data_4MGP
# 
_entry.id   4MGP 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.036 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB  4MGP       
RCSB RCSB081888 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.mod_type 
_database_PDB_rev.replaces 
_database_PDB_rev.status 
1 2013-10-16 2013-08-28 0 4MGP ? 
2 2013-10-23 ?          1 4MGP ? 
3 2013-11-06 ?          1 4MGP ? 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 JRNL ? 
3 JRNL ? 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
PDB 2MAG 'NMR STRUCTURE OF MAGAININ 2 IN DPC MICELLES'                            unspecified 
PDB 1DUM 'NMR STRUCTURE OF [F5Y, F16W] MAGAININ 2 BOUND TO PHOSPHOLIPID VESICLES' unspecified 
# 
_pdbx_database_status.entry_id                       4MGP 
_pdbx_database_status.deposit_site                   RCSB 
_pdbx_database_status.process_site                   RCSB 
_pdbx_database_status.status_code                    REL 
_pdbx_database_status.SG_entry                       ? 
_pdbx_database_status.status_code_cs                 ? 
_pdbx_database_status.methods_development_category   ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Hayouka, Z.'     1 
'Mortenson, D.E.' 2 
'Kreitler, D.F.'  3 
'Weisblum, B.'    4 
'Gellman, S.H.'   5 
'Forest, K.T.'    6 
# 
_citation.id                        primary 
_citation.title                     
'Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue.' 
_citation.journal_abbrev            J.Am.Chem.Soc. 
_citation.journal_volume            135 
_citation.page_first                15738 
_citation.page_last                 15741 
_citation.year                      2013 
_citation.journal_id_ASTM           JACSAT 
_citation.country                   US 
_citation.journal_id_ISSN           0002-7863 
_citation.journal_id_CSD            0004 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   24102563 
_citation.pdbx_database_id_DOI      10.1021/ja409082w 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Hayouka, Z.'     1 
primary 'Mortenson, D.E.' 2 
primary 'Kreitler, D.F.'  3 
primary 'Weisblum, B.'    4 
primary 'Forest, K.T.'    5 
primary 'Gellman, S.H.'   6 
# 
_cell.length_a           53.380 
_cell.length_b           53.459 
_cell.length_c           29.750 
_cell.angle_alpha        89.970 
_cell.angle_beta         90.070 
_cell.angle_gamma        89.980 
_cell.entry_id           4MGP 
_cell.pdbx_unique_axis   ? 
_cell.Z_PDB              16 
_cell.length_a_esd       ? 
_cell.length_b_esd       ? 
_cell.length_c_esd       ? 
_cell.angle_alpha_esd    ? 
_cell.angle_beta_esd     ? 
_cell.angle_gamma_esd    ? 
# 
_symmetry.space_group_name_H-M             'I -4 2 d' 
_symmetry.entry_id                         4MGP 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.Int_Tables_number                ? 
_symmetry.cell_setting                     ? 
_symmetry.space_group_name_Hall            ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.details 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.pdbx_ec 
1 polymer syn 'Magainin 2 Derivative' 2484.013 1 ? 'S8A, G13A, G18A' 'UNP residues 83-105' ? 
2 water   nat water                   18.015   5 ? ?                 ?                     ? 
# 
loop_
_entity_keywords.entity_id 
_entity_keywords.text 
1 ? 
2 ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       GIGKFLHAAKKFAKAFVAEIMNS 
_entity_poly.pdbx_seq_one_letter_code_can   GIGKFLHAAKKFAKAFVAEIMNS 
_entity_poly.pdbx_strand_id                 A 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  ILE n 
1 3  GLY n 
1 4  LYS n 
1 5  PHE n 
1 6  LEU n 
1 7  HIS n 
1 8  ALA n 
1 9  ALA n 
1 10 LYS n 
1 11 LYS n 
1 12 PHE n 
1 13 ALA n 
1 14 LYS n 
1 15 ALA n 
1 16 PHE n 
1 17 VAL n 
1 18 ALA n 
1 19 GLU n 
1 20 ILE n 
1 21 MET n 
1 22 ASN n 
1 23 SER n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.organism_scientific    'Xenopus laevis' 
_pdbx_entity_src_syn.organism_common_name   'clawed frog,common platanna,platanna' 
_pdbx_entity_src_syn.ncbi_taxonomy_id       8355 
_pdbx_entity_src_syn.details                ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    MAGA_XENLA 
_struct_ref.pdbx_db_accession          P11006 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   GIGKFLHSAKKFGKAFVGEIMNS 
_struct_ref.pdbx_align_begin           83 
_struct_ref.biol_id                    . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              4MGP 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 23 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P11006 
_struct_ref_seq.db_align_beg                  83 
_struct_ref_seq.db_align_end                  105 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       23 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 4MGP ALA A 8  ? UNP P11006 SER 90  'SEE REMARK 999' 8  1 
1 4MGP ALA A 13 ? UNP P11006 GLY 95  'SEE REMARK 999' 13 2 
1 4MGP ALA A 18 ? UNP P11006 GLY 100 'SEE REMARK 999' 18 3 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
GLY 'PEPTIDE LINKING'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.174 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.197 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.191 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.174 
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.164 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.094  
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.147 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.130 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.207 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.119 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
HOH NON-POLYMER         . WATER           ? 'H2 O'           18.015  
# 
_exptl.crystals_number   1 
_exptl.entry_id          4MGP 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_Matthews      2.14 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_percent_sol   42.42 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.pH              5.6 
_exptl_crystal_grow.temp            298 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_details    
;Precipitant solution contained 0.1 M sodium citrate tribasic, pH 5.6, and 35% v/v tert-butanol. No additional cryoprotectant was necessary for vitrification of crystals in LN2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
;
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               CCD 
_diffrn_detector.type                   'MARMOSAIC 300 mm CCD' 
_diffrn_detector.pdbx_collection_date   2013-06-23 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.monochromator                    'C(111)' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9786 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'APS BEAMLINE 21-ID-G' 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        0.9786 
_diffrn_source.pdbx_synchrotron_site       APS 
_diffrn_source.pdbx_synchrotron_beamline   21-ID-G 
# 
_reflns.entry_id                     4MGP 
_reflns.d_resolution_high            1.75 
_reflns.d_resolution_low             26.72 
_reflns.number_obs                   2247 
_reflns.pdbx_Rmerge_I_obs            0.092 
_reflns.pdbx_netI_over_sigmaI        32.170 
_reflns.pdbx_redundancy              22.400 
_reflns.percent_possible_obs         95.400 
_reflns.observed_criterion_sigma_F   ? 
_reflns.observed_criterion_sigma_I   ? 
_reflns.number_all                   ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.B_iso_Wilson_estimate        26.4 
_reflns.R_free_details               ? 
_reflns.limit_h_max                  ? 
_reflns.limit_h_min                  ? 
_reflns.limit_k_max                  ? 
_reflns.limit_k_min                  ? 
_reflns.limit_l_max                  ? 
_reflns.limit_l_min                  ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.number_unique_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
1.750 1.790 ? ? 74  0.374 3.90  ? ? 4.800  ? ? 64.300  1  1 
1.790 1.840 ? ? 128 0.303 4.64  ? ? 7.850  ? ? 76.200  2  1 
1.840 1.890 ? ? 133 0.268 7.96  ? ? 11.390 ? ? 85.800  3  1 
1.890 1.940 ? ? 139 0.243 12.39 ? ? 17.740 ? ? 99.300  4  1 
1.940 1.990 ? ? 121 0.231 15.06 ? ? 23.420 ? ? 100.000 5  1 
1.990 2.040 ? ? 117 0.187 18.87 ? ? 25.450 ? ? 99.200  6  1 
2.040 2.100 ? ? 123 0.166 25.37 ? ? 26.980 ? ? 100.000 7  1 
2.100 2.170 ? ? 129 0.135 28.81 ? ? 27.350 ? ? 100.000 8  1 
2.170 2.250 ? ? 125 0.120 30.86 ? ? 27.630 ? ? 100.000 9  1 
2.250 2.340 ? ? 121 0.111 40.81 ? ? 27.910 ? ? 100.000 10 1 
2.340 2.440 ? ? 119 0.112 43.70 ? ? 27.420 ? ? 100.000 11 1 
2.440 2.550 ? ? 113 0.103 42.23 ? ? 27.280 ? ? 100.000 12 1 
2.550 2.700 ? ? 118 0.096 46.52 ? ? 27.860 ? ? 100.000 13 1 
2.700 2.890 ? ? 117 0.082 51.50 ? ? 27.550 ? ? 100.000 14 1 
2.890 3.120 ? ? 114 0.087 49.94 ? ? 26.800 ? ? 100.000 15 1 
3.120 3.460 ? ? 115 0.085 54.72 ? ? 26.710 ? ? 100.000 16 1 
3.460 4.010 ? ? 114 0.088 52.55 ? ? 25.730 ? ? 100.000 17 1 
4.010 5.110 ? ? 113 0.078 46.58 ? ? 24.610 ? ? 100.000 18 1 
5.110 26.72 ? ? 114 0.091 37.11 ? ? 20.760 ? ? 97.400  19 1 
# 
_computing.entry_id                           4MGP 
_computing.pdbx_data_reduction_ii             DENZO 
_computing.pdbx_data_reduction_ds             SCALEPACK 
_computing.data_collection                    'EMBL MD-2' 
_computing.structure_solution                 PHASER 
_computing.structure_refinement               'REFMAC 5.7.0029' 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               4MGP 
_refine.ls_d_res_high                          1.75 
_refine.ls_d_res_low                           26.69 
_refine.pdbx_ls_sigma_F                        ? 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.ls_percent_reflns_obs                  95.42 
_refine.ls_number_reflns_obs                   2169 
_refine.ls_number_reflns_all                   2169 
_refine.pdbx_ls_cross_valid_method             THROUGHOUT 
_refine.pdbx_R_Free_selection_details          RANDOM 
_refine.details                                'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.ls_R_factor_all                        ? 
_refine.ls_R_factor_obs                        0.1983 
_refine.ls_R_factor_R_work                     0.1965 
_refine.ls_wR_factor_R_work                    0.2232 
_refine.ls_R_factor_R_free                     0.2328 
_refine.ls_wR_factor_R_free                    0.2748 
_refine.ls_percent_reflns_R_free               4.4000 
_refine.ls_number_reflns_R_free                95 
_refine.ls_R_factor_R_free_error               ? 
_refine.B_iso_mean                             31.59 
_refine.solvent_model_param_bsol               ? 
_refine.solvent_model_param_ksol               ? 
_refine.pdbx_isotropic_thermal_model           ? 
_refine.aniso_B[1][1]                          -0.6300 
_refine.aniso_B[2][2]                          -0.6300 
_refine.aniso_B[3][3]                          1.2700 
_refine.aniso_B[1][2]                          0.0000 
_refine.aniso_B[1][3]                          -0.0000 
_refine.aniso_B[2][3]                          0.0000 
_refine.correlation_coeff_Fo_to_Fc             0.9680 
_refine.correlation_coeff_Fo_to_Fc_free        0.9590 
_refine.overall_SU_R_Cruickshank_DPI           0.1255 
_refine.overall_SU_R_free                      0.1213 
_refine.pdbx_overall_ESU_R                     0.1250 
_refine.pdbx_overall_ESU_R_Free                0.1210 
_refine.overall_SU_ML                          0.0860 
_refine.overall_SU_B                           3.4150 
_refine.solvent_model_details                  MASK 
_refine.pdbx_solvent_vdw_probe_radii           1.2000 
_refine.pdbx_solvent_ion_probe_radii           0.8000 
_refine.pdbx_solvent_shrinkage_radii           0.8000 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.pdbx_starting_model                    'PDB entry 2MAG' 
_refine.pdbx_method_to_determine_struct        'MOLECULAR REPLACEMENT' 
_refine.pdbx_stereochemistry_target_values     'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.overall_FOM_work_R_set                 0.6576 
_refine.B_iso_max                              79.780 
_refine.B_iso_min                              17.490 
_refine.pdbx_overall_phase_error               ? 
_refine.occupancy_max                          1.000 
_refine.occupancy_min                          0.500 
_refine.pdbx_ls_sigma_I                        ? 
_refine.ls_redundancy_reflns_obs               ? 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.overall_FOM_free_R_set                 ? 
_refine.pdbx_diffrn_id                         1 
_refine.pdbx_refine_id                         'X-RAY DIFFRACTION' 
# 
_refine_analyze.entry_id                        4MGP 
_refine_analyze.Luzzati_coordinate_error_obs    0.086 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        163 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             5 
_refine_hist.number_atoms_total               168 
_refine_hist.d_res_high                       1.75 
_refine_hist.d_res_low                        26.69 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
_refine_ls_restr.pdbx_refine_id 
r_bond_refined_d       172 0.023  0.019  ? ? 'X-RAY DIFFRACTION' 
r_bond_other_d         176 0.001  0.020  ? ? 'X-RAY DIFFRACTION' 
r_angle_refined_deg    230 2.430  1.915  ? ? 'X-RAY DIFFRACTION' 
r_angle_other_deg      400 1.189  3.000  ? ? 'X-RAY DIFFRACTION' 
r_dihedral_angle_1_deg 23  5.806  5.000  ? ? 'X-RAY DIFFRACTION' 
r_dihedral_angle_2_deg 6   38.848 23.333 ? ? 'X-RAY DIFFRACTION' 
r_dihedral_angle_3_deg 30  16.790 15.000 ? ? 'X-RAY DIFFRACTION' 
r_chiral_restr         25  0.165  0.200  ? ? 'X-RAY DIFFRACTION' 
r_gen_planes_refined   195 0.012  0.020  ? ? 'X-RAY DIFFRACTION' 
r_gen_planes_other     43  0.001  0.020  ? ? 'X-RAY DIFFRACTION' 
# 
_refine_ls_shell.d_res_high                       1.7500 
_refine_ls_shell.d_res_low                        1.8440 
_refine_ls_shell.pdbx_total_number_of_bins_used   10 
_refine_ls_shell.percent_reflns_obs               73.3700 
_refine_ls_shell.number_reflns_R_work             228 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3380 
_refine_ls_shell.R_factor_R_free                  0.3650 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             9 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                237 
_refine_ls_shell.number_reflns_obs                228 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  4MGP 
_struct.title                     'Structure of racemic Ala-(8,13,18) Magainin 2' 
_struct.pdbx_descriptor           'Magainin 2 Derivative' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        4MGP 
_struct_keywords.pdbx_keywords   'ANTIMICROBIAL PROTEIN' 
_struct_keywords.text            'phenylalanine zipper, antimicrobial protein' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_struct_biol.id        1 
_struct_biol.details   ? 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       1 
_struct_conf.beg_label_comp_id       GLY 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        1 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       MET 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        21 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        GLY 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         1 
_struct_conf.end_auth_comp_id        MET 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         21 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   21 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_atom_sites.entry_id                    4MGP 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.018734 
_atom_sites.fract_transf_matrix[1][2]   -0.000007 
_atom_sites.fract_transf_matrix[1][3]   0.000022 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.018706 
_atom_sites.fract_transf_matrix[2][3]   -0.000009 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   -0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.033613 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . GLY A 1 1  ? -10.159 7.612   -9.487  1.00 50.82 ? ? ? ? ? ?  1   GLY A N   1 
ATOM   2   C CA  . GLY A 1 1  ? -10.992 7.591   -8.225  1.00 46.74 ? ? ? ? ? ?  1   GLY A CA  1 
ATOM   3   C C   . GLY A 1 1  ? -10.981 6.169   -7.717  1.00 41.46 ? ? ? ? ? ?  1   GLY A C   1 
ATOM   4   O O   . GLY A 1 1  ? -9.951  5.538   -7.722  1.00 39.16 ? ? ? ? ? ?  1   GLY A O   1 
ATOM   5   N N   . ILE A 1 2  ? -12.140 5.640   -7.360  1.00 40.47 ? ? ? ? ? ?  2   ILE A N   1 
ATOM   6   C CA  . ILE A 1 2  ? -12.235 4.346   -6.712  1.00 34.61 ? ? ? ? ? ?  2   ILE A CA  1 
ATOM   7   C C   . ILE A 1 2  ? -11.571 3.202   -7.473  1.00 32.20 ? ? ? ? ? ?  2   ILE A C   1 
ATOM   8   O O   . ILE A 1 2  ? -10.861 2.404   -6.866  1.00 31.27 ? ? ? ? ? ?  2   ILE A O   1 
ATOM   9   C CB  . ILE A 1 2  ? -13.711 4.022   -6.384  1.00 37.03 ? ? ? ? ? ?  2   ILE A CB  1 
ATOM   10  C CG1 . ILE A 1 2  ? -14.156 4.902   -5.234  1.00 39.71 ? ? ? ? ? ?  2   ILE A CG1 1 
ATOM   11  C CG2 . ILE A 1 2  ? -13.858 2.598   -5.905  1.00 36.86 ? ? ? ? ? ?  2   ILE A CG2 1 
ATOM   12  C CD1 . ILE A 1 2  ? -15.661 5.025   -5.095  1.00 46.12 ? ? ? ? ? ?  2   ILE A CD1 1 
ATOM   13  N N   . GLY A 1 3  ? -11.804 3.101   -8.779  1.00 27.71 ? ? ? ? ? ?  3   GLY A N   1 
ATOM   14  C CA  . GLY A 1 3  ? -11.387 1.961   -9.508  1.00 26.87 ? ? ? ? ? ?  3   GLY A CA  1 
ATOM   15  C C   . GLY A 1 3  ? -9.900  2.020   -9.551  1.00 28.37 ? ? ? ? ? ?  3   GLY A C   1 
ATOM   16  O O   . GLY A 1 3  ? -9.218  0.995   -9.439  1.00 30.31 ? ? ? ? ? ?  3   GLY A O   1 
ATOM   17  N N   . LYS A 1 4  ? -9.392  3.227   -9.709  1.00 31.40 ? ? ? ? ? ?  4   LYS A N   1 
ATOM   18  C CA  . LYS A 1 4  ? -7.963  3.438   -9.877  1.00 32.73 ? ? ? ? ? ?  4   LYS A CA  1 
ATOM   19  C C   . LYS A 1 4  ? -7.223  3.095   -8.562  1.00 26.75 ? ? ? ? ? ?  4   LYS A C   1 
ATOM   20  O O   . LYS A 1 4  ? -6.246  2.341   -8.559  1.00 25.38 ? ? ? ? ? ?  4   LYS A O   1 
ATOM   21  C CB  . LYS A 1 4  ? -7.684  4.875   -10.334 1.00 38.49 ? ? ? ? ? ?  4   LYS A CB  1 
ATOM   22  C CG  . LYS A 1 4  ? -6.228  5.031   -10.745 1.00 48.01 ? ? ? ? ? ?  4   LYS A CG  1 
ATOM   23  C CD  . LYS A 1 4  ? -5.975  6.172   -11.726 1.00 58.92 ? ? ? ? ? ?  4   LYS A CD  1 
ATOM   24  C CE  . LYS A 1 4  ? -4.816  5.819   -12.696 1.00 75.07 ? ? ? ? ? ?  4   LYS A CE  1 
ATOM   25  N NZ  . LYS A 1 4  ? -4.800  6.445   -14.070 1.00 79.78 ? ? ? ? ? ?  4   LYS A NZ  1 
ATOM   26  N N   . PHE A 1 5  ? -7.769  3.599   -7.474  1.00 26.09 ? ? ? ? ? ?  5   PHE A N   1 
ATOM   27  C CA  . PHE A 1 5  ? -7.300  3.325   -6.135  1.00 23.41 ? ? ? ? ? ?  5   PHE A CA  1 
ATOM   28  C C   . PHE A 1 5  ? -7.240  1.840   -5.845  1.00 21.39 ? ? ? ? ? ?  5   PHE A C   1 
ATOM   29  O O   . PHE A 1 5  ? -6.244  1.302   -5.411  1.00 20.97 ? ? ? ? ? ?  5   PHE A O   1 
ATOM   30  C CB  . PHE A 1 5  ? -8.280  3.970   -5.259  1.00 24.63 ? ? ? ? ? ?  5   PHE A CB  1 
ATOM   31  C CG  . PHE A 1 5  ? -7.939  3.858   -3.840  1.00 28.10 ? ? ? ? ? ?  5   PHE A CG  1 
ATOM   32  C CD1 . PHE A 1 5  ? -7.264  4.859   -3.223  1.00 30.16 ? ? ? ? ? ?  5   PHE A CD1 1 
ATOM   33  C CD2 . PHE A 1 5  ? -8.266  2.719   -3.144  1.00 30.40 ? ? ? ? ? ?  5   PHE A CD2 1 
ATOM   34  C CE1 . PHE A 1 5  ? -6.972  4.773   -1.909  1.00 34.19 ? ? ? ? ? ?  5   PHE A CE1 1 
ATOM   35  C CE2 . PHE A 1 5  ? -7.945  2.577   -1.816  1.00 34.48 ? ? ? ? ? ?  5   PHE A CE2 1 
ATOM   36  C CZ  . PHE A 1 5  ? -7.300  3.628   -1.187  1.00 36.50 ? ? ? ? ? ?  5   PHE A CZ  1 
ATOM   37  N N   . LEU A 1 6  ? -8.326  1.143   -6.152  1.00 22.97 ? ? ? ? ? ?  6   LEU A N   1 
ATOM   38  C CA  . LEU A 1 6  ? -8.409  -0.297  -5.945  1.00 22.76 ? ? ? ? ? ?  6   LEU A CA  1 
ATOM   39  C C   . LEU A 1 6  ? -7.478  -1.083  -6.802  1.00 21.27 ? ? ? ? ? ?  6   LEU A C   1 
ATOM   40  O O   . LEU A 1 6  ? -6.869  -2.058  -6.329  1.00 22.68 ? ? ? ? ? ?  6   LEU A O   1 
ATOM   41  C CB  . LEU A 1 6  ? -9.868  -0.808  -6.097  1.00 27.28 ? ? ? ? ? ?  6   LEU A CB  1 
ATOM   42  C CG  . LEU A 1 6  ? -10.875 -0.278  -5.067  1.00 26.98 ? ? ? ? ? ?  6   LEU A CG  1 
ATOM   43  C CD1 . LEU A 1 6  ? -12.222 -0.669  -5.598  1.00 30.02 ? ? ? ? ? ?  6   LEU A CD1 1 
ATOM   44  C CD2 . LEU A 1 6  ? -10.629 -0.784  -3.647  1.00 29.73 ? ? ? ? ? ?  6   LEU A CD2 1 
ATOM   45  N N   . HIS A 1 7  ? -7.326  -0.677  -8.056  1.00 24.41 ? ? ? ? ? ?  7   HIS A N   1 
ATOM   46  C CA  . HIS A 1 7  ? -6.365  -1.350  -8.905  1.00 27.15 ? ? ? ? ? ?  7   HIS A CA  1 
ATOM   47  C C   . HIS A 1 7  ? -4.921  -1.135  -8.404  1.00 21.80 ? ? ? ? ? ?  7   HIS A C   1 
ATOM   48  O O   . HIS A 1 7  ? -4.163  -2.109  -8.258  1.00 22.51 ? ? ? ? ? ?  7   HIS A O   1 
ATOM   49  C CB  . HIS A 1 7  ? -6.658  -1.045  -10.361 1.00 31.74 ? ? ? ? ? ?  7   HIS A CB  1 
ATOM   50  C CG  . HIS A 1 7  ? -8.006  -1.602  -10.778 1.00 47.16 ? ? ? ? ? ?  7   HIS A CG  1 
ATOM   51  N ND1 . HIS A 1 7  ? -9.117  -0.811  -11.018 1.00 56.02 ? ? ? ? ? ?  7   HIS A ND1 1 
ATOM   52  C CD2 . HIS A 1 7  ? -8.452  -2.883  -10.868 1.00 54.82 ? ? ? ? ? ?  7   HIS A CD2 1 
ATOM   53  C CE1 . HIS A 1 7  ? -10.158 -1.567  -11.319 1.00 51.05 ? ? ? ? ? ?  7   HIS A CE1 1 
ATOM   54  N NE2 . HIS A 1 7  ? -9.788  -2.828  -11.212 1.00 55.44 ? ? ? ? ? ?  7   HIS A NE2 1 
ATOM   55  N N   . ALA A 1 8  ? -4.599  0.084   -8.002  1.00 21.77 ? ? ? ? ? ?  8   ALA A N   1 
ATOM   56  C CA  . ALA A 1 8  ? -3.303  0.373   -7.426  1.00 20.10 ? ? ? ? ? ?  8   ALA A CA  1 
ATOM   57  C C   . ALA A 1 8  ? -3.066  -0.358  -6.167  1.00 19.52 ? ? ? ? ? ?  8   ALA A C   1 
ATOM   58  O O   . ALA A 1 8  ? -2.029  -0.974  -5.995  1.00 19.89 ? ? ? ? ? ?  8   ALA A O   1 
ATOM   59  C CB  . ALA A 1 8  ? -3.204  1.833   -7.212  1.00 20.17 ? ? ? ? ? ?  8   ALA A CB  1 
ATOM   60  N N   . ALA A 1 9  ? -4.049  -0.396  -5.294  1.00 21.10 ? ? ? ? ? ?  9   ALA A N   1 
ATOM   61  C CA  . ALA A 1 9  ? -3.902  -1.267  -4.136  1.00 21.18 ? ? ? ? ? ?  9   ALA A CA  1 
ATOM   62  C C   . ALA A 1 9  ? -3.679  -2.737  -4.392  1.00 20.22 ? ? ? ? ? ?  9   ALA A C   1 
ATOM   63  O O   . ALA A 1 9  ? -2.893  -3.336  -3.749  1.00 20.22 ? ? ? ? ? ?  9   ALA A O   1 
ATOM   64  C CB  . ALA A 1 9  ? -5.108  -1.111  -3.202  1.00 24.47 ? ? ? ? ? ?  9   ALA A CB  1 
ATOM   65  N N   . LYS A 1 10 ? -4.368  -3.336  -5.315  1.00 20.67 ? ? ? ? ? ?  10  LYS A N   1 
ATOM   66  C CA  . LYS A 1 10 ? -4.154  -4.692  -5.635  1.00 21.61 ? ? ? ? ? ?  10  LYS A CA  1 
ATOM   67  C C   . LYS A 1 10 ? -2.795  -5.003  -6.194  1.00 21.79 ? ? ? ? ? ?  10  LYS A C   1 
ATOM   68  O O   . LYS A 1 10 ? -2.161  -5.945  -5.772  1.00 24.12 ? ? ? ? ? ?  10  LYS A O   1 
ATOM   69  C CB  . LYS A 1 10 ? -5.174  -5.075  -6.634  1.00 24.39 ? ? ? ? ? ?  10  LYS A CB  1 
ATOM   70  C CG  . LYS A 1 10 ? -5.130  -6.541  -6.816  1.00 26.69 ? ? ? ? ? ?  10  LYS A CG  1 
ATOM   71  C CD  . LYS A 1 10 ? -6.138  -6.944  -7.789  1.00 33.14 ? ? ? ? ? ?  10  LYS A CD  1 
ATOM   72  C CE  . LYS A 1 10 ? -6.252  -8.447  -7.761  1.00 39.28 ? ? ? ? ? ?  10  LYS A CE  1 
ATOM   73  N NZ  . LYS A 1 10 ? -6.976  -8.762  -9.015  1.00 47.44 ? ? ? ? ? ?  10  LYS A NZ  1 
ATOM   74  N N   . LYS A 1 11 ? -2.347  -4.185  -7.120  1.00 23.36 ? ? ? ? ? ?  11  LYS A N   1 
ATOM   75  C CA  . LYS A 1 11 ? -1.054  -4.281  -7.797  1.00 24.62 ? ? ? ? ? ?  11  LYS A CA  1 
ATOM   76  C C   . LYS A 1 11 ? 0.059   -4.221  -6.718  1.00 21.91 ? ? ? ? ? ?  11  LYS A C   1 
ATOM   77  O O   . LYS A 1 11 ? 0.990   -5.017  -6.750  1.00 21.68 ? ? ? ? ? ?  11  LYS A O   1 
ATOM   78  C CB  . LYS A 1 11 ? -0.999  -3.115  -8.836  1.00 29.36 ? ? ? ? ? ?  11  LYS A CB  1 
ATOM   79  C CG  . LYS A 1 11 ? -0.052  -3.105  -10.037 1.00 40.55 ? ? ? ? ? ?  11  LYS A CG  1 
ATOM   80  C CD  . LYS A 1 11 ? 0.520   -1.675  -10.369 1.00 43.07 ? ? ? ? ? ?  11  LYS A CD  1 
ATOM   81  N N   . PHE A 1 12 ? -0.060  -3.323  -5.723  1.00 20.73 ? ? ? ? ? ?  12  PHE A N   1 
ATOM   82  C CA  . PHE A 1 12 ? 0.839   -3.255  -4.581  1.00 18.71 ? ? ? ? ? ?  12  PHE A CA  1 
ATOM   83  C C   . PHE A 1 12 ? 0.780   -4.492  -3.720  1.00 18.85 ? ? ? ? ? ?  12  PHE A C   1 
ATOM   84  O O   . PHE A 1 12 ? 1.819   -5.020  -3.345  1.00 18.10 ? ? ? ? ? ?  12  PHE A O   1 
ATOM   85  C CB  . PHE A 1 12 ? 0.730   -1.953  -3.712  1.00 19.58 ? ? ? ? ? ?  12  PHE A CB  1 
ATOM   86  C CG  . PHE A 1 12 ? 1.533   -2.048  -2.439  1.00 17.49 ? ? ? ? ? ?  12  PHE A CG  1 
ATOM   87  C CD1 . PHE A 1 12 ? 2.865   -2.038  -2.494  1.00 19.32 ? ? ? ? ? ?  12  PHE A CD1 1 
ATOM   88  C CD2 . PHE A 1 12 ? 0.918   -2.294  -1.209  1.00 19.72 ? ? ? ? ? ?  12  PHE A CD2 1 
ATOM   89  C CE1 . PHE A 1 12 ? 3.601   -2.249  -1.324  1.00 21.68 ? ? ? ? ? ?  12  PHE A CE1 1 
ATOM   90  C CE2 . PHE A 1 12 ? 1.617   -2.490  -0.063  1.00 21.36 ? ? ? ? ? ?  12  PHE A CE2 1 
ATOM   91  C CZ  . PHE A 1 12 ? 2.971   -2.452  -0.117  1.00 20.35 ? ? ? ? ? ?  12  PHE A CZ  1 
ATOM   92  N N   . ALA A 1 13 ? -0.419  -4.937  -3.369  1.00 21.51 ? ? ? ? ? ?  13  ALA A N   1 
ATOM   93  C CA  . ALA A 1 13 ? -0.581  -6.119  -2.572  1.00 22.04 ? ? ? ? ? ?  13  ALA A CA  1 
ATOM   94  C C   . ALA A 1 13 ? 0.038   -7.356  -3.291  1.00 22.17 ? ? ? ? ? ?  13  ALA A C   1 
ATOM   95  O O   . ALA A 1 13 ? 0.689   -8.161  -2.610  1.00 20.82 ? ? ? ? ? ?  13  ALA A O   1 
ATOM   96  C CB  . ALA A 1 13 ? -2.050  -6.313  -2.259  1.00 21.67 ? ? ? ? ? ?  13  ALA A CB  1 
ATOM   97  N N   . LYS A 1 14 ? -0.163  -7.490  -4.611  1.00 22.65 ? ? ? ? ? ?  14  LYS A N   1 
ATOM   98  C CA  . LYS A 1 14 ? 0.439   -8.597  -5.367  1.00 23.65 ? ? ? ? ? ?  14  LYS A CA  1 
ATOM   99  C C   . LYS A 1 14 ? 1.990   -8.557  -5.326  1.00 23.32 ? ? ? ? ? ?  14  LYS A C   1 
ATOM   100 O O   . LYS A 1 14 ? 2.639   -9.531  -5.039  1.00 26.77 ? ? ? ? ? ?  14  LYS A O   1 
ATOM   101 C CB  . LYS A 1 14 ? -0.092  -8.630  -6.799  1.00 26.85 ? ? ? ? ? ?  14  LYS A CB  1 
ATOM   102 N N   . ALA A 1 15 ? 2.587   -7.404  -5.476  1.00 22.30 ? ? ? ? ? ?  15  ALA A N   1 
ATOM   103 C CA  . ALA A 1 15 ? 4.015   -7.259  -5.339  1.00 22.46 ? ? ? ? ? ?  15  ALA A CA  1 
ATOM   104 C C   . ALA A 1 15 ? 4.571   -7.480  -3.966  1.00 21.89 ? ? ? ? ? ?  15  ALA A C   1 
ATOM   105 O O   . ALA A 1 15 ? 5.651   -8.040  -3.815  1.00 22.22 ? ? ? ? ? ?  15  ALA A O   1 
ATOM   106 C CB  . ALA A 1 15 ? 4.418   -5.877  -5.875  1.00 22.25 ? ? ? ? ? ?  15  ALA A CB  1 
ATOM   107 N N   . PHE A 1 16 ? 3.838   -7.014  -2.959  1.00 23.05 ? ? ? ? ? ?  16  PHE A N   1 
ATOM   108 C CA  . PHE A 1 16 ? 4.177   -7.221  -1.589  1.00 21.92 ? ? ? ? ? ?  16  PHE A CA  1 
ATOM   109 C C   . PHE A 1 16 ? 4.304   -8.743  -1.232  1.00 23.39 ? ? ? ? ? ?  16  PHE A C   1 
ATOM   110 O O   . PHE A 1 16 ? 5.242   -9.199  -0.522  1.00 22.87 ? ? ? ? ? ?  16  PHE A O   1 
ATOM   111 C CB  . PHE A 1 16 ? 3.181   -6.545  -0.573  1.00 22.47 ? ? ? ? ? ?  16  PHE A CB  1 
ATOM   112 C CG  . PHE A 1 16 ? 3.613   -6.768  0.878   1.00 23.02 ? ? ? ? ? ?  16  PHE A CG  1 
ATOM   113 C CD1 . PHE A 1 16 ? 4.703   -6.045  1.405   1.00 23.60 ? ? ? ? ? ?  16  PHE A CD1 1 
ATOM   114 C CD2 . PHE A 1 16 ? 3.047   -7.754  1.639   1.00 21.72 ? ? ? ? ? ?  16  PHE A CD2 1 
ATOM   115 C CE1 . PHE A 1 16 ? 5.186   -6.279  2.639   1.00 23.50 ? ? ? ? ? ?  16  PHE A CE1 1 
ATOM   116 C CE2 . PHE A 1 16 ? 3.555   -7.993  2.879   1.00 23.86 ? ? ? ? ? ?  16  PHE A CE2 1 
ATOM   117 C CZ  . PHE A 1 16 ? 4.619   -7.258  3.381   1.00 23.82 ? ? ? ? ? ?  16  PHE A CZ  1 
ATOM   118 N N   . VAL A 1 17 ? 3.292   -9.488  -1.664  1.00 26.09 ? ? ? ? ? ?  17  VAL A N   1 
ATOM   119 C CA  . VAL A 1 17 ? 3.212   -10.938 -1.374  1.00 31.03 ? ? ? ? ? ?  17  VAL A CA  1 
ATOM   120 C C   . VAL A 1 17 ? 4.377   -11.669 -2.131  1.00 30.50 ? ? ? ? ? ?  17  VAL A C   1 
ATOM   121 O O   . VAL A 1 17 ? 5.153   -12.393 -1.473  1.00 31.91 ? ? ? ? ? ?  17  VAL A O   1 
ATOM   122 C CB  . VAL A 1 17 ? 1.794   -11.473 -1.712  1.00 28.89 ? ? ? ? ? ?  17  VAL A CB  1 
ATOM   123 C CG1 . VAL A 1 17 ? 1.788   -12.966 -1.975  1.00 31.96 ? ? ? ? ? ?  17  VAL A CG1 1 
ATOM   124 C CG2 . VAL A 1 17 ? 0.831   -11.103 -0.598  1.00 28.33 ? ? ? ? ? ?  17  VAL A CG2 1 
ATOM   125 N N   . ALA A 1 18 ? 4.535   -11.351 -3.427  1.00 29.41 ? ? ? ? ? ?  18  ALA A N   1 
ATOM   126 C CA  . ALA A 1 18 ? 5.643   -11.816 -4.258  1.00 28.55 ? ? ? ? ? ?  18  ALA A CA  1 
ATOM   127 C C   . ALA A 1 18 ? 6.988   -11.545 -3.589  1.00 31.60 ? ? ? ? ? ?  18  ALA A C   1 
ATOM   128 O O   . ALA A 1 18 ? 7.757   -12.477 -3.336  1.00 35.43 ? ? ? ? ? ?  18  ALA A O   1 
ATOM   129 C CB  . ALA A 1 18 ? 5.540   -11.258 -5.699  1.00 27.60 ? ? ? ? ? ?  18  ALA A CB  1 
ATOM   130 N N   . GLU A 1 19 ? 7.265   -10.309 -3.190  1.00 31.34 ? ? ? ? ? ?  19  GLU A N   1 
ATOM   131 C CA  . GLU A 1 19 ? 8.443   -10.063 -2.345  1.00 33.74 ? ? ? ? ? ?  19  GLU A CA  1 
ATOM   132 C C   . GLU A 1 19 ? 8.597   -10.928 -1.068  1.00 31.95 ? ? ? ? ? ?  19  GLU A C   1 
ATOM   133 O O   . GLU A 1 19 ? 9.676   -11.394 -0.856  1.00 34.09 ? ? ? ? ? ?  19  GLU A O   1 
ATOM   134 C CB  . GLU A 1 19 ? 8.604   -8.526  -2.046  1.00 34.90 ? ? ? ? ? ?  19  GLU A CB  1 
ATOM   135 C CG  . GLU A 1 19 ? 9.405   -8.149  -0.803  1.00 41.17 ? ? ? ? ? ?  19  GLU A CG  1 
ATOM   136 C CD  . GLU A 1 19 ? 10.916  -8.212  -1.027  1.00 46.31 ? ? ? ? ? ?  19  GLU A CD  1 
ATOM   137 O OE1 . GLU A 1 19 ? 11.230  -8.266  -2.248  1.00 42.81 ? ? ? ? ? ?  19  GLU A OE1 1 
ATOM   138 O OE2 . GLU A 1 19 ? 11.744  -8.159  -0.017  1.00 45.66 ? ? ? ? ? -1 19  GLU A OE2 1 
ATOM   139 N N   . ILE A 1 20 ? 7.600   -11.104 -0.196  1.00 33.26 ? ? ? ? ? ?  20  ILE A N   1 
ATOM   140 C CA  . ILE A 1 20 ? 7.810   -11.877 1.056   1.00 33.39 ? ? ? ? ? ?  20  ILE A CA  1 
ATOM   141 C C   . ILE A 1 20 ? 7.879   -13.425 0.839   1.00 33.62 ? ? ? ? ? ?  20  ILE A C   1 
ATOM   142 O O   . ILE A 1 20 ? 8.498   -14.197 1.621   1.00 32.84 ? ? ? ? ? ?  20  ILE A O   1 
ATOM   143 C CB  . ILE A 1 20 ? 6.800   -11.579 2.183   1.00 32.13 ? ? ? ? ? ?  20  ILE A CB  1 
ATOM   144 C CG1 . ILE A 1 20 ? 5.393   -11.934 1.776   1.00 32.72 ? ? ? ? ? ?  20  ILE A CG1 1 
ATOM   145 C CG2 . ILE A 1 20 ? 6.981   -10.182 2.743   1.00 35.17 ? ? ? ? ? ?  20  ILE A CG2 1 
ATOM   146 C CD1 . ILE A 1 20 ? 4.442   -11.838 2.962   1.00 34.78 ? ? ? ? ? ?  20  ILE A CD1 1 
ATOM   147 N N   . MET A 1 21 ? 7.302   -13.840 -0.272  1.00 36.11 ? ? ? ? ? ?  21  MET A N   1 
ATOM   148 C CA  A MET A 1 21 ? 7.314   -15.244 -0.690  0.50 38.75 ? ? ? ? ? ?  21  MET A CA  1 
ATOM   149 C CA  B MET A 1 21 ? 7.330   -15.239 -0.659  0.50 38.61 ? ? ? ? ? ?  21  MET A CA  1 
ATOM   150 C C   . MET A 1 21 ? 8.631   -15.631 -1.350  1.00 41.21 ? ? ? ? ? ?  21  MET A C   1 
ATOM   151 O O   . MET A 1 21 ? 8.770   -16.741 -1.772  1.00 48.21 ? ? ? ? ? ?  21  MET A O   1 
ATOM   152 C CB  A MET A 1 21 ? 6.156   -15.579 -1.651  0.50 36.27 ? ? ? ? ? ?  21  MET A CB  1 
ATOM   153 C CB  B MET A 1 21 ? 6.115   -15.581 -1.517  0.50 35.88 ? ? ? ? ? ?  21  MET A CB  1 
ATOM   154 C CG  A MET A 1 21 ? 4.773   -15.740 -1.001  0.50 38.76 ? ? ? ? ? ?  21  MET A CG  1 
ATOM   155 C CG  B MET A 1 21 ? 4.812   -15.496 -0.714  0.50 38.06 ? ? ? ? ? ?  21  MET A CG  1 
ATOM   156 S SD  A MET A 1 21 ? 4.510   -17.076 0.186   0.50 41.75 ? ? ? ? ? ?  21  MET A SD  1 
ATOM   157 S SD  B MET A 1 21 ? 4.662   -16.662 0.653   0.50 38.71 ? ? ? ? ? ?  21  MET A SD  1 
ATOM   158 C CE  A MET A 1 21 ? 5.015   -16.291 1.703   0.50 36.78 ? ? ? ? ? ?  21  MET A CE  1 
ATOM   159 C CE  B MET A 1 21 ? 4.291   -18.076 -0.396  0.50 36.87 ? ? ? ? ? ?  21  MET A CE  1 
ATOM   160 N N   . ASN A 1 22 ? 9.589   -14.710 -1.444  1.00 46.77 ? ? ? ? ? ?  22  ASN A N   1 
ATOM   161 C CA  . ASN A 1 22 ? 10.966  -15.040 -1.896  1.00 49.29 ? ? ? ? ? ?  22  ASN A CA  1 
ATOM   162 C C   . ASN A 1 22 ? 11.998  -14.769 -0.868  1.00 47.79 ? ? ? ? ? ?  22  ASN A C   1 
ATOM   163 O O   . ASN A 1 22 ? 12.323  -15.670 -0.098  1.00 53.35 ? ? ? ? ? ?  22  ASN A O   1 
ATOM   164 C CB  . ASN A 1 22 ? 11.267  -14.298 -3.151  1.00 51.55 ? ? ? ? ? ?  22  ASN A CB  1 
ATOM   165 C CG  . ASN A 1 22 ? 10.585  -14.946 -4.313  1.00 56.01 ? ? ? ? ? ?  22  ASN A CG  1 
ATOM   166 O OD1 . ASN A 1 22 ? 9.405   -14.710 -4.598  1.00 46.20 ? ? ? ? ? ?  22  ASN A OD1 1 
ATOM   167 N ND2 . ASN A 1 22 ? 11.304  -15.867 -4.936  1.00 68.04 ? ? ? ? ? ?  22  ASN A ND2 1 
ATOM   168 N N   . SER A 1 23 ? 12.468  -13.525 -0.806  1.00 47.16 ? ? ? ? ? ?  23  SER A N   1 
HETATM 169 O O   . HOH B 2 .  ? 0.009   -0.004  -7.682  0.50 23.66 ? ? ? ? ? ?  101 HOH A O   1 
HETATM 170 O O   . HOH B 2 .  ? 10.018  -13.313 4.594   0.50 23.71 ? ? ? ? ? ?  102 HOH A O   1 
HETATM 171 O O   . HOH B 2 .  ? -7.740  7.902   -5.667  1.00 30.09 ? ? ? ? ? ?  103 HOH A O   1 
HETATM 172 O O   . HOH B 2 .  ? 1.733   -6.076  -9.024  1.00 38.46 ? ? ? ? ? ?  104 HOH A O   1 
HETATM 173 O O   . HOH B 2 .  ? 1.598   -12.231 -5.505  1.00 40.26 ? ? ? ? ? ?  105 HOH A O   1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  GLY 1  1  1  GLY GLY A . n 
A 1 2  ILE 2  2  2  ILE ILE A . n 
A 1 3  GLY 3  3  3  GLY GLY A . n 
A 1 4  LYS 4  4  4  LYS LYS A . n 
A 1 5  PHE 5  5  5  PHE PHE A . n 
A 1 6  LEU 6  6  6  LEU LEU A . n 
A 1 7  HIS 7  7  7  HIS HIS A . n 
A 1 8  ALA 8  8  8  ALA ALA A . n 
A 1 9  ALA 9  9  9  ALA ALA A . n 
A 1 10 LYS 10 10 10 LYS LYS A . n 
A 1 11 LYS 11 11 11 LYS LYS A . n 
A 1 12 PHE 12 12 12 PHE PHE A . n 
A 1 13 ALA 13 13 13 ALA ALA A . n 
A 1 14 LYS 14 14 14 LYS LYS A . n 
A 1 15 ALA 15 15 15 ALA ALA A . n 
A 1 16 PHE 16 16 16 PHE PHE A . n 
A 1 17 VAL 17 17 17 VAL VAL A . n 
A 1 18 ALA 18 18 18 ALA ALA A . n 
A 1 19 GLU 19 19 19 GLU GLU A . n 
A 1 20 ILE 20 20 20 ILE ILE A . n 
A 1 21 MET 21 21 21 MET MET A . n 
A 1 22 ASN 22 22 22 ASN ASN A . n 
A 1 23 SER 23 23 23 SER SER A . n 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z   1.0000000000  0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_555 -x,-y,z -1.0000000000 0.0000000000 -0.0024434625 0.0000000000 0.0000000000 -1.0000000000 
0.0010480514 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
1 XPREP       '2008/2 for Windows' ?                program 'George Sheldrick'   demolicense@rt.bruker-axs.nl 'data reduction'  
http://shelx.uni-ac.gwdg.de/SHELX/           ?          
2 REFMAC5     ?                    ?                program 'Garib N. Murshudov' garib@ysbl.york.ac.uk        refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 
3 pdb_extract 3.11                 'April 22, 2011' package PDB                  deposit@deposit.rcsb.org     'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/    C++        
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
1  Y 1 1 A LYS 11 ? CE ? 
2  Y 1 1 A LYS 11 ? NZ ? 
3  Y 1 1 A LYS 14 ? CG ? 
4  Y 1 1 A LYS 14 ? CD ? 
5  Y 1 1 A LYS 14 ? CE ? 
6  Y 1 1 A LYS 14 ? NZ ? 
7  Y 1 1 A SER 23 ? CA ? 
8  Y 1 1 A SER 23 ? C  ? 
9  Y 1 1 A SER 23 ? O  ? 
10 Y 1 1 A SER 23 ? CB ? 
11 Y 1 1 A SER 23 ? OG ? 
# 
_pdbx_entry_details.entry_id             4MGP 
_pdbx_entry_details.nonpolymer_details   ? 
_pdbx_entry_details.sequence_details     'THESE RESIDUES ARE MODIFIED TO ALANINE.' 
_pdbx_entry_details.compound_details     ? 
_pdbx_entry_details.source_details       ? 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
4MGP 2013-10-16 4 0000 'Initial release' 'Initial release' 
4MGP 2013-10-23 4 0001 Citation          'Citation update' 
4MGP 2013-11-06 4 0002 Citation          'Citation update' 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1 101 1 HOH HOH A . 
B 2 HOH 2 102 2 HOH HOH A . 
B 2 HOH 3 103 3 HOH HOH A . 
B 2 HOH 4 104 4 HOH HOH A . 
B 2 HOH 5 105 5 HOH HOH A . 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASN 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     22 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.phi             -118.27 
_pdbx_validate_torsion.psi             -85.01 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
