data_17252
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR Structure of BCMA
;
_BMRB_accession_number 17252
_BMRB_flat_file_name bmr17252.str
_Entry_type original
_Submission_date 2010-10-12
_Accession_date 2010-10-12
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Solution NMR structure of the extracellular CRD domain of human BCMA (synthetic source)'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Pellegrini M. . .
2 Willen L. . .
3 Perroud M. . .
4 Krushinskie D. . .
5 Strauch K. . .
6 Cuervo H. . .
7 Sun Y. . .
8 Day E. S. .
9 Schneider P. . .
10 Zheng T. S. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 166
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-06-04 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
17247 'xenopus Fn14'
stop_
_Original_release_date 2013-06-04
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 23438059
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Pellegrini Maria . .
2 Willen Laure . .
3 Perroud Mai . .
4 Krushinskie Dennis . .
5 Strauch Kathy . .
6 Cuervo Hernan . .
7 Day Eric S. .
8 Schneider Pascal . .
9 Zheng Timothy S. .
stop_
_Journal_abbreviation 'FEBS J.'
_Journal_name_full 'The FEBS journal'
_Journal_volume 280
_Journal_issue 8
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1818
_Page_last 1829
_Year 2013
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name BCMA
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
BCMA $BCMA
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_BCMA
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common BCMA
_Molecular_mass 5532.333
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 50
_Mol_residue_sequence
;
LQMAGQCSQNEYFDSLLHAC
IPCQLRCSSNTPPLTCQRYC
NASVTNSVKX
;
loop_
_Residue_seq_code
_Residue_label
1 LEU 2 GLN 3 MET 4 ALA 5 GLY
6 GLN 7 CYS 8 SER 9 GLN 10 ASN
11 GLU 12 TYR 13 PHE 14 ASP 15 SER
16 LEU 17 LEU 18 HIS 19 ALA 20 CYS
21 ILE 22 PRO 23 CYS 24 GLN 25 LEU
26 ARG 27 CYS 28 SER 29 SER 30 ASN
31 THR 32 PRO 33 PRO 34 LEU 35 THR
36 CYS 37 GLN 38 ARG 39 TYR 40 CYS
41 ASN 42 ALA 43 SER 44 VAL 45 THR
46 ASN 47 SER 48 VAL 49 LYS 50 CY1
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-13
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1OQD "Crystal Structure Of Stall-1 And Bcma" 78.00 39 100.00 100.00 7.64e-19
PDB 1XU2 "The Crystal Structure Of April Bound To Bcma" 92.00 47 100.00 100.00 3.39e-24
PDB 2KN1 "Solution Nmr Structure Of Bcma" 98.00 51 100.00 100.00 1.62e-26
PDB 4ZFO "J22.9-xi: Chimeric Mouse/human Antibody Against Human Bcma (cd269)" 98.00 54 100.00 100.00 1.05e-26
DBJ BAB60895 "BCMA [Homo sapiens]" 98.00 184 100.00 100.00 1.75e-26
DBJ BAI47121 "tumor necrosis factor receptor superfamily, member 17 [synthetic construct]" 98.00 184 100.00 100.00 1.75e-26
EMBL CAA78679 "codes for a 184 aminoacid peptide (BCM) [Homo sapiens]" 98.00 184 100.00 100.00 1.75e-26
EMBL CAA78680 "interleukin 2/BCM fusion protein [Homo sapiens]" 98.00 288 97.96 100.00 1.33e-25
EMBL CAA82690 "BCMA peptide [Homo sapiens]" 98.00 184 100.00 100.00 1.75e-26
EMBL CAA82691 "BCMA peptide [Homo sapiens]" 98.00 184 100.00 100.00 1.75e-26
GB AAB67251 "B-cell maturation protein [Homo sapiens]" 98.00 184 100.00 100.00 1.75e-26
GB AAH58291 "Tumor necrosis factor receptor superfamily, member 17 [Homo sapiens]" 98.00 184 100.00 100.00 1.79e-26
GB AAR84240 "tumor necrosis factor receptor superfamily, member 17 [Homo sapiens]" 98.00 184 100.00 100.00 1.75e-26
GB AAV92616 "tumor necrosis factor receptor superfamily member 17 [Homo sapiens]" 84.00 135 100.00 100.00 6.84e-22
GB AAX36273 "tumor necrosis factor receptor superfamily member 17 [synthetic construct]" 98.00 184 100.00 100.00 1.75e-26
REF NP_001183 "tumor necrosis factor receptor superfamily member 17 [Homo sapiens]" 98.00 184 100.00 100.00 1.90e-26
REF XP_002826185 "PREDICTED: tumor necrosis factor receptor superfamily member 17 [Pongo abelii]" 98.00 195 97.96 97.96 3.37e-25
REF XP_003269345 "PREDICTED: tumor necrosis factor receptor superfamily member 17 [Nomascus leucogenys]" 98.00 183 100.00 100.00 2.26e-26
REF XP_003832741 "PREDICTED: tumor necrosis factor receptor superfamily member 17 [Pan paniscus]" 98.00 184 100.00 100.00 1.75e-26
REF XP_004057277 "PREDICTED: tumor necrosis factor receptor superfamily member 17 [Gorilla gorilla gorilla]" 98.00 184 100.00 100.00 1.69e-26
SP Q02223 "RecName: Full=Tumor necrosis factor receptor superfamily member 17; AltName: Full=B-cell maturation protein; AltName: CD_antige" 98.00 184 100.00 100.00 1.90e-26
stop_
save_
######################
# Polymer residues #
######################
save_chem_comp_CY1
_Saveframe_category polymer_residue
_Mol_type 'L-PEPTIDE LINKING'
_Name_common ACETAMIDOMETHYLCYSTEINE
_BMRB_code CY1
_PDB_code CY1
_Standard_residue_derivative .
_Molecular_mass 192.236
_Mol_paramagnetic .
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N N N . 0 . ?
CA CA C . 0 . ?
CB CB C . 0 . ?
SG SG S . 0 . ?
CD CD C . 0 . ?
NE NE N . 0 . ?
CZ CZ C . 0 . ?
OAC OAC O . 0 . ?
CM CM C . 0 . ?
C C C . 0 . ?
O O O . 0 . ?
OXT OXT O . 0 . ?
H H H . 0 . ?
H2 H2 H . 0 . ?
HA HA H . 0 . ?
HB2 HB2 H . 0 . ?
HB3 HB3 H . 0 . ?
HD2 HD2 H . 0 . ?
HD3 HD3 H . 0 . ?
HE HE H . 0 . ?
HM1 HM1 H . 0 . ?
HM2 HM2 H . 0 . ?
HM3 HM3 H . 0 . ?
HXT HXT H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING N CA ? ?
SING N H ? ?
SING N H2 ? ?
SING CA CB ? ?
SING CA C ? ?
SING CA HA ? ?
SING CB SG ? ?
SING CB HB2 ? ?
SING CB HB3 ? ?
SING SG CD ? ?
SING CD NE ? ?
SING CD HD2 ? ?
SING CD HD3 ? ?
SING NE CZ ? ?
SING NE HE ? ?
DOUB CZ OAC ? ?
SING CZ CM ? ?
SING CM HM1 ? ?
SING CM HM2 ? ?
SING CM HM3 ? ?
DOUB C O ? ?
SING C OXT ? ?
SING OXT HXT ? ?
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$BCMA Human 9606 Eukaryota Metazoa Homo sapiens 'TNFRSF17 (BCM) (BCMA)'
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
_Details
$BCMA 'chemical synthesis' . N/A N/A . N/A N/A 'solid phase peptide synthesis'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$BCMA 900 uM 'natural abundance'
'sodium phosphate' 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.1
loop_
_Vendor
_Address
_Electronic_address
'Brunger A. T. et.al.' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.11
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength '600 MHz'
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_Sample_label $sample
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 10 . mM
pH 6.0 . pH
pressure 1 . atm
temperature 308 10 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D NOESY'
stop_
loop_
_Sample_label
$sample
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name BCMA
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 2 2 GLN HA H 4.458 0.004 1
2 2 2 GLN HB2 H 2.052 0.020 2
3 2 2 GLN HB3 H 1.978 0.020 2
4 2 2 GLN HG2 H 2.052 0.020 2
5 2 2 GLN HG3 H 2.335 0.020 2
6 3 3 MET H H 8.481 0.002 1
7 3 3 MET HA H 4.381 0.001 1
8 4 4 ALA H H 8.239 0.020 1
9 4 4 ALA HA H 3.858 0.020 1
10 5 5 GLY H H 8.620 0.010 1
11 5 5 GLY HA2 H 4.306 0.020 2
12 5 5 GLY HA3 H 4.242 0.020 2
13 6 6 GLN H H 7.962 0.020 1
14 6 6 GLN HA H 4.286 0.020 1
15 6 6 GLN HB2 H 2.060 0.020 2
16 6 6 GLN HB3 H 1.967 0.020 2
17 6 6 GLN HG2 H 2.195 0.020 1
18 6 6 GLN HG3 H 2.195 0.020 1
19 7 7 CYS H H 8.199 0.003 1
20 7 7 CYS HA H 4.978 0.020 1
21 7 7 CYS HB2 H 3.527 0.001 2
22 7 7 CYS HB3 H 2.596 0.002 2
23 8 8 SER H H 8.715 0.002 1
24 8 8 SER HA H 4.488 0.001 1
25 8 8 SER HB2 H 3.845 0.002 2
26 8 8 SER HB3 H 3.780 0.003 2
27 9 9 GLN H H 8.540 0.001 1
28 9 9 GLN HA H 4.112 0.001 1
29 10 10 ASN HA H 4.374 0.020 1
30 11 11 GLU H H 7.569 0.001 1
31 11 11 GLU HA H 5.007 0.002 1
32 11 11 GLU HB2 H 2.017 0.007 1
33 11 11 GLU HB3 H 2.017 0.007 1
34 11 11 GLU HG2 H 1.693 0.003 2
35 11 11 GLU HG3 H 1.501 0.020 2
36 12 12 TYR H H 8.980 0.003 1
37 12 12 TYR HA H 4.886 0.002 1
38 12 12 TYR HB2 H 2.921 0.020 2
39 12 12 TYR HB3 H 2.742 0.020 2
40 13 13 PHE H H 8.881 0.001 1
41 13 13 PHE HA H 4.456 0.001 1
42 13 13 PHE HB2 H 2.931 0.002 1
43 13 13 PHE HB3 H 2.931 0.002 1
44 14 14 ASP H H 8.171 0.003 1
45 14 14 ASP HA H 4.659 0.001 1
46 14 14 ASP HB2 H 2.610 0.020 1
47 14 14 ASP HB3 H 2.610 0.020 1
48 15 15 SER H H 8.787 0.006 1
49 15 15 SER HA H 3.818 0.020 1
50 15 15 SER HB2 H 3.995 0.020 2
51 15 15 SER HB3 H 3.938 0.020 2
52 16 16 LEU H H 8.069 0.001 1
53 16 16 LEU HA H 4.213 0.003 1
54 17 17 LEU H H 7.921 0.020 1
55 17 17 LEU HA H 4.051 0.001 1
56 17 17 LEU HG H 0.727 0.004 1
57 18 18 HIS H H 7.901 0.020 1
58 18 18 HIS HB2 H 3.614 0.020 2
59 18 18 HIS HB3 H 3.393 0.001 2
60 19 19 ALA H H 6.774 0.020 1
61 19 19 ALA HA H 4.579 0.001 1
62 19 19 ALA HB H 1.067 0.001 1
63 20 20 CYS H H 8.617 0.001 1
64 20 20 CYS HB2 H 2.816 0.020 2
65 20 20 CYS HB3 H 2.727 0.020 2
66 21 21 ILE H H 9.082 0.002 1
67 21 21 ILE HA H 4.553 0.001 1
68 22 22 PRO HD2 H 3.872 0.020 2
69 22 22 PRO HD3 H 3.629 0.020 2
70 23 23 CYS H H 8.313 0.015 1
71 23 23 CYS HA H 4.675 0.002 1
72 23 23 CYS HB2 H 2.816 0.020 1
73 23 23 CYS HB3 H 2.816 0.020 1
74 24 24 GLN H H 9.018 0.001 1
75 24 24 GLN HA H 4.309 0.004 1
76 24 24 GLN HB2 H 2.330 0.020 2
77 24 24 GLN HB3 H 1.995 0.020 2
78 24 24 GLN HG2 H 2.466 0.002 1
79 24 24 GLN HG3 H 2.466 0.002 1
80 25 25 LEU H H 7.478 0.001 1
81 25 25 LEU HA H 4.248 0.020 1
82 26 26 ARG H H 8.298 0.001 1
83 27 27 CYS H H 7.530 0.004 1
84 27 27 CYS HA H 4.550 0.020 1
85 28 28 SER H H 8.337 0.002 1
86 28 28 SER HA H 4.466 0.023 1
87 28 28 SER HB2 H 4.003 0.020 2
88 29 29 SER H H 7.532 0.002 1
89 29 29 SER HA H 4.409 0.020 1
90 29 29 SER HB2 H 3.938 0.020 2
91 29 29 SER HB3 H 3.768 0.020 2
92 30 30 ASN H H 8.709 0.020 1
93 30 30 ASN HA H 4.501 0.020 1
94 30 30 ASN HB2 H 2.851 0.020 1
95 30 30 ASN HB3 H 2.851 0.020 1
96 31 31 THR H H 8.307 0.020 1
97 31 31 THR HA H 4.495 0.004 1
98 31 31 THR HB H 4.120 0.001 1
99 31 31 THR HG2 H 1.060 0.020 1
100 32 32 PRO HA H 4.420 0.020 1
101 32 32 PRO HD2 H 3.529 0.020 2
102 32 32 PRO HD3 H 3.391 0.020 2
103 33 33 PRO HA H 4.233 0.003 1
104 33 33 PRO HD2 H 3.554 0.020 1
105 33 33 PRO HD3 H 3.554 0.020 1
106 34 34 LEU H H 8.803 0.001 1
107 34 34 LEU HA H 3.997 0.004 1
108 36 36 CYS H H 7.960 0.001 1
109 36 36 CYS HA H 5.073 0.002 1
110 36 36 CYS HB2 H 3.453 0.003 2
111 36 36 CYS HB3 H 2.626 0.020 2
112 37 37 GLN H H 7.699 0.002 1
113 37 37 GLN HA H 3.723 0.001 1
114 37 37 GLN HB2 H 2.129 0.001 2
115 37 37 GLN HB3 H 2.081 0.020 2
116 37 37 GLN HG2 H 2.521 0.001 2
117 37 37 GLN HG3 H 2.253 0.004 2
118 38 38 ARG H H 8.595 0.001 1
119 38 38 ARG HA H 4.023 0.020 1
120 39 39 TYR H H 8.607 0.020 1
121 39 39 TYR HA H 4.030 0.020 1
122 39 39 TYR HB2 H 3.202 0.020 2
123 39 39 TYR HB3 H 2.913 0.020 2
124 40 40 CYS H H 8.728 0.001 1
125 40 40 CYS HA H 4.436 0.020 1
126 40 40 CYS HB2 H 3.247 0.020 2
127 40 40 CYS HB3 H 2.733 0.001 2
128 41 41 ASN H H 8.329 0.020 1
129 41 41 ASN HA H 4.574 0.004 1
130 41 41 ASN HB2 H 2.816 0.020 1
131 41 41 ASN HB3 H 2.816 0.020 1
132 42 42 ALA H H 7.741 0.001 1
133 42 42 ALA HA H 4.239 0.002 1
134 42 42 ALA HB H 1.349 0.020 1
135 43 43 SER H H 7.881 0.001 1
136 43 43 SER HA H 4.286 0.001 1
137 43 43 SER HB2 H 3.753 0.002 1
138 43 43 SER HB3 H 3.753 0.002 1
139 44 44 VAL H H 7.883 0.002 1
140 44 44 VAL HA H 4.123 0.020 1
141 44 44 VAL HB H 2.125 0.020 1
142 44 44 VAL HG1 H 0.929 0.020 1
143 44 44 VAL HG2 H 0.929 0.020 1
144 45 45 THR H H 8.143 0.003 1
145 45 45 THR HA H 4.259 0.020 1
146 45 45 THR HB H 4.175 0.020 1
147 45 45 THR HG2 H 1.161 0.020 1
148 46 46 ASN H H 8.393 0.001 1
149 46 46 ASN HA H 4.700 0.020 1
150 46 46 ASN HB2 H 2.817 0.020 2
151 46 46 ASN HB3 H 2.753 0.020 2
152 47 47 SER H H 8.241 0.003 1
153 47 47 SER HA H 4.388 0.007 1
154 47 47 SER HB2 H 3.858 0.020 1
155 47 47 SER HB3 H 3.858 0.020 1
156 48 48 VAL H H 8.150 0.003 1
157 48 48 VAL HA H 4.048 0.020 1
158 48 48 VAL HB H 2.070 0.020 1
159 48 48 VAL HG1 H 0.915 0.020 1
160 48 48 VAL HG2 H 0.915 0.020 1
161 49 49 LYS H H 8.402 0.022 1
162 49 49 LYS HA H 4.290 0.020 1
163 50 50 CY1 H H 8.423 0.004 .
164 50 50 CY1 HA H 4.498 0.020 .
165 50 50 CY1 HB2 H 3.054 0.020 .
166 50 50 CY1 HB3 H 2.880 0.020 .
stop_
save_