BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16649

Title: Solution NMR structure of the PCP_red domain of light-independent protochlorophyllide reductase subunit B from Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR69A

Deposition date: 2009-12-22 Original release date: 2010-02-22

Authors: He, Yunfen; Eletsky, Alexander; Lee, Dan; Ciccosanti, Colleen; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas

Citation: He, Yunfen; Eletsky, Alexander; Lee, Dan; Ciccosanti, Colleen; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR structure of the PCP_red domain of light-independent protochlorophyllide reductase subunit B from Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR69A"  Not known ., .-..

Assembly members:
CtR69A, polymer, 63 residues, 7319.465 Da.

Natural source:   Common Name: green sulfur bacteria   Taxonomy ID: 1097   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Chlorobium tepidum

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
CtR69A: MGELSWTAEAEKMLGKVPFF VRKKVRKNTDNYAREIGEPV VTADVFRKAKEHLGGLEHHH HHH

Data typeCount
13C chemical shifts255
15N chemical shifts63
1H chemical shifts414

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1CtR69A1

Entities:

Entity 1, CtR69A 63 residues - 7319.465 Da.

Residues 2-55 correspond to residues 484-537 of the native protein. Residues 56-63 represent a non-native affinity tag. Residue 1 corresponds the introduced start-codon.

1   METGLYGLULEUSERTRPTHRALAGLUALA
2   GLULYSMETLEUGLYLYSVALPROPHEPHE
3   VALARGLYSLYSVALARGLYSASNTHRASP
4   ASNTYRALAARGGLUILEGLYGLUPROVAL
5   VALTHRALAASPVALPHEARGLYSALALYS
6   GLUHISLEUGLYGLYLEUGLUHISHISHIS
7   HISHISHIS

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 1.080 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; NaN3 0.02%

sample_2: entity, [U-5% 13C; U-100% 15N], 0.986 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; NaN3 0.02%

sample_conditions_1: ionic strength: 117.5 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C CT-HSQC alisample_1isotropicsample_conditions_1
2D 1H-13C CT-HSQC (methyl)sample_2isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSY alisample_1isotropicsample_conditions_1
13C/15N-NOESYsample_1isotropicsample_conditions_1
2D 1H-13C CT-HSQC arosample_1isotropicsample_conditions_1
3D HCCH-COSY arosample_1isotropicsample_conditions_1
2D 1H-15N LR-HSQC (Histidine)sample_1isotropicsample_conditions_1

Software:

VNMRJ v2.1B, Varian - collection

PROSA v6.4, Guntert - processing

XEASY, Bartels et al. - data analysis

PINE v1.0, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - structure solution

TALOS+ v1.2009.0721.18, Shen, Cornilescu, Delaglio and Bax - data analysis

CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

PSVS v1.3, Bhattacharya and Montelione - validation

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 750 MHz

Related Database Links:

PDB
GB AAG12202 AAM73367
REF NP_663025 WP_010933804
SP Q9F715

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts