BMRB Entry 15133

Name: Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1
Published: 2007-03-27

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PDB ID: 2jny
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15133
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1

Deposition date: 2007-02-14 Original release date: 2007-03-27

Authors: Wu, Yibing; Liu, Gaohua; Zhang, Qi; Chen, Chen; Nwosu, Chioma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas

Citation: Wu, Yibing; Liu, Gaohua; Zhang, Qi; Chen, Chen; Nwosu, Chioma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1" . ., .-..

Assembly members:
Uncharacterized BCR, polymer, 61 residues, 6989.049 Da.

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

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

Entity Sequences (FASTA):
Uncharacterized BCR: MSLDPQLLEVLACPKDKGPL RYLESEQLLVNERLNLAYRI DDGIPVLLIDEATEWTPNNL E

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	214
15N chemical shifts	63
1H chemical shifts	459

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Uncharacterized BCR	1

Entities:

Entity 1, Uncharacterized BCR 61 residues - 6989.049 Da.

1

MET

SER

LEU

ASP

PRO

GLN

LEU

GLU

VAL

2

LEU

ALA

CYS

PRO

LYS

ASP

LYS

GLY

PRO

LEU

3

ARG

TYR

LEU

GLU

SER

GLU

GLN

LEU

VAL

4

ASN

GLU

ARG

LEU

ASN

LEU

ALA

TYR

ARG

ILE

5

ASP

GLY

ILE

PRO

VAL

LEU

ILE

ASP

6

GLU

ALA

THR

GLU

TRP

THR

PRO

ASN

LEU

7

GLU

Samples:

sample_1: Uncharacterized BCR, [U-100% 13C; U-100% 15N], 1.0 mM; H2O 95%; D2O 5%; NaN3 5%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM

sample_2: Uncharacterized BCR, [U-5% 13C; U-100% 15N], 1.0 mM; H2O 95%; D2O 5%; NaN3 5%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY	sample_1	isotropic	sample_conditions_1
GFT (4,3)D HNNCABCA	sample_1	isotropic	sample_conditions_1
GFT (4,3)D CABCA(CO)NHN	sample_1	isotropic	sample_conditions_1
GFT (4,3)D HABCAB(CO)NHN	sample_1	isotropic	sample_conditions_1
GFT (4,3)D HCCH	sample_1	isotropic	sample_conditions_1

Software:

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

XEASY, Bartels et al. - peak picking

CNS v1.0, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoAssign, Zimmerman, Moseley, Kulikowski, Montelione - chemical shift assignment

AutoStruct, Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione - structure solution

NMR spectrometers:

Varian INOVA 750 MHz

PDB	2JNY
DBJ	BAB98798 BAF54458
EMBL	CAF21416 CCH24571
GB	AGN19142 AGN22167 AGT05373 AIK85084 AIK87868
REF	NP_600624 WP_003858671 WP_003861608

Biological Magnetic Resonance Data Bank