BMRB Entry 18364

Name: NMR structure of the protein YP_001300941.1 from Bacteroides vulgatus
Published: 2012-04-30

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PDB ID: 2lrg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18364
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of the protein YP_001300941.1 from Bacteroides vulgatus

Deposition date:

2012-03-29

Original release date:

2012-04-30

Authors:

Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt; JCSG, JCSG

Citation:

Citation: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt. "NMR structure of the protein YP_001300941.1 from Bacteroides vulgatus" .

Assembly members:

Assembly members:
GS13500A, polymer, 126 residues, 13488.005 Da.

Natural source:

Natural source: Common Name: Bacteroides vulgates Taxonomy ID: 821 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacteroides vulgates

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GS13500A: GASDFQTGIHKIVIQQSGDT DSFEVSVSIGGADKGGPAKL YNDKGEYIGDSYSAQIRTAT MSCCTNGNAFFMTCAGSVSS ISEAGKRLHITVIGYIDDKE VNRLEKEYITDGNTLIETFS VSTKEI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	395
15N chemical shifts	130
1H chemical shifts	790

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GS13500A	1

Entities:

Entity 1, GS13500A 126 residues - 13488.005 Da.

1

GLY

ALA

SER

ASP

PHE

GLN

THR

GLY

ILE

HIS

2

LYS

ILE

VAL

ILE

GLN

SER

GLY

ASP

THR

3

ASP

SER

PHE

GLU

VAL

SER

VAL

SER

ILE

GLY

4

GLY

ALA

ASP

LYS

GLY

PRO

ALA

LYS

LEU

5

TYR

ASN

ASP

LYS

GLY

GLU

TYR

ILE

GLY

ASP

6

SER

TYR

SER

ALA

GLN

ILE

ARG

THR

ALA

THR

7

MET

SER

CYS

THR

ASN

GLY

ASN

ALA

PHE

8

PHE

MET

THR

CYS

ALA

GLY

SER

VAL

SER

9

ILE

SER

GLU

ALA

GLY

LYS

ARG

LEU

HIS

ILE

10

THR

VAL

ILE

GLY

TYR

ILE

ASP

LYS

GLU

11

VAL

ASN

ARG

LEU

GLU

LYS

GLU

TYR

ILE

THR

12

ASP

GLY

ASN

THR

LEU

ILE

GLU

THR

PHE

SER

13

VAL

SER

THR

LYS

GLU

ILE

Samples:

sample_1: GS13500A, [U-98% 13C; U-98% 15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; H2O 95 mM; D2O, [U-99% 2H], 5 mM

sample_conditions_1: ionic strength: 0.08 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
4D APSY-HACANH	sample_1	isotropic	sample_conditions_1
5D APSY-HACACONH	sample_1	isotropic	sample_conditions_1
5D APSY-CBCACONH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

UNIO, (Unio)-Herrmann and Wuthrich - chemical shift assignment, structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2LRG 3U6G
EMBL	CBW24855 CUO17365 CUQ42974
GB	ABR41319 ALK85811 EES67826 EFI05346 EFI12350
REF	WP_005805239 WP_005823213 WP_008640853 WP_008766551 WP_009040585