BMRB Entry 19012

Name: NMR structure of hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)
Published: 2013-03-21

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PDB ID: 2m4l
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19012
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)

Deposition date:

2013-02-07

Original release date:

2013-03-21

Authors:

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

Citation:

Citation: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt. "NMR structure of hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)" .

Assembly members:

Assembly members:
BT_0846, polymer, 99 residues, 11242.420 Da.

Natural source:

Natural source: Common Name: CFB group bacteria Taxonomy ID: 818 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacteroides not available

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BT_0846: GEDWTELNSNNIIGYWSTGI EGTHKLLSFDEDGTGSFGIY SNATPISFQMFDYKIEEGRI YIYDVYPDEKTPYYLDCKIS GTTLKVETGSEAGTYKKQK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	329
15N chemical shifts	103
1H chemical shifts	669

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hypothetical protein BT_0846	1

Entities:

Entity 1, hypothetical protein BT_0846 99 residues - 11242.420 Da.

1

GLY

GLU

ASP

TRP

THR

GLU

LEU

ASN

SER

ASN

2

ASN

ILE

GLY

TYR

TRP

SER

THR

GLY

ILE

3

GLU

GLY

THR

HIS

LYS

LEU

SER

PHE

ASP

4

GLU

ASP

GLY

THR

GLY

SER

PHE

GLY

ILE

TYR

5

SER

ASN

ALA

THR

PRO

ILE

SER

PHE

GLN

MET

6

PHE

ASP

TYR

LYS

ILE

GLU

GLY

ARG

ILE

7

TYR

ILE

TYR

ASP

VAL

TYR

PRO

ASP

GLU

LYS

8

THR

PRO

TYR

LEU

ASP

CYS

LYS

ILE

SER

9

GLY

THR

LEU

LYS

VAL

GLU

THR

GLY

SER

10

GLU

ALA

GLY

THR

TYR

LYS

GLN

LYS

Samples:

sample_1: BT_0846, [U-99% 13C; U-99% 15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.798 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN v3.1, Bruker Biospin - collection, processing

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

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

jUNIO, Herrmann, Guntert and Wuthrich - chemical shift assignment, peak picking, structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2M4L
EMBL	CUO58639
GB	AAO75953 ALJ42023
REF	NP_809759 WP_011107485 WP_055268830