BMRB Entry 16692

Name: Solution NMR structure of a domain of protein A6KY75 from Bacteroides vulgatus, Northeast Structural Genomics target BvR106A
Published: 2010-03-02

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PDB ID: 2kta
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16692
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of a domain of protein A6KY75 from Bacteroides vulgatus, Northeast Structural Genomics target BvR106A

Deposition date:

2010-01-26

Original release date:

2010-03-02

Authors:

Mills, Jeffrey; Sukumaran, Dinesh; Sathyamoorthy, Bharathwaj; Belote, Rachel; Ciccosanti, Colleen; Hamilton, Keith; Acton, T.; Xiao, R.; Swapna, GVT; Everett, J.; Montelione, G.; Szyperski, Thomas

Citation:

Citation: Mills, Jeffrey; Sukumaran, Dinesh; Sathyamoorthy, Bharathwaj; Belote, Rachel; Ciccosanti, Colleen; Hamilton, Keith; Acton, T.; Xiao, R.; Swapna, GVT; Everett, J.; Montelione, G.; Szyperski, Thomas. "Solution NMR structure of a domain of protein A6KY75 from Bacteroides vulgatus, Northeast Structural Genomics target BvR106A." .

Assembly members:

Assembly members:
BvR106A, polymer, 74 residues, 9095.4 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET 21-23C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BvR106A: MNQNLQGEWMKNYEELKSFV RKYRRFPKSTEGNLGGWCHT QRKMRKQGKLPNDRRLLLDK IGFVWSLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	247
15N chemical shifts	77
1H chemical shifts	518

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 74 residues - 9095.4 Da.

1

MET

ASN

GLN

ASN

LEU

GLN

GLY

GLU

TRP

MET

2

LYS

ASN

TYR

GLU

LEU

LYS

SER

PHE

VAL

3

ARG

LYS

TYR

ARG

PHE

PRO

LYS

SER

THR

4

GLU

GLY

ASN

LEU

GLY

TRP

CYS

HIS

THR

5

GLN

ARG

LYS

MET

ARG

LYS

GLN

GLY

LYS

LEU

6

PRO

ASN

ASP

ARG

LEU

ASP

LYS

7

ILE

GLY

PHE

VAL

TRP

SER

LEU

GLU

HIS

8

HIS

Samples:

NC: BvR106A, [U-99% 13C; U-99% 15N], 1.11 mM; D2O, [U-2H], 10%; H2O 90%; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; DSS 50 uM; sodium azide 0.02%

sample_conditions_1: ionic strength: 235 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC	isotropic	sample_conditions_1
(4,3)D GFT CABCA(CO)NH	NC	isotropic	sample_conditions_1
(4,3)D GFT HNCABCA	NC	isotropic	sample_conditions_1
(4,3)D GFT HABCAB(CO)NH	NC	isotropic	sample_conditions_1
3D HCCH-TOCSY	NC	isotropic	sample_conditions_1
3D simultaneous NOESY	NC	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC	isotropic	sample_conditions_1

Software:

XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking

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

CSI, Wishart and Sykes - structure solution

TALOS, Cornilescu, Delaglio and Bax - structure solution

CYANA, Herrmann, Guntert and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

Molmol, Koradi, Billeter and Wuthrich - data analysis, refinement

PSVS, Bhattacharya and Montelione - refinement

PROSA, Guntert - processing

VNMRJ, Varian - collection

NMR spectrometers:

Varian UnityPlus 750 MHz