BMRB Entry 16336

Name: Solution Structure Of Protein NMB1076 From Neisseria meningitidis. Northeast Structural Genomics Consortium Target MR101B.
Published: 2009-07-07

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PDB ID: 2kjq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16336
MolProbity Validation Chart

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

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Title:

Solution Structure Of Protein NMB1076 From Neisseria meningitidis. Northeast Structural Genomics Consortium Target MR101B.

Deposition date:

2009-06-08

Original release date:

2009-07-07

Authors:

Wu, Yibing; Maglaqui, Melissa; Eletsky, Alexander; Ciccosanti, Colleen; Sathyamoorthy, Bharathwaj; Jiang, Mei; Garcia, Erwin; Nair, R.; Rost, B.; Swapna, G.V.T; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; Szyperski, Thomas

Citation:

Citation: Wu, Yibing; Maglaqui, Melissa; Eletsky, Alexander; Ciccosanti, Colleen; Sathyamoorthy, Bharathwaj; Jiang, Mei; Garcia, Erwin; Nair, R.; Rost, B.; Swapna, G.V.T; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; Szyperski, Thomas. "Solution Structure Of Protein NMB1076 From Neisseria meningitidis. Northeast Structural Genomics Consortium Target MR101B." .

Assembly members:

Assembly members:
NMB1076, polymer, 149 residues, 17002.334 Da.

Natural source:

Natural source: Common Name: b-proteobacteria Taxonomy ID: 487 Superkingdom: Bacteria Kingdom: not available Genus/species: Neisseria meningitidis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21(DE3)+ Magic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NMB1076: MGHHHHHHSHMDYPSFDKFL GTENAELVYVLRHKHGQFIY VWGEEGAGKSHLLQAWVAQA LEAGKNAAYIDAASMPLTDA AFEAEYLAVDQVEKLGNEEQ ALLFSIFNRFRNSGKGFLLL GSEYTPQQLVIREDLRTRMA YCLVYEVKP

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	406
15N chemical shifts	129
1H chemical shifts	873

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NMB1076	1

Entities:

Entity 1, NMB1076 149 residues - 17002.334 Da.

1

MET

GLY

HIS

SER

HIS

2

MET

ASP

TYR

PRO

SER

PHE

ASP

LYS

PHE

LEU

3

GLY

THR

GLU

ASN

ALA

GLU

LEU

VAL

TYR

VAL

4

LEU

ARG

HIS

LYS

HIS

GLY

GLN

PHE

ILE

TYR

5

VAL

TRP

GLY

GLU

GLY

ALA

GLY

LYS

SER

6

HIS

LEU

GLN

ALA

TRP

VAL

ALA

GLN

ALA

7

LEU

GLU

ALA

GLY

LYS

ASN

ALA

TYR

ILE

8

ASP

ALA

SER

MET

PRO

LEU

THR

ASP

ALA

9

ALA

PHE

GLU

ALA

GLU

TYR

LEU

ALA

VAL

ASP

10

GLN

VAL

GLU

LYS

LEU

GLY

ASN

GLU

GLN

11

ALA

LEU

PHE

SER

ILE

PHE

ASN

ARG

PHE

12

ARG

ASN

SER

GLY

LYS

GLY

PHE

LEU

13

GLY

SER

GLU

TYR

THR

PRO

GLN

LEU

VAL

14

ILE

ARG

GLU

ASP

LEU

ARG

THR

ARG

MET

ALA

15

TYR

CYS

LEU

VAL

TYR

GLU

VAL

LYS

PRO

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 1.0 mM; H2O 90%; D2O 10%

sample_2: entity, [U-5% 13C; U-100% 15N], 1.0 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.5 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 15N-13C RESOLVED SIMULTANIOUS NOESY	sample_2	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

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

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY, Bartels et al. - peak picking

AutoStruct, Huang, Tejero, Powers and Montelione - structure solution

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz

PDB	2KJQ
EMBL	CAM08463 CAM10302 CAX50162 CBA05833 CBA08030
GB	AAF41471 AAW89546 ABX73175 ACF29645 ADO31553
REF	NP_274109 WP_002213636 WP_002259910 WP_003688563 WP_003693249