BMRB Entry 16521

Name: NMR solution structure of CV_2116 from Chromobacterium violaceum.Northeast Structural Genomics Consortium Target CvT4(1-82)
Published: 2014-03-04

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PDB ID: 2kon
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16521
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of CV_2116 from Chromobacterium violaceum.Northeast Structural Genomics Consortium Target CvT4(1-82)

Deposition date:

2009-09-24

Original release date:

2014-03-04

Authors:

Yang, Yunhuang; Ramelot, Theresa; Cort, John; Garcia, Maite; Yee, Adelinda; Arrowsmith, Cheryl; Montelio, Gaetano; Kennedy, Michael

Citation:

Citation: Yang, Yunhuang; Ramelot, Theresa; Cort, John; Garcia, Maite; Yee, Adelinda; Arrowsmith, Cheryl; Montelione, Gaetano; Kennedy, Michael. "NMR solution structure of CV_2116 from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvT4(1-82)" .

Assembly members:

Assembly members:
CV_2116, polymer, 82 residues, 9399.5 Da.

Natural source:

Natural source: Common Name: Chromobacterium violaceum Taxonomy ID: 536 Superkingdom: Bacteria Kingdom: not available Genus/species: Chromobacterium violaceum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p15Tv lic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CV_2116: MNVAHYRGYEIEPGHQYRDD IRKYVPYALIRKVGVPDRTP IPTTYPEFYDLEADAERVSI ACAKIIIDSHLDRHDQGLAD LG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	371
15N chemical shifts	87
1H chemical shifts	589

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 82 residues - 9399.5 Da.

1

MET

ASN

VAL

ALA

HIS

TYR

ARG

GLY

TYR

GLU

2

ILE

GLU

PRO

GLY

HIS

GLN

TYR

ARG

ASP

3

ILE

ARG

LYS

TYR

VAL

PRO

TYR

ALA

LEU

ILE

4

ARG

LYS

VAL

GLY

VAL

PRO

ASP

ARG

THR

PRO

5

ILE

PRO

THR

TYR

PRO

GLU

PHE

TYR

ASP

6

LEU

GLU

ALA

ASP

ALA

GLU

ARG

VAL

SER

ILE

7

ALA

CYS

ALA

LYS

ILE

ASP

SER

HIS

8

LEU

ASP

ARG

HIS

ASP

GLN

GLY

LEU

ALA

ASP

9

LEU

GLY

Samples:

NC_sample: CV_2116, [U-100% 13C; U-100% 15N], 0.8 ± 0.1 mM; TRIS 10 ± 0.5 mM; sodium chloride 300 ± 15 mM; zinc sulfate 10 ± 0.5 uM; DTT 10 ± 0.5 mM; benzamidine 1 ± 0.05 mM; inhibitor cocktail 1 1/1 v/v

NC7_sample: CV_2116 0.8 ± 0.1 mM; TRIS 10 ± 0.5 mM; sodium chloride 300 ± 15 mM; zinc sulfate 10 ± 0.5 uM; DTT 10 ± 0.5 mM; benzamidine 1 ± 0.05 mM; inhibitor cocktail 1 1/1 v/v

NC_sample_in_D2O: CV_2116, [U-100% 13C; U-100% 15N], 0.8 ± 0.1 mM; TRIS 10 ± 0.5 mM; sodium chloride 300 ± 15 mM; zinc sulfate 10 ± 0.05 uM; DTT 10 ± 0.5 mM; benzamidine 1 ± 0.05 mM; inhibitor cocktail 1 1/1 v/v

sample_conditions_1: ionic strength: 0.2 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC7_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY	NC_sample	isotropic	sample_conditions_1
3D HNCO	NC_sample	isotropic	sample_conditions_1
3D HNCA	NC_sample	isotropic	sample_conditions_1
3D HNCACB	NC_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HN(CO)CA	NC_sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D C(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HCCH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D HCCH-COSY	NC_sample	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	NC_sample_in_D2O	isotropic	sample_conditions_1
4D CC NOESY	NC_sample_in_D2O	isotropic	sample_conditions_1
2D His-HMQC	NC_sample	isotropic	sample_conditions_1

Software:

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.3, Bruker Biospin - collection

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY v3.113, Goddard - data analysis

PSVS v1.4, Bhattacharya and Montelione - structure solution

AutoAssign v2.30, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

PDBStat v5.1, (PdbStat)-Roberto Tejero and Gaetano T. Montelione - structure solution

NMR spectrometers:

Varian INOVA 500 MHz
Varian INOVA 600 MHz
Varian INOVA 750 MHz

SWS	Q7NW74
PDB	2KON
GB	AAQ59789
REF	WP_011135664