BMRB Entry 15584

Name: NMR STRUCTURE OF PUTATIVE-tRNA HYDROLASE DOMAIN FROM SALMONELLA TYPHIMURIUM: NORTH EAST STRUCTURAL GENOMICS CONSORTIUM TARGET STR220
Published: 2008-01-18

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PDB ID: 2jy9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15584
MolProbity Validation Chart

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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:

NMR STRUCTURE OF PUTATIVE-tRNA HYDROLASE DOMAIN FROM SALMONELLA TYPHIMURIUM: NORTH EAST STRUCTURAL GENOMICS CONSORTIUM TARGET STR220

Deposition date:

2007-12-07

Original release date:

2008-01-18

Authors:

SINGARAPU, KIRAN KUMAR; WU, YIBING; SUKUMARAN, DINESH; ELETSKY, ALEX; ZERI, ANNA; WANG, DONGYAN; JANJUA, HALEEMA; OWENS, LEAH; XIAO, RONG; LIU, JINFENG; BARAN, MICHAEL; G.V.T., SWAPNA; ACTON, THOMAS; ROST, BURKHARD; MONTELIONE, GAETANO; SZYPERSKI, THOMAS

Citation:

Citation: SINGARAPU, KIRAN KUMAR; WU, YIBING; SUKUMARAN, DINESH; ELETSKY, ALEX; ZERI, ANNA; WANG, DONGYAN; JANJUA, HALEEMA; OWENS, LEAH; XIAO, RONG; LIU, JINFENG; BARAN, MICHAEL; G.V.T., SWAPNA; ACTON, THOMAS; ROST, BURKHARD; MONTELIONE, GAETANO; SZYPERSKI, THOMAS. "NMR STRUCTURE OF PUTATIVE-tRNA HYDROLASE DOMAIN FROM SALMONELLA TYPHIMURIUM: NORTH EAST STRUCTURAL GENOMICS CONSORTIUM TARGET STR220" .

Assembly members:

Assembly members:
STR220, polymer, 148 residues, 16700.322 Da.

Natural source:

Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 602 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella typhimurium

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
STR220: MIAISRTVSIADNELEITAI RAQGAGGQHVNKTSSAIHLR FDIRASGLPEYYKQRLLTAS HHLISDDGVIIIKAQEFRSQ ELNREAAIARLVAVIKELTA EQKSRRATRPTRASKERRLS SKAQKSSVKALRGKVRRPLD LEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	586
15N chemical shifts	139
1H chemical shifts	977

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	STR220	1

Entities:

Entity 1, STR220 148 residues - 16700.322 Da.

1

MET

ILE

ALA

ILE

SER

ARG

THR

VAL

SER

ILE

2

ALA

ASP

ASN

GLU

LEU

GLU

ILE

THR

ALA

ILE

3

ARG

ALA

GLN

GLY

ALA

GLY

GLN

HIS

VAL

4

ASN

LYS

THR

SER

ALA

ILE

HIS

LEU

ARG

5

PHE

ASP

ILE

ARG

ALA

SER

GLY

LEU

PRO

GLU

6

TYR

LYS

GLN

ARG

LEU

THR

ALA

SER

7

HIS

LEU

ILE

SER

ASP

GLY

VAL

ILE

8

ILE

LYS

ALA

GLN

GLU

PHE

ARG

SER

GLN

9

GLU

LEU

ASN

ARG

GLU

ALA

ILE

ALA

ARG

10

LEU

VAL

ALA

VAL

ILE

LYS

GLU

LEU

THR

ALA

11

GLU

GLN

LYS

SER

ARG

ALA

THR

ARG

PRO

12

THR

ARG

ALA

SER

LYS

GLU

ARG

LEU

SER

13

SER

LYS

ALA

GLN

LYS

SER

VAL

LYS

ALA

14

LEU

ARG

GLY

LYS

VAL

ARG

PRO

LEU

ASP

15

LEU

GLU

HIS

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 1.4 mM; D2O, [U-100% 2H], 5%; H2O 95%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
4,3D GFT CABCACONHN	sample_1	isotropic	sample_conditions_1
4,3D GFT HNNCABCA	sample_1	isotropic	sample_conditions_1
4,3D GFT HCCH COSY	sample_1	isotropic	sample_conditions_1
3D HCCH COSY	sample_1	isotropic	sample_conditions_1
3D SimNOESY	sample_1	isotropic	sample_conditions_1
4,3D HABCABCONHN	sample_1	isotropic	sample_conditions_1

Software:

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

AutoStruct, Huang, Tejero, Powers and Montelione - chemical shift assignment

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

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

Molmol, Koradi, Billeter and Wuthrich - structure solution

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

PSVS, Bhattacharya and Montelione - validation

TALOS, Cornilescu, Delaglio and Bax - data analysis

VNMRJ, Varian - collection

XEASY, Bartels et al. - data analysis

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz

PDB	2JY9
DBJ	BAJ35184 BAP05946
EMBL	CAD08699 CAR31835 CAR36151 CAR58353 CBG23262
GB	AAL19204 AAO67971 AAV76276 AAX64146 ABX22610
PIR	AC0532
REF	NP_454848 NP_459245 WP_000560520 WP_000560521 WP_000560522