BMRB Entry 16084

Name: SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C
Published: 2009-01-09

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PDB ID: 2kcl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16084
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:

SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C

Deposition date:

2008-12-22

Original release date:

2009-01-09

Authors:

Liu, Gaohua; Rossi, Paolo; Wang, Dongyan; Nwosu, Chioma; Owens, Leah; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation:

Citation: Liu, Gaohua; Rossi, Paolo; Wang, Dongyan; Nwosu, Chioma; Owens, Leah; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano. "SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C" .

Assembly members:

Assembly members:
SRU_0103, polymer, 99 residues, 11487.540 Da.

Natural source:

Natural source: Common Name: Salinibacter ruber Taxonomy ID: 146919 Superkingdom: Bacteria Kingdom: not available Genus/species: Salinibacter ruber

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SRU_0103: EDPEDPFTRYALAQEHLKHD NASRALALFEELVETDPDYV GTYYHLGKLYERLDRTDDAI DTYAQGIEVAREEGTQKDLS ELQDAKLKAEGLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	310
15N chemical shifts	99
1H chemical shifts	655

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SRU_0103	1

Entities:

Entity 1, SRU_0103 99 residues - 11487.540 Da.

1

GLU

ASP

PRO

GLU

ASP

PRO

PHE

THR

ARG

TYR

2

ALA

LEU

ALA

GLN

GLU

HIS

LEU

LYS

HIS

ASP

3

ASN

ALA

SER

ARG

ALA

LEU

ALA

LEU

PHE

GLU

4

GLU

LEU

VAL

GLU

THR

ASP

PRO

ASP

TYR

VAL

5

GLY

THR

TYR

HIS

LEU

GLY

LYS

LEU

TYR

6

GLU

ARG

LEU

ASP

ARG

THR

ASP

ALA

ILE

7

ASP

THR

TYR

ALA

GLN

GLY

ILE

GLU

VAL

ALA

8

ARG

GLU

GLY

THR

GLN

LYS

ASP

LEU

SER

9

GLU

LEU

GLN

ASP

ALA

LYS

LEU

LYS

ALA

GLU

10

GLY

LEU

GLU

HIS

Samples:

sample_1: SRU_0103, [U-100% 13C; U-100% 15N], 1.37 mM

sample_2: SRU_0103, [U-10% 13C; U-100% 15N], 1.05 mM

sample_conditions_1: ionic strength: . M; 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-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY (aliph)	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 HABCABCONHN	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY (arom)	sample_1	isotropic	sample_conditions_1

Software:

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

CYANA, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution

AutoStruct, Huang, Tejero, Powers and Montelione - data analysis, refinement, structure solution

PSVS, Bhattacharya and Montelione - data analysis, refinement

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

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

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

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

NMR spectrometers:

Bruker Avance 800 MHz
Varian INOVA 600 MHz

BMRB	16821
PDB	2KCL 2KCV 3MA5
EMBL	CBH23027
GB	ABC44923
REF	WP_011402889 WP_043551686 YP_444256