BMRB Entry 16403

Name: SOLUTION STRUCTURE OF GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID)
Published: 2009-07-13

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PDB ID: 2klx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16403
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 GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID)

Deposition date:

2009-07-10

Original release date:

2009-07-13

Authors:

Leeper, Thomas; Varani, Gabriele; Zheng, Suxin

Citation:

Citation: Leeper, Thomas; Varani, Gabriele; Zheng, Suxin. "SOLUTION STRUCTURE OF GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID)" To be Published ., .-..

Assembly members:

Assembly members:
GLUTAREDOXIN, polymer, 89 residues, 10078.538 Da.

Natural source:

Natural source: Common Name: Bartonella henselae Taxonomy ID: 283166 Superkingdom: Bacteria Kingdom: not available Genus/species: Bartonella henselae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GLUTAREDOXIN: GPGSMKEIILYTRPNCPYCK RARDLLDKKGVKYTDIDAST SLRQEMVQRANGRNTFPQIF IGDYHVGGCDDLYALENKGK LDSLLQDVH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	281
15N chemical shifts	90
1H chemical shifts	588

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GLUTAREDOXIN	1

Entities:

Entity 1, GLUTAREDOXIN 89 residues - 10078.538 Da.

1

GLY

PRO

GLY

SER

MET

LYS

GLU

ILE

LEU

2

TYR

THR

ARG

PRO

ASN

CYS

PRO

TYR

CYS

LYS

3

ARG

ALA

ARG

ASP

LEU

ASP

LYS

GLY

4

VAL

LYS

TYR

THR

ASP

ILE

ASP

ALA

SER

THR

5

SER

LEU

ARG

GLN

GLU

MET

VAL

GLN

ARG

ALA

6

ASN

GLY

ARG

ASN

THR

PHE

PRO

GLN

ILE

PHE

7

ILE

GLY

ASP

TYR

HIS

VAL

GLY

CYS

ASP

8

ASP

LEU

TYR

ALA

LEU

GLU

ASN

LYS

GLY

LYS

9

LEU

ASP

SER

LEU

GLN

ASP

VAL

HIS

Samples:

sample_1: entity, [U-100% 15N], 0.5 ± 0.05 mM; potassium phosphate 100 ± 0 mM; potassium chloride 10 ± 0 mM; D2O 8 ± 0 %; H2O 92 ± 0 %

sample_2: entity, [U-98% 13C; U-98% 15N], 0.8 ± 0.05 mM; potassium phosphate 100 ± 0 mM; potassium chloride 10 ± 0 mM; D2O 8 ± 0 %; H2O 92 ± 0 %

sample_conditions_1: ionic strength: 110 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, CCPN - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 750 MHz

PDB	2KLX
EMBL	CAF27210 CDO39798 CDO46401 CUH90372
GB	ETS07795 ETS10040 ETS10550 ETS12211 KEC58084
REF	WP_011180337