BMRB Entry 6836

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6836

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution Structure of HndAc : A Thioredoxin-like Domain Involved in the NADP-reducing Hydrogenase Complex.

Deposition date:

2005-09-26

Original release date:

2006-06-28

Authors:

Nouailler, Matthieu; Morelli, Xavier; Bornet, Olivier; Chetrit, Bernard; Dermoun, Zorrah; Guerlesquin, Francoise

Citation:

Citation: Nouailler, Matthieu; Morelli, Xavier; Bornet, Olivier; Chetrit, Bernard; Dermoun, Zorrah; Guerlesquin, Francoise. "Solution structure of HndAc: A thioredoxin-like domain involved in the NADP-reducing hydrogenase complex" Protein Sci. 15, 1369-1378 (2006).
PubMed: 16731971

Assembly members:

Assembly members:
HndAc, polymer, 85 residues, Formula weight is not available
FES, non-polymer, 175.820 Da.

Natural source:

Natural source: Common Name: Desulfovibrio fructosovorans Taxonomy ID: 878 Superkingdom: Eubacteria Kingdom: Not applicable Genus/species: Desulfovibrio fructosovorans

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HndAc: MVPKGKYPISVCMGTACFVK GADKVVHAFKEQLKIDIGDV TPDGRFSIDTLRCVGGCALA PIVMVGEKVYGNVTPGQVKK ILAEY

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	130
15N chemical shifts	64
1H chemical shifts	336

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HndAc domain	1
2	cluster [2Fe-2S]	2

Entities:

Entity 1, HndAc domain 85 residues - Formula weight is not available

1

MET

VAL

PRO

LYS

GLY

LYS

TYR

PRO

ILE

SER

2

VAL

CYS

MET

GLY

THR

ALA

CYS

PHE

VAL

LYS

3

GLY

ALA

ASP

LYS

VAL

HIS

ALA

PHE

LYS

4

GLU

GLN

LEU

LYS

ILE

ASP

ILE

GLY

ASP

VAL

5

THR

PRO

ASP

GLY

ARG

PHE

SER

ILE

ASP

THR

6

LEU

ARG

CYS

VAL

GLY

CYS

ALA

LEU

ALA

7

PRO

ILE

VAL

MET

VAL

GLY

GLU

LYS

VAL

TYR

8

GLY

ASN

VAL

THR

PRO

GLY

GLN

VAL

LYS

9

ILE

LEU

ALA

GLU

TYR

Entity 2, cluster [2Fe-2S] - Fe2 S2 - 175.820 Da.

1

FES

Samples:

sample_1: HndAc 1 mM; cluster [2Fe-2S] 4 mM

sample_2: HndAc, [U-13C; U-15N], 0.15 mM; cluster [2Fe-2S] 0.60 mM

conditions_1: pH: 5.9; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D_TOCSY	not available	not available	conditions_1
2D_NOESY	sample_1	not available	conditions_1
2D_COSY	not available	not available	conditions_1
2D_TOCSY-HSQC	not available	not available	conditions_1
2D_NOESY-HSQC	not available	not available	conditions_1
3D_TOCSY-HSQC	not available	not available	conditions_1
3D_NOESY-HSQC	not available	not available	conditions_1
15N_HSQC	not available	not available	conditions_1
13C_HSQC	not available	not available	conditions_1
3D_HNCA	not available	not available	conditions_1
3D_HNHA	not available	not available	conditions_1
3D_CBCACONH	not available	not available	conditions_1
3D_HCCH_TOCSY	not available	not available	conditions_1
3D_HNCO	not available	not available	conditions_1
3D_HNCACO	not available	not available	conditions_1

Software:

Xwin-nmr v3.1, BRUKER - aquisition and processing

FELIX v2002, accelrys -

NMR spectrometers:

BRUKER AVANCE DRX 500 MHz
VARIAN INOVA 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks