BMRB Entry 6263

Name: Solution Structure of a Loop Truncated Mutant from D. gigas Rubredoxin, NMR
Published: 2005-03-15

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PDB ID: 1spw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6263
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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 a Loop Truncated Mutant from D. gigas Rubredoxin, NMR

Deposition date:

2004-07-16

Original release date:

2005-03-15

Authors:

Pais, T.; Lamosa, P.; dos Santos, W.; LeGall, J.; Turner, D.; Santos, H.

Citation:

Citation: Pais, T.; Lamosa, P.; dos Santos, W.; LeGall, J.; Turner, D.; Santos, H.. "Structural Determinants of Protein Stabilization by Solutes: The Important of the Hair-pin Loop in Rubredoxins" FEBS J. 272, 999-1011 (2005).
PubMed: 15691333

Assembly members:

Assembly members:
Rubredoxin, polymer, 39 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Desulfovibrio gigas Taxonomy ID: 879 Superkingdom: Bacteria Kingdom: not available Genus/species: Desulfovibrio gigas

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pT7-7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Rubredoxin: MDIYVCTVCGYEYDPAFEDL PDDWACPVCGASKDAFEKQ

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	219

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Rubredoxin	1

Entities:

Entity 1, Rubredoxin 39 residues - Formula weight is not available

1

MET

ASP

ILE

TYR

VAL

CYS

THR

VAL

CYS

GLY

2

TYR

GLU

TYR

ASP

PRO

ALA

PHE

GLU

ASP

LEU

3

PRO

ASP

TRP

ALA

CYS

PRO

VAL

CYS

GLY

4

ALA

SER

LYS

ASP

ALA

PHE

GLU

LYS

GLN

Samples:

sample_1: Rubredoxin 4 mM; H2O 90%; D2O 10%; NaCl 20 mM

sample_cond_1: ionic strength: 20 mM; pH: 7.6; pressure: 1 atm; temperature: 303 K

sample_cond_2: ionic strength: 20 mM; pH: 7.6; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	not available
2D TOCSY	not available	not available	not available
COSY	not available	not available	not available

Software:

xwinnmr v3.1 - processing

DYANA v1.4 with modifications - iterative matrix relaxation

XEASY v1.3.10 - data analysis

GLOMSA - refinement

ProcheckNMR v3.4.4 - data analysis

NMR spectrometers:

Bruker DRX 500 MHz