BMRB Entry 6894

Name: New insights into binding of the possible cancer target RalGDS
Published: 2009-10-13

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PDB ID: 2b3a
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6894
MolProbity Validation Chart

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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:

New insights into binding of the possible cancer target RalGDS

Deposition date:

2004-11-10

Original release date:

2009-10-13

Authors:

Gronwald, W.; Maurer, T.; Fuechsl, R.; Wohlgemuth, S.; Herrmann, C.; Kalbitzer, H.

Citation:

Citation: Gronwald, W.; Maurer, T.; Fuechsl, R.; Wohlgemuth, S.; Herrmann, C.; Kalbitzer, H.. "New insights into binding of the possible cancer target RalGDS" .

Assembly members:

Assembly members:
Ral guanine nucleotide dissociation stimulator, polymer, 87 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ral guanine nucleotide dissociation stimulator: DCCIIRVSLDVDNGNMYKSI LVTSQDKAPAVIRKAMDKHN LEEEEPEDYELLQILSDDRK LKIPENANVFYAMNSTANYD FVLKKRT

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	349
15N chemical shifts	93
1H chemical shifts	605

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ral guanine nucleotide dissociation stimulator	1

Entities:

Entity 1, Ral guanine nucleotide dissociation stimulator 87 residues - Formula weight is not available

1

ASP

CYS

ILE

ARG

VAL

SER

LEU

ASP

2

VAL

ASP

ASN

GLY

ASN

MET

TYR

LYS

SER

ILE

3

LEU

VAL

THR

SER

GLN

ASP

LYS

ALA

PRO

ALA

4

VAL

ILE

ARG

LYS

ALA

MET

ASP

LYS

HIS

ASN

5

LEU

GLU

PRO

GLU

ASP

TYR

GLU

6

LEU

GLN

ILE

LEU

SER

ASP

ARG

LYS

7

LEU

LYS

ILE

PRO

GLU

ASN

ALA

ASN

VAL

PHE

8

TYR

ALA

MET

ASN

SER

THR

ALA

ASN

TYR

ASP

9

PHE

VAL

LEU

LYS

ARG

THR

Samples:

sample_1: Ral guanine nucleotide dissociation stimulator 1.0 mM; potassium buffer 20 mM; dithioerythritol (DTE) 2 mM; EDTA 0.5 mM; NaN3 0.5 mM; 2,2-dimethyl-2-silapentane sulfonic acid(DSS) 0.1 mM; H2O 95%; D2O 5%

sample_2: Ral guanine nucleotide dissociation stimulator, [U-13C; U-15N], 2.9 mM; potassium buffer 20 mM; dithioerythritol (DTE) 2 mM; EDTA 0.5 mM; NaN3 0.5 mM; 2,2-dimethyl-2-silapentane sulfonic acid(DSS) 0.1 mM; H2O 95%; D2O 5%

sample_3: Ral guanine nucleotide dissociation stimulator 1.0 mM; potassium buffer 20 mM; dithioerythritol (DTE) 2 mM; EDTA 0.5 mM; NaN3 0.5 mM; 2,2-dimethyl-2-silapentane sulfonic acid(DSS) 0.1 mM; H2O 95%; D2O 100%

sample_cond_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available

Software:

xwinnmr v2.6 - collection, processing

AUREMOL v2.2 - data analysis, iterative matrix relaxation

CNS v1.1 - structure solution

X-PLOR NIH v2.9.6 - refinement

NMR spectrometers:

Bruker DMX 600 MHz

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