BMRB Entry 11356

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PDB ID: 1ujy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11356
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:

Solution structure of SH3 domain in Rac/Cdc42 guanine nucleotide exchange factor(GEF) 6

Deposition date:

2010-09-07

Original release date:

2011-09-07

Authors:

He, F.; Muto, Y.; Uda, H.; Koshiba, S.; Shirouzu, M.; Terada, T.; Kigawa, T.; Inoue, M.; Yabuki, T.; Aoki, M.; Seki, E.; Matsuda, T.; Hirota, H.; Yoshida, M.; Kobayashi, N.; Tanaka, A.; Osanai, T.; Matsuo, Y.; Ohara, O.; Nagase, T.; Kikuno, R.; Nagayama, M.; Yokoyama, S.

Citation:

Citation: He, F.; Muto, Y.; Uda, H.; Koshiba, S.; Shirouzu, M.; Terada, T.; Kigawa, T.; Inoue, M.; Yabuki, T.; Aoki, M.; Seki, E.; Matsuda, T.; Hirota, H.; Yoshida, M.; Kobayashi, N.; Tanaka, A.; Osanai, T.; Matsuo, Y.; Ohara, O.; Nagase, T.; Kikuno, R.; Nagayama, M.; Yokoyama, S.. "Solution structure of SH3 domain in Rac/Cdc42 guanine nucleotide exchange factor(GEF) 6" .

Assembly members:

Assembly members:
SH3 domain, polymer, 76 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: cell free synthesis Host organism: E. coli - cell free Vector: P021021-16

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGSHQLIVKARFNFK QTNEDELSVCKGDIIYVTRV EEGGWWEGTLNGRTGWFPSN YVREIKSSERSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	299
15N chemical shifts	72
1H chemical shifts	462

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH3 domain	1

Entities:

Entity 1, SH3 domain 76 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

SER

HIS

GLN

2

LEU

ILE

VAL

LYS

ALA

ARG

PHE

ASN

PHE

LYS

3

GLN

THR

ASN

GLU

ASP

GLU

LEU

SER

VAL

CYS

4

LYS

GLY

ASP

ILE

TYR

VAL

THR

ARG

VAL

5

GLU

GLY

TRP

GLU

GLY

THR

LEU

6

ASN

GLY

ARG

THR

GLY

TRP

PHE

PRO

SER

ASN

7

TYR

VAL

ARG

GLU

ILE

LYS

SER

GLU

ARG

8

SER

GLY

PRO

SER

GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 0.8 mM; phosphate buffer NA 20 mM; NaCl 100 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	sample_1	isotropic	condition_1
3D 13C-separated NOESY	sample_1	isotropic	condition_1

Software:

xwinnmr v2.6, Bruker - collection

NMRPipe v20020425, Delaglio F. - processing

NMRView v5.0.4, Johnson B.A. - data analysis

Kujira v0.811, Kobayashi N. - data analysis

CYANA v1.0.7, Guntert P. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz

PDB	1UJY
DBJ	BAA04985 BAC30599 BAF84431 BAH11929 BAH13153
EMBL	CAD97632
GB	AAH39856 AAH43505 AAI56698 AAM94903 AAU43636
REF	NP_001005565 NP_001179929 NP_001253502 NP_001293106 NP_004831
SP	Q15052 Q5XXR3 Q8K4I3
TPG	DAA13327
AlphaFold	Q15052 Q5XXR3 Q8K4I3