BMRB Entry 11318

Name: Solution Strutcure of the SH3 domain of the Cdc42-interacting protein 4
Published: 2011-08-19

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PDB ID: 2ct4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11318
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 Strutcure of the SH3 domain of the Cdc42-interacting protein 4

Deposition date:

2010-08-10

Original release date:

2011-08-19

Authors:

Miyamoto, K.; Tomizawa, T.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation:

Citation: Miyamoto, K.; Tomizawa, T.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution Strutcure of the SH3 domain of the Cdc42-interacting protein 4" .

Assembly members:

Assembly members:
SH3 domain, polymer, 70 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: P041213-01

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGGHCVAIYHFEGSS EGTISMAEGEDLSLMEEDKG DGWTRVRRKEGGEGYVPTSY LRVTSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	257
15N chemical shifts	61
1H chemical shifts	389

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 70 residues - Formula weight is not available

1	GLY	SER	SER	GLY	SER	SER	GLY	GLY	HIS	CYS
2	VAL	ALA	ILE	TYR	HIS	PHE	GLU	GLY	SER	SER
3	GLU	GLY	THR	ILE	SER	MET	ALA	GLU	GLY	GLU
4	ASP	LEU	SER	LEU	MET	GLU	GLU	ASP	LYS	GLY
5	ASP	GLY	TRP	THR	ARG	VAL	ARG	ARG	LYS	GLU
6	GLY	GLY	GLU	GLY	TYR	VAL	PRO	THR	SER	TYR
7	LEU	ARG	VAL	THR	SER	GLY	PRO	SER	SER	GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 1.36 mM; d-Tris-HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 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 v3.5, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

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

Kujira v0.925, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 700 MHz

PDB	2CT4
DBJ	BAD96829 BAE00629 BAF80144 BAG36103 BAK63850
EMBL	CAA04062 CAG38751 CAH90516
GB	AAC41729 AAH13002 AAI33400 AAM46851 AAP35344
REF	NP_001074999 NP_001125273 NP_001275891 NP_004231 XP_001092276
SP	Q15642 Q5RCJ1
AlphaFold	Q15642 Q5RCJ1

1	GLY	SER	SER	GLY	SER	SER	GLY	GLY	HIS	CYS
2	VAL	ALA	ILE	TYR	HIS	PHE	GLU	GLY	SER	SER
3	GLU	GLY	THR	ILE	SER	MET	ALA	GLU	GLY	GLU
4	ASP	LEU	SER	LEU	MET	GLU	GLU	ASP	LYS	GLY
5	ASP	GLY	TRP	THR	ARG	VAL	ARG	ARG	LYS	GLU
6	GLY	GLY	GLU	GLY	TYR	VAL	PRO	THR	SER	TYR
7	LEU	ARG	VAL	THR	SER	GLY	PRO	SER	SER	GLY

1	GLY	SER	SER	GLY	SER	SER	GLY	GLY	HIS	CYS
2	VAL	ALA	ILE	TYR	HIS	PHE	GLU	GLY	SER	SER
3	GLU	GLY	THR	ILE	SER	MET	ALA	GLU	GLY	GLU
4	ASP	LEU	SER	LEU	MET	GLU	GLU	ASP	LYS	GLY
5	ASP	GLY	TRP	THR	ARG	VAL	ARG	ARG	LYS	GLU
6	GLY	GLY	GLU	GLY	TYR	VAL	PRO	THR	SER	TYR
7	LEU	ARG	VAL	THR	SER	GLY	PRO	SER	SER	GLY