BMRB Entry 16642

Name: High resolution structure of the second SH3 domain of CD2AP
Published: 2011-05-04

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PDB ID: 2krn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16642
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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:

High resolution structure of the second SH3 domain of CD2AP

Deposition date:

2009-12-21

Original release date:

2011-05-04

Authors:

Ortega Roldan, Jose-Luis; Azuaga, Ana; van Nuland, Nico

Citation:

Citation: Roldan, Jose L Ortega; Blackledge, Martin; van Nuland, Nico; Azuaga, Ana. "Solution structure, dynamics and thermodynamics of the three SH3 domains of CD2AP." J. Biomol. NMR 50, 103-117 (2011).
PubMed: 21519904

Assembly members:

Assembly members:
SH3-B, polymer, 60 residues, 6817.6 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGAT-2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3-B: GSMGRQCKVLFDYSPQNEDE LELIVGDVIDVIEEVEEGWW SGTLNNKLGLFPSNFVKELE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	428

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CD2AP SH3-B monomer	1

Entities:

Entity 1, CD2AP SH3-B monomer 60 residues - 6817.6 Da.

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

Samples:

sample_1: SH3-B 1 mM

sample_conditions_1: ionic strength: 0 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

RECOORD, Nederveen et al - refinement, structure solution

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - NOE assignment

NMR spectrometers:

Varian Uniform NMR System 600 MHz

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

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