BMRB: 7129

Solution Structure and Folding Characteristics of the C-Terminal SH3 Domain of c-Crk-II

Authors

Dutta, K., Muralidharan, V.

Assembly

SH3 domain

Entity

1. SH3 domain (polymer, Thiol state: all free), 76 monomers, 8518.501 Da Detail

GLPNLQNGPI YARVIQKRVP NAYDKTALAL EVGELVKVTK INVSGQWEGE CNGKRGHFPF THVRLLDQQN PDEDFS

Formula weight

8518.501 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 87.9 %, Completeness (bb): 96.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.9 % (788 of 896)	84.0 % (395 of 470)	90.7 % (311 of 343)	98.8 % (82 of 83)
Backbone	96.4 % (430 of 446)	96.8 % (149 of 154)	95.5 % (211 of 221)	98.6 % (70 of 71)
Sidechain	81.9 % (425 of 519)	77.8 % (246 of 316)	87.4 % (167 of 191)	100.0 % (12 of 12)
Aromatic	63.6 % (42 of 66)	63.6 % (21 of 33)	62.5 % (20 of 32)	100.0 % (1 of 1)
Methyl	82.9 % (68 of 82)	82.9 % (34 of 41)	82.9 % (34 of 41)

1. SH3 domain

GLPNLQNGPI YARVIQKRVP NAYDKTALAL EVGELVKVTK INVSGQWEGE CNGKRGHFPF THVRLLDQQN PDEDFS

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 7.2 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	SH3 domain	[U-100% 13C; U-100% 15N]	protein	0.5 mM
2	Tris			10 mM
3	NaCl			50 mM
4	EDTA			1 mM

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LACS Plot; CA

Referencing offset: 0.8 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.8 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.05 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.75 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2GGR, Strand ID: A Detail

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Release date

2007-02-06

Citation

Solution structure and folding characteristics of the C-terminal SH3 domain of c-Crk-II
Muralidharan, V., Dutta, K., Cho, J., Vila-Perello, M., Raleigh, D.P., Cowburn, D., Muir, T.W.
Biochemistry (2006), 45, 8874-8884, PubMed 16846230 , DOI 10.1021/bi060590z , Abstract

Related entities 1. SH3 domain, : 1 : 5 : 56 entities Detail

Interaction partners 1. SH3 domain, : 13 interactors Detail

Experiments performed 7 experiments Detail