BMRB: 11217

Solution structure of the first SH3 domain of Stac protein

Authors

Qin, X., Suetake, T., Hayashi, F., Yokoyama, S.

Assembly

SH3 domain of Stac protein

Entity

1. SH3 domain of Stac protein (polymer, Thiol state: not present), 68 monomers, 7553.219 Da Detail

GSSGSSGNTY VALYKFVPQE NEDLEMRPGD IITLLEDSNE DWWKGKIQDR IGFFPANFVQ RLSGPSSG

Formula weight

7553.219 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.6 %, Completeness: 94.8 %, Completeness (bb): 92.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.8 % (744 of 785)	94.4 % (387 of 410)	95.7 % (289 of 302)	93.2 % (68 of 73)
Backbone	92.0 % (368 of 400)	90.0 % (126 of 140)	93.4 % (183 of 196)	92.2 % (59 of 64)
Sidechain	97.5 % (434 of 445)	97.0 % (262 of 270)	98.2 % (163 of 166)	100.0 % (9 of 9)
Aromatic	100.0 % (80 of 80)	100.0 % (40 of 40)	100.0 % (38 of 38)	100.0 % (2 of 2)
Methyl	100.0 % (56 of 56)	100.0 % (28 of 28)	100.0 % (28 of 28)

1. SH3 domain

GSSGSSGNTY VALYKFVPQE NEDLEMRPGD IITLLEDSNE DWWKGKIQDR IGFFPANFVQ RLSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 1.09mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SH3 domain	[U-13C; U-15N]	protein	1.09 mM
2	d-Tris-HCl	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: -0.25 ppm, Outliers: 3 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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.25 ppm, Outliers: 3 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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.02 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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.68 ppm, Outliers: 3 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	null	indirect	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: 2DL4, Strand ID: A Detail

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Release date

2011-07-20

Citation

Solution structure of the first SH3 domain of Stac protein
Qin, X., Suetake, T., Hayashi, F., Yokoyama, S.

Related entities 1. SH3 domain of Stac protein, : 1 : 2 : 145 entities Detail

Interaction partners 1. SH3 domain of Stac protein, : 8 interactors Detail

Experiments performed 2 experiments Detail