BMRB: 11219

Solution structure of the first SH3 domain of human sorbin and Sh3 domain-containing protein 1

Authors

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

Assembly

Sorbin and SH3 domain-containing protein 1

Entity

1. Sorbin and SH3 domain-containing protein 1 (polymer, Thiol state: not present), 68 monomers, 7583.404 Da Detail

GSSGSSGRPA RAKFDFKAQT LKELPLQKGD IVYIYKQIDQ NWYEGEHHGR VGIFPRTYIE LLSGPSSG

Formula weight

7583.404 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: 94.6 %, Completeness (bb): 91.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.6 % (758 of 801)	94.8 % (399 of 421)	95.2 % (295 of 310)	91.4 % (64 of 70)
Backbone	91.8 % (367 of 400)	91.5 % (129 of 141)	92.3 % (180 of 195)	90.6 % (58 of 64)
Sidechain	97.2 % (447 of 460)	96.4 % (270 of 280)	98.3 % (171 of 174)	100.0 % (6 of 6)
Aromatic	100.0 % (82 of 82)	100.0 % (41 of 41)	100.0 % (40 of 40)	100.0 % (1 of 1)
Methyl	100.0 % (58 of 58)	100.0 % (29 of 29)	100.0 % (29 of 29)

1. SH3 domain

GSSGSSGRPA RAKFDFKAQT LKELPLQKGD IVYIYKQIDQ NWYEGEHHGR VGIFPRTYIE LLSGPSSG

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 1.00mM 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	1.00 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: -0.01 ppm, Outliers: 2 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; CB

Referencing offset: -0.01 ppm, Outliers: 2 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: -0.01 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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.36 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	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: 2DL3, Strand ID: A Detail

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Release date

2011-07-20

Citation

Solution structure of the first SH3 domain of human sorbin and Sh3 domain-containing protein 1
Qin, X., Nagashima, T., Hayashi, F., Yokoyama, S.

Related entities 1. Sorbin and SH3 domain-containing protein 1, : 1 : 4 : 201 entities Detail

Interaction partners 1. Sorbin and SH3 domain-containing protein 1, : 29 interactors Detail

Experiments performed 2 experiments Detail