BMRB: 11220

Solution structure of the second SH3 domain of human KIAA0769 protein

Authors

Qin, X., Kurosaki, C., Yoshida, M., Hayashi, F., Yokoyama, S.

Assembly

second SH3 domain of human KIAA0769 protein

Entity

1. second SH3 domain of human KIAA0769 protein (polymer, Thiol state: all free), 73 monomers, 7807.323 Da Detail

GSSGSSGVCF VKALYDYEGQ TDDELSFPEG AIIRILNKEN QDDDGFWEGE FNGRIGVFPS VLVEELSSGP SSG

Formula weight

7807.323 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.2 %, Completeness: 94.5 %, Completeness (bb): 92.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.5 % (753 of 797)	93.9 % (386 of 411)	95.8 % (297 of 310)	92.1 % (70 of 76)
Backbone	92.1 % (398 of 432)	90.3 % (139 of 154)	93.8 % (195 of 208)	91.4 % (64 of 70)
Sidechain	97.0 % (414 of 427)	96.1 % (247 of 257)	98.2 % (161 of 164)	100.0 % (6 of 6)
Aromatic	97.4 % (76 of 78)	94.9 % (37 of 39)	100.0 % (38 of 38)	100.0 % (1 of 1)
Methyl	100.0 % (62 of 62)	100.0 % (31 of 31)	100.0 % (31 of 31)

1. SH3 domain

GSSGSSGVCF VKALYDYEGQ TDDELSFPEG AIIRILNKEN QDDDGFWEGE FNGRIGVFPS VLVEELSSGP SSG

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 1.24mM 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	1.24 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: 2.37 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; CB

Referencing offset: 2.37 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; HA

Referencing offset: 0.13 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: 2.97 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: 2DL7, Strand ID: A Detail

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Release date

2011-07-20

Citation

Solution structure of the second SH3 domain of human KIAA0769 protein
Qin, X., Kurosaki, C., Yoshida, M., Hayashi, F., Yokoyama, S.

Related entities 1. second SH3 domain of human KIAA0769 protein, : 1 : 161 entities Detail

Interaction partners 1. second SH3 domain of human KIAA0769 protein, : 24 interactors Detail

Experiments performed 2 experiments Detail