BMRB: 10272

Solution structures of the SH3 domain of human KIAA0418

Authors

Inoue, M., Sato, M., Tochio, N., Koshiba, S., Kigawa, T., Yokoyama, S.

Assembly

SH3 and PX domain-containing protein 2A

Entity

1. SH3 and PX domain-containing protein 2A (polymer, Thiol state: all free), 80 monomers, 8620.168 Da Detail

GSSGSSGATS YMTCSAYQKV QDSEISFPAG VEVQVLEKQE SGWWYVRFGE LEGWAPSHYL VLDENEQPDP SGKESGPSSG

Formula weight

8620.168 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.8 %, Completeness: 93.8 %, Completeness (bb): 91.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.8 % (823 of 877)	93.6 % (425 of 454)	94.7 % (321 of 339)	91.7 % (77 of 84)
Backbone	91.3 % (429 of 470)	90.3 % (149 of 165)	92.2 % (212 of 230)	90.7 % (68 of 75)
Sidechain	96.4 % (460 of 477)	95.5 % (276 of 289)	97.8 % (175 of 179)	100.0 % (9 of 9)
Aromatic	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (43 of 43)	100.0 % (3 of 3)
Methyl	100.0 % (56 of 56)	100.0 % (28 of 28)	100.0 % (28 of 28)

1. SH3 domain

GSSGSSGATS YMTCSAYQKV QDSEISFPAG VEVQVLEKQE SGWWYVRFGE LEGWAPSHYL VLDENEQPDP SGKESGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05)

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

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LACS Plot; CA

Referencing offset: -0.21 ppm, Outliers: 4 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: -0.21 ppm, Outliers: 4 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: -0.03 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: 0.32 ppm, Outliers: 5 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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Protein Blocks Logo

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

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Release date

2009-12-13

Citation

Solution structures of the SH3 domain of human KIAA0418
Sato, M., Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. SH3 and PX domain-containing protein 2A, : 1 : 2 : 59 entities Detail

Interaction partners 1. SH3 and PX domain-containing protein 2A, : 8 interactors Detail

Experiments performed 2 experiments Detail