BMRB: 11194

Solution structure of the fifth SH3 domain from human KIAA0418 protein

Authors

Inoue, K., Kurosaki, C., Yoshida, M., Hayashi, F., Yokoyama, S.

Assembly

SH3 and PX domain-containing protein 2A

Entity

1. SH3 and PX domain-containing protein 2A (polymer, Thiol state: all free), 75 monomers, 8149.783 Da Detail

GSSGSSGNLK DVYVSIADYE GDEETAGFQE GVSMEVLERN PNGWWYCQIL DGVKPFKGWV PSNYLEKKNS GPSSG

Formula weight

8149.783 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.0 %, Completeness: 93.5 %, Completeness (bb): 89.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.5 % (785 of 840)	93.8 % (410 of 437)	93.8 % (302 of 322)	90.1 % (73 of 81)
Backbone	89.8 % (397 of 442)	89.2 % (140 of 157)	90.7 % (194 of 214)	88.7 % (63 of 71)
Sidechain	97.0 % (448 of 462)	96.4 % (270 of 280)	97.7 % (168 of 172)	100.0 % (10 of 10)
Aromatic	100.0 % (88 of 88)	100.0 % (44 of 44)	100.0 % (41 of 41)	100.0 % (3 of 3)
Methyl	100.0 % (54 of 54)	100.0 % (27 of 27)	100.0 % (27 of 27)

1. SH3 domain

GSSGSSGNLK DVYVSIADYE GDEETAGFQE GVSMEVLERN PNGWWYCQIL DGVKPFKGWV PSNYLEKKNS GPSSG

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 1.18mM U-15N,13C-labeled {protein;} 20mM {d-Tris-HCl;} 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	1.18 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: 0.07 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; CB

Referencing offset: 0.07 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: -0.06 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: 0.8 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	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: 2EGC, Strand ID: A Detail

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Release date

2011-07-19

Citation

Solution structure of the fifth SH3 domain from human KIAA0418 protein
Inoue, K., Kurosaki, C., Yoshida, M., Hayashi, F., Yokoyama, S.

Related entities 1. SH3 and PX domain-containing protein 2A, : 1 : 3 : 145 entities Detail

Interaction partners 1. SH3 and PX domain-containing protein 2A, : 7 interactors Detail

Experiments performed 2 experiments Detail