BMRB: 11299

Solution structure of the SH3 domain of the human Proline-serine-threonine phosphatase-interacting protein 1

Authors

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

Assembly

Proline-serine-threonine phosphatase-interacting protein 1

Entity

1. Proline-serine-threonine phosphatase-interacting protein 1 (polymer, Thiol state: not present), 69 monomers, 7383.801 Da Detail

GSSGSSGAQE YRALYDYTAQ NPDELDLSAG DILEVILEGE DGWWTVERNG QRGFVPGSYL EKLSGPSSG

Formula weight

7383.801 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.9 %, Completeness: 90.9 %, Completeness (bb): 88.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.9 % (676 of 744)	90.4 % (347 of 384)	91.3 % (262 of 287)	91.8 % (67 of 73)
Backbone	88.0 % (359 of 408)	86.3 % (126 of 146)	88.3 % (173 of 196)	90.9 % (60 of 66)
Sidechain	93.9 % (370 of 394)	92.9 % (221 of 238)	95.3 % (142 of 149)	100.0 % (7 of 7)
Aromatic	100.0 % (66 of 66)	100.0 % (33 of 33)	100.0 % (31 of 31)	100.0 % (2 of 2)
Methyl	100.0 % (60 of 60)	100.0 % (30 of 30)	100.0 % (30 of 30)

1. SH3 domain

GSSGSSGAQE YRALYDYTAQ NPDELDLSAG DILEVILEGE DGWWTVERNG QRGFVPGSYL EKLSGPSSG

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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 1.07mM SH3 domian {U-15N,13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SH3 domian	[U-13C; U-15N]	protein	1.07 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: 0.09 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; CB

Referencing offset: 0.09 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: -0.79 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: 0.44 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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Protein Blocks Logo

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

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Release date

2011-08-18

Citation

Solution structure of the SH3 domain of the human Proline-serine-threonine phosphatase-interacting protein 1
Yoneyama, M., Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Proline-serine-threonine phosphatase-interacting protein 1, : 1 : 280 entities Detail

Interaction partners 1. Proline-serine-threonine phosphatase-interacting protein 1, : 63 interactors Detail

Experiments performed 2 experiments Detail