BMRB: 10337

Solution structure of SH3 domain in Suppressor of T-cell receptor signaling 1

Authors

Sukegawa, S., Tsuda, K., Muto, Y., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Yokoyama, S.

Assembly

Suppressor of T-cell receptor signaling 1

Entity

1. Suppressor of T-cell receptor signaling 1 (polymer, Thiol state: all free), 94 monomers, 10145.92 Da Detail

GSSGSSGSRD IRFANHETLQ VIYPYTPQND DELELVPGDF IFMSPMEQTS TSEGWIYGTS LTTGCSGLLP ENYITKADEC STWIFHGSSG PSSG

Formula weight

10145.92 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, restrainted molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.1 %, Completeness: 86.2 %, Completeness (bb): 82.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.2 % (883 of 1024)	85.9 % (451 of 525)	87.6 % (353 of 403)	82.3 % (79 of 96)
Backbone	82.1 % (453 of 552)	79.8 % (154 of 193)	83.8 % (227 of 271)	81.8 % (72 of 88)
Sidechain	89.5 % (497 of 555)	88.6 % (294 of 332)	91.2 % (196 of 215)	87.5 % (7 of 8)
Aromatic	88.5 % (92 of 104)	88.5 % (46 of 52)	88.0 % (44 of 50)	100.0 % (2 of 2)
Methyl	98.7 % (77 of 78)	97.4 % (38 of 39)	100.0 % (39 of 39)

1. SH3 domain

GSSGSSGSRD IRFANHETLQ VIYPYTPQND DELELVPGDF IFMSPMEQTS TSEGWIYGTS LTTGCSGLLP ENYITKADEC STWIFHGSSG PSSG

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 13C-15N 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	1.18 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: 0.02 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: 0.02 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: -0.03 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: 0.26 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: 2E5K, Strand ID: A Detail

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Release date

2012-08-13

Citation

Solution structure of SH3 domain in Suppressor of T-cell receptor signaling 1
Sukegawa, S., Tsuda, K., Muto, Y., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Yokoyama, S.

Related entities 1. Suppressor of T-cell receptor signaling 1, : 1 : 2 : 42 entities Detail

Interaction partners 1. Suppressor of T-cell receptor signaling 1, : 29 interactors Detail

Experiments performed 2 experiments Detail