BMRB: 11213

Solution structure of the SH3 domain of Hypothetical protein SH3YL1

Authors

Qin, X., Nagasima, T., Hayashi, F., Yokoyama, S.

Assembly

SH3YL1 protein

Entity

1. SH3YL1 protein (polymer, Thiol state: not present), 80 monomers, 8588.207 Da Detail

GSSGSSGHER VGNLNQPIEV TALYSFEGQQ PGDLNFQAGD RITVISKTDS HFDWWEGKLR GQTGIFPANY VTMNSGPSSG

Formula weight

8588.207 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: 94.9 %, Completeness (bb): 92.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.9 % (838 of 883)	94.5 % (432 of 457)	96.2 % (325 of 338)	92.0 % (81 of 88)
Backbone	92.8 % (438 of 472)	91.7 % (154 of 168)	94.3 % (215 of 228)	90.8 % (69 of 76)
Sidechain	97.1 % (465 of 479)	96.2 % (278 of 289)	98.3 % (175 of 178)	100.0 % (12 of 12)
Aromatic	100.0 % (88 of 88)	100.0 % (44 of 44)	100.0 % (42 of 42)	100.0 % (2 of 2)
Methyl	98.4 % (63 of 64)	96.9 % (31 of 32)	100.0 % (32 of 32)

1. SH3 domain

GSSGSSGHER VGNLNQPIEV TALYSFEGQQ PGDLNFQAGD RITVISKTDS HFDWWEGKLR GQTGIFPANY VTMNSGPSSG

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 1.19mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3

#	Name	Isotope labeling	Type	Concentration
1	SH3 domain	[U-13C; U-15N]	protein	1.19 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: -0.14 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: -0.14 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: -0.03 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; CO

Referencing offset: 0.55 ppm, Outliers: 2 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: 2D8H, Strand ID: A Detail

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Release date

2011-07-20

Citation

Solution structure of the SH3 domain of Hypothetical protein SH3YL1
Qin, X., Nagasima, T., Hayashi, F., Yokoyama, S.

Related entities 1. SH3YL1 protein, : 1 : 3 : 65 entities Detail

Interaction partners 1. SH3YL1 protein, : 5 interactors Detail

Experiments performed 2 experiments Detail