BMRB: 5729

Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble of the Sem-5 C-terminal SH3 Domain

Authors

Chu, J.Y., Volk, D.E., Luxon, B.A., Gorenstein, D.G., Hilser, V.

Assembly

C-terminal SH3 domain of SEM-5 from C. elegans

Entity

1. C-terminal SH3 domain of SEM-5 from C. elegans (polymer, Thiol state: not present), 62 monomers, 7231.892 Da Detail

HMETKFVEAL FDFNPQESGE LAFKRGDVIT LINKDDPNWW EGQLNNRRGI FPSNYVAPYN SN

Formula weight

7231.892 Da

Source organism

Mus musculus

Exptl. method

NMR

Refine. method

distance geometry,

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.9 %, Completeness (bb): 97.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	97.9 % (736 of 752)	98.0 % (386 of 394)	98.3 % (283 of 288)	95.7 % (67 of 70)
Backbone	97.0 % (353 of 364)	97.6 % (121 of 124)	97.3 % (177 of 182)	94.8 % (55 of 58)
Sidechain	98.9 % (441 of 446)	98.1 % (265 of 270)	100.0 % (164 of 164)	100.0 % (12 of 12)
Aromatic	100.0 % (94 of 94)	100.0 % (47 of 47)	100.0 % (45 of 45)	100.0 % (2 of 2)
Methyl	100.0 % (50 of 50)	100.0 % (25 of 25)	100.0 % (25 of 25)

1. SH3 Domain

HMETKFVEAL FDFNPQESGE LAFKRGDVIT LINKDDPNWW EGQLNNRRGI FPSNYVAPYN SN

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Sample

Temperature 298 (±1) K, pH 4.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SH3 Domain	[U-95% 13C; U-95% 15N]		2.0 mM

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LACS Plot; CA

Referencing offset: -0.7 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.7 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.09 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 1.43 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 16 models in PDB: 1KFZ, Strand ID: A Detail

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Release date

2003-08-07

Citation

Solution structure, dynamics, and thermodynamics of the native state ensemble of the Sem-5 C-terminal SH3 domain
Ferreon, J.C., Volk, D.E., Luxon, B.A., Gorenstein, D.G., Hilser, V.J.
Biochemistry (2003), 42, 5582-5591, PubMed 12741814 , DOI 10.1021/bi030005j , Abstract

Related entities 1. C-terminal SH3 domain of SEM-5 from C. elegans, : 1 : 1 : 283 entities Detail

Interaction partners 1. C-terminal SH3 domain of SEM-5 from C. elegans, : 24 interactors Detail