BMRB: 6539

1H,15N,13C backbone and sidechain assignment for human ADAP hSH3-1 domain in oxidized form

Authors

Zimmermann, J., Freund, C.

Assembly

hSH3-1 domain

Entity

1. hSH3-1 domain (polymer, Thiol state: all disulfide bound), 96 monomers, 11038.61 Da Detail

EKKEQKEKEK KEQEIKKKFK LTGPIQVIHL AKACCDVKGG KNELSFKQGE QIEIIRITDN PEGKWLGRTA RGSYGYIKTT AVEIDYDSLK LKKDLE

Formula weight

11038.61 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Simulated Annealing with XPLOR NHI followed by water refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.4 %, Completeness: 64.2 %, Completeness (bb): 71.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	64.2 % (764 of 1190)	68.6 % (436 of 636)	55.1 % (249 of 452)	77.5 % (79 of 102)
Backbone	71.2 % (407 of 572)	83.8 % (166 of 198)	58.2 % (163 of 280)	83.0 % (78 of 94)
Sidechain	61.0 % (431 of 706)	61.6 % (270 of 438)	61.5 % (160 of 260)	12.5 % (1 of 8)
Aromatic	63.3 % (38 of 60)	63.3 % (19 of 30)	62.1 % (18 of 29)	100.0 % (1 of 1)
Methyl	77.7 % (73 of 94)	80.9 % (38 of 47)	74.5 % (35 of 47)

1. hSH3-1 domain

EKKEQKEKEK KEQEIKKKFK LTGPIQVIHL AKACCDVKGG KNELSFKQGE QIEIIRITDN PEGKWLGRTA RGSYGYIKTT AVEIDYDSLK LKKDLE

Show sample condition

Sample

Temperature 300 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	SH3 domain	[U-13C; U-15N]		1.0 (±0.05) mM
2	NaCl			20 mM
3	Potassiumdihydrogenphosphate			50 mM
4	Hydrogenperoxide			4 mM

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LACS Plot; CA

Referencing offset: -0.15 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.15 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.07 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 20 models in PDB: 2GTO, Strand ID: A Detail

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Release date

2005-07-25

Citation

NMR assignment of the reduced and oxidized forms of the human ADAP hSH3-1 domain
Zimmermann, J., Freund, C.
J. Biomol. NMR (2005), 32, 94-94, PubMed 16041492 , DOI 10.1007/s10858-005-3984-1 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. hSH3-1 domain, : 1 : 1 : 2 : 14 entities Detail

Interaction partners 1. hSH3-1 domain, : 12 interactors Detail

Experiments performed 5 experiments Detail