BMRB: 6536

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

Authors

Zimmermann, J., Freund, C.

Assembly

hSH3-1 domain

Entity

1. hSH3-1 domain (polymer, Thiol state: all free), 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

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.7 %, Completeness: 66.6 %, Completeness (bb): 76.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	66.6 % (792 of 1190)	69.7 % (443 of 636)	58.2 % (263 of 452)	84.3 % (86 of 102)
Backbone	76.4 % (437 of 572)	85.4 % (169 of 198)	65.4 % (183 of 280)	90.4 % (85 of 94)
Sidechain	57.8 % (408 of 706)	62.6 % (274 of 438)	51.2 % (133 of 260)	12.5 % (1 of 8)
Aromatic	50.0 % (30 of 60)	50.0 % (15 of 30)	48.3 % (14 of 29)	100.0 % (1 of 1)
Methyl	77.7 % (73 of 94)	78.7 % (37 of 47)	76.6 % (36 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	Dithtiothreitol			10 mM

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LACS Plot; CA

Referencing offset: -0.42 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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LACS Plot; CB

Referencing offset: -0.42 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: -0.05 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: 2.17 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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Protein Blocks Logo

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

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Release date

2015-05-07

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

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