BMRB: 6114

1H, 13C and 15N resonance assignment of the C-terminal BRCT domain from human BRCA1

Authors

Gaiser, O.J., Oschkinat, H., Heinemann, U., Ball, L.J.

Assembly

BRCTc domain

Entity

1. BRCTc domain (polymer, Thiol state: all free), 110 monomers, 12357.95 Da Detail

GSQDRKIFRG LEICCYGPFT NMPTDQLEWM VQLCGASVVK ELSSFTLGTG VHPIVVVQPD AWTEDNGFHA IGQMCEAPVV TREWVLDSVA LYQCQELDTY LIPQIPHSHY

Formula weight

12357.95 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing, distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.3 %, Completeness (bb): 94.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.3 % (1160 of 1270)	91.3 % (595 of 652)	91.4 % (459 of 502)	91.4 % (106 of 116)
Backbone	94.4 % (610 of 646)	95.5 % (211 of 221)	93.8 % (302 of 322)	94.2 % (97 of 103)
Sidechain	89.1 % (647 of 726)	89.1 % (384 of 431)	90.1 % (254 of 282)	69.2 % (9 of 13)
Aromatic	84.7 % (105 of 124)	87.1 % (54 of 62)	81.4 % (48 of 59)	100.0 % (3 of 3)
Methyl	93.0 % (119 of 128)	92.2 % (59 of 64)	93.8 % (60 of 64)

1. C-terminal BRCT domain from human BRCA1

GSQDRKIFRG LEICCYGPFT NMPTDQLEWM VQLCGASVVK ELSSFTLGTG VHPIVVVQPD AWTEDNGFHA IGQMCEAPVV TREWVLDSVA LYQCQELDTY LIPQIPHSHY

Show sample condition

Sample #1

Temperature 296 (±0.1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	C-terminal BRCT domain from human BRCA1	[U-15N]		1.3 mM

Sample #2

Temperature 296 (±0.1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	C-terminal BRCT domain from human BRCA1	[U-13C; U-15N]		0.7 mM

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LACS Plot; CA

Referencing offset: -0.11 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.11 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: 0.02 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: -0.1 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 15 models in PDB: 1OQA, Strand ID: A Detail

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Release date

2005-02-27

Citation

1H, 13C and 15N resonance assignments of the C-terminal BRCT domain from human BRCA1
Gaiser, O.J., Oschkinat, H., Heinemann, U., Ball, L.J.
J. Biomol. NMR (2004), 30, 221-222, PubMed 15557806 , DOI 10.1023/B:JNMR.0000048850.24781.78 , Abstract

Related entities 1. BRCTc domain, : 1 : 29 : 12 entities Detail

Interaction partners 1. BRCTc domain, : 77 interactors Detail

Experiments performed 2 experiments Detail