BMRB: 5078

Structure and Backbone Dynamics of a Lipoyl Domain from Human Mitochondrial Branched-Chain alpha-Ketoacid Dehydrogenase

Authors

Chang, C., Chou, H., Chuang, J.L., Chuang, D.T., Huang, T.

Assembly

Lipoyl acid-bearing domain of human BCKD complex

Entity

1. Lipoyl acid-bearing domain of human BCKD complex (polymer, Thiol state: all free), 93 monomers, 10646.81 Da Detail

MGQVVQFKLS DIGEGIREVT VKEWYVKEGD TVSQFDSICE VQSDKASVTI TSRYDGVIKK LYYNLDDIAY VGKPLVDIET EALKDLEHHH HHH

Formula weight

10646.81 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

distance geometry simulated annealing molecular dynamics torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.5 %, Completeness: 82.8 %, Completeness (bb): 89.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	82.8 % (900 of 1087)	81.6 % (456 of 559)	82.8 % (356 of 430)	89.8 % (88 of 98)
Backbone	89.9 % (500 of 556)	89.5 % (171 of 191)	90.5 % (247 of 273)	89.1 % (82 of 92)
Sidechain	77.7 % (480 of 618)	77.4 % (285 of 368)	77.5 % (189 of 244)	100.0 % (6 of 6)
Aromatic	29.2 % (28 of 96)	39.6 % (19 of 48)	17.0 % (8 of 47)	100.0 % (1 of 1)
Methyl	96.4 % (108 of 112)	98.2 % (55 of 56)	94.6 % (53 of 56)

1. Lipoyl acide bearing domain

MGQVVQFKLS DIGEGIREVT VKEWYVKEGD TVSQFDSICE VQSDKASVTI TSRYDGVIKK LYYNLDDIAY VGKPLVDIET EALKDLEHHH HHH

Show sample condition

Sample

Temperature 310 (±1) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Lipoyl acide bearing domain	[U-13C; U-15N]		2.0 ~ 3.0 mM

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LACS Plot; CA

Referencing offset: 0.8 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
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: 0.8 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
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: 0.0 ppm, Outliers: 3 Detail

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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: 0.64 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 20 models in PDB: 1K8O, Strand ID: A Detail

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Release date

2004-02-18

Citation

Solution structure and dynamics of the lipoic acid-bearing domain of human mitochondrial branched-chain alpha-keto acid dehydrogenase complex
Chang, C., Chou, H., Chuang, J.L., Chuang, D.T., Huang, T.
J. Biol. Chem. (2002), 277, 15865-15873, PubMed 11839747 , DOI 10.1074/jbc.M110952200 , Abstract

Related entities 1. Lipoyl acid-bearing domain of human BCKD complex, : 1 : 1 : 91 entities Detail

Interaction partners 1. Lipoyl acid-bearing domain of human BCKD complex, : 25 interactors Detail

Experiments performed 8 experiments Detail