BMRB: 11240

Solution structure of the e3_binding domain of dihydrolipoamide branched chaintransacylase

Authors

Zhang, H., Hayashi, F., Yokoyama, S.

Assembly

Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial

Entity

1. Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial (polymer, Thiol state: not present), 70 monomers, 7303.189 Da Detail

GSSGSSGHQE IKGRKTLATP AVRRLAMENN IKLSEVVGSG KDGRILKEDI LNYLEKQTGA ILPPSGPSSG

Formula weight

7303.189 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 90.7 %, Completeness (bb): 87.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.7 % (699 of 771)	88.4 % (359 of 406)	94.2 % (277 of 294)	88.7 % (63 of 71)
Backbone	87.4 % (360 of 412)	81.5 % (119 of 146)	91.5 % (183 of 200)	87.9 % (58 of 66)
Sidechain	94.5 % (396 of 419)	92.3 % (240 of 260)	98.1 % (151 of 154)	100.0 % (5 of 5)
Aromatic	100.0 % (12 of 12)	100.0 % (6 of 6)	100.0 % (6 of 6)
Methyl	98.6 % (73 of 74)	97.3 % (36 of 37)	100.0 % (37 of 37)

1. e3 binding domain

GSSGSSGHQE IKGRKTLATP AVRRLAMENN IKLSEVVGSG KDGRILKEDI LNYLEKQTGA ILPPSGPSSG

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 1.11mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3

#	Name	Isotope labeling	Type	Concentration
1	e3_binding domain	[U-13C; U-15N]	protein	1.11 mM
2	d-Tris-HCl	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.03 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
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.31 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	null	indirect	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: 2COO, Strand ID: A Detail

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Release date

2011-08-02

Citation

Structural and thermodynamic basis for weak interactions between dihydrolipoamide dehydrogenase and subunit-binding domain of the branched-chain alpha-ketoacid dehydrogenase complex
Zhang, H., Hayashi, F., Yokoyama, S.
J. Biol. Chem. (2011), 286, 23476-23488, PubMed 21543315 , DOI 10.1074/jbc.M110.202960 , Abstract

Related entities 1. Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial, : 1 : 2 : 11 entities Detail

Interaction partners 1. Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial, : 25 interactors Detail

Experiments performed 2 experiments Detail