Brand  (β version)

PDB ID: 4E00

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Ligands
Code Name Style Show Link
0F1 3,6-dichloro-1-benzothiophene-2-carboxylic acid PoSSuM
ADP Adenosine-5'-diphosphate PoSSuM
K Potassium ion PoSSuM
MG Magnesium ion PoSSuM
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Structure summary

Code : 4E00   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[B]thiophene-2-carboxylic acid complex with ADP
Release Data : 2013-03-27
Compound :
mol_id molecule chains synonym
1 [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial A Branched-chain alpha-ketoacid dehydrogenase kinase, BCKD-kinase, BCKDHKIN
ec: 2.7.11.4
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat Escherichia coli  (taxid:511693)
gene: Bckdk
expression_system_strain: BL21GroESL
expression_system_vector_type: plasmid
expression_system_plasmid: pTrckHisB
Authors : Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Keywords : GHKL protein kinase, Allosteric kinase inhibitor, Branched-chain alpha-ketoacid, Branched-chain amino acids, Maple syrup urine disease, Diabetes and obesity, Bergerat nucleotide-binding fold, Protein kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.15 Å )
Citation :

Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP

Tso, S.C.,Chuang, J.L.,Gui, W.J.  et al.
To be Published 

Reaction

Chain : A
UniProt : Q00972 (BCKD_RAT)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[3-methyl-2-oxobutanoate dehydrogenase] = ADP + H(+) + O-phospho-L-seryl-[3-methyl-2-oxobutanoate dehydrogenase] 2.7.11.4 PubMed:1377677, PubMed:7649998, PubMed:29779826
left-to-right PubMed:7649998, PubMed:1377677, PubMed:29779826
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:29779826
left-to-right