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Ligands
Code Name Style Show Link
03H (2s)-2-chloro-4-methylpentanoic acid
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Code : 3TZ0   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex
Release Data : 2012-10-03
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:562)
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 ( 2.500 Å )
Citation :

Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.

Tso, S.C.,Qi, X.,Gui, W.J.  et al.
(2013)  Proc.Natl.Acad.Sci.USA  110 : 9728 - 9733

PubMed: 23716694
DOI: 10.1073/pnas.1303220110

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