Structure of PDB 8f5s Chain A

Receptor sequence
>8f5sA (length=322) Species: 9606 (Homo sapiens) [Search protein sequence]
QSAIDAAAEKPSVRLTPTMMLYAGRGSHLLKSARYLQQELPVRIAHRIKG
FRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQL
LDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHL
ALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHV
AARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVD
LIIRISDRGGGIAHKDLDRVMDYHFTTAPMHGFGFGLPTSRAYAEYLGGS
LQLQSLQGIGTDVYLRLRHIDG
3D structure
PDB8f5s Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
ChainA
Resolution2.793 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
2.7.11.4: [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ADP A N249 A253 G289 I290 V298 T304 T305 H334 G337 G339 L340 N221 A225 G261 I262 V270 T276 T277 H281 G284 G286 L287
BS02 XGT A L129 V136 R167 R171 Y241 Y346 L101 V108 R139 R143 Y213 Y293
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004722 protein serine/threonine phosphatase activity
GO:0004740 pyruvate dehydrogenase (acetyl-transferring) kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0047323 [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0008610 lipid biosynthetic process
GO:0009063 amino acid catabolic process
GO:0009083 branched-chain amino acid catabolic process
GO:0010906 regulation of glucose metabolic process
GO:0016310 phosphorylation
GO:0045763 negative regulation of cellular amino acid metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0045252 oxoglutarate dehydrogenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8f5s, PDBe:8f5s, PDBj:8f5s
PDBsum8f5s
PubMed37558654
UniProtO14874|BCKD_HUMAN Branched-chain alpha-ketoacid dehydrogenase kinase (Gene Name=BCKDK)

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