Structure of PDB 2cog Chain A Binding Site BS02

Receptor Information
>2cog Chain A (length=358) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGTFKAKDLIVTPATILKEKPDPNLVFGTVFTDHMLTVEWSSEFGWEKPH
IKPLQNLSLHPGSSALHYAVELFEGLKAFRGVDNKIRLFQPNLNMDRMYR
SAVRATLPVFDKEELLECIQQLVKLDQEWVPYSTSASLYIRPTFIGTEPS
LGVKKPTKALLFVLLSPVGPYFNPVSLWANPKYVRAWKGGTGDCKMGGNY
GSSLFAQCEAVDNGCQQVLWLYGEDHQITEVGTMNLFLYWINEDGEEELA
TPPLDGIILPGVTRRCILDLAHQWGEFKVSERYLTMDDLTTALEGNRVRE
MFGSGTACVVCPVSDILYKGETIHIPTMENGPKLASRILSKLTDIQYGRE
ERDWTIVL
Ligand information
Ligand ID4MV
InChIInChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyFGKJLKRYENPLQH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC(C)C
CACTVS 3.341CC(C)CCC(O)=O
OpenEye OEToolkits 1.5.0CC(C)CCC(=O)O
FormulaC6 H12 O2
Name4-METHYL VALERIC ACID
ChEMBLCHEMBL1230308
DrugBankDB03993
ZINCZINC000000391113
PDB chain2cog Chain A Residue 420 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cog Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y193 T260 T333 A334
Binding residue
(residue number reindexed from 1)		Y171 T233 T306 A307
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K222
Catalytic site (residue number reindexed from 1) K195
Enzyme Commision number 2.6.1.42: branched-chain-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004084 branched-chain-amino-acid transaminase activity
GO:0008483 transaminase activity
GO:0052654 L-leucine-2-oxoglutarate transaminase activity
GO:0052655 L-valine-2-oxoglutarate transaminase activity
GO:0052656 L-isoleucine-2-oxoglutarate transaminase activity
Biological Process
GO:0000082 G1/S transition of mitotic cell cycle
GO:0006629 lipid metabolic process
GO:0008652 amino acid biosynthetic process
GO:0009081 branched-chain amino acid metabolic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009098 L-leucine biosynthetic process
GO:0009099 L-valine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2cog, PDBe:2cog, PDBj:2cog
PDBsum2cog
PubMed16141215
UniProtP54687|BCAT1_HUMAN Branched-chain-amino-acid aminotransferase, cytosolic (Gene Name=BCAT1)

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