Structure of PDB 2eiy Chain B Binding Site BS02

Receptor Information
>2eiy Chain B (length=304) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKAGLIWMNGAFVPQEEAKTSVLSHALHYGTSVFEGIRAYETAKGPAIFR
LKEHVKRFYNSAKVLRMEIPFAPEELEEAIKEVVRRNGYRSCYIRPLAWM
GAKALGVNPLPNNPAEVMVAAWEWGAYLGEEAVRKGARLITSSWARFPAN
VMPGKAKVGGNYVNSALAKMEAVAAGADEALLLDEEGYVAEGSGENLFFV
RDGVIYALEHSVNLEGITRDSVIRIAKDLGYEVQVVRATRDQLYMADEVF
MTGTAAEVTPVSMIDWRPIGKGTAGPVALRLREVYLEAVTGRRPEYEGWL
TYVN
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 chain2eiy Chain B Residue 914 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eiy Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with 4-Methylvaleric Acid
Resolution1.35 Å
Binding residue
(original residue number in PDB)		Y95 T256 A257
Binding residue
(residue number reindexed from 1)		Y93 T254 A255
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F36 G38 K159 E193 L216
Catalytic site (residue number reindexed from 1) F34 G36 K157 E191 L214
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:0008652 amino acid biosynthetic process
GO:0009081 branched-chain amino acid metabolic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009098 L-leucine biosynthetic process
GO:0009099 L-valine biosynthetic process
GO:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2eiy, PDBe:2eiy, PDBj:2eiy
PDBsum2eiy
PubMed
UniProtQ5SM19

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