Structure of PDB 6v8d Chain A Binding Site BS02

Receptor Information
>6v8d Chain A (length=402) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSA
VNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVL
PMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISS
STDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAG
VVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDI
VLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAAL
EVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKD
WDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTIL
SF
Ligand information
Ligand IDO78
InChIInChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6-
InChIKeyQYQCRKOROWCYTP-VURMDHGXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C\1/CCCC(=C1)C(=O)O
OpenEye OEToolkits 2.0.7C1CC(=CC(=N)C1)C(=O)O
CACTVS 3.385OC(=O)C1=CC(=N)CCC1
ACDLabs 12.01C1C\C(=N)C=C(C1)C(=O)O
FormulaC7 H9 N O2
Name(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain6v8d Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6v8d Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y85 K292
Binding residue
(residue number reindexed from 1)		Y48 K255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F177 E230 D263 Q266 K292 T322 R413
Catalytic site (residue number reindexed from 1) F140 E193 D226 Q229 K255 T285 R376
Enzyme Commision number 2.6.1.13: ornithine aminotransferase.
Gene Ontology
Molecular Function
GO:0004587 ornithine aminotransferase activity
GO:0005515 protein binding
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
Biological Process
GO:0007601 visual perception
GO:0010121 arginine catabolic process to proline via ornithine
GO:0019544 arginine catabolic process to glutamate
GO:0055129 L-proline biosynthetic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6v8d, PDBe:6v8d, PDBj:6v8d
PDBsum6v8d
PubMed
UniProtP04181|OAT_HUMAN Ornithine aminotransferase, mitochondrial (Gene Name=OAT)

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