Structure of PDB 6oia Chain C Binding Site BS02

Receptor Information
>6oia Chain C (length=404) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSY
SAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHK
VLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAI
SSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGE
AGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRP
DIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIA
ALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKET
KDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKT
ILSF
Ligand information
Ligand IDMQ4
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)6(3-14)5-1-4(8(15)16)2-7(5)13/h3-4,6H,1-2,13H2,(H,15,16)/t4-,6+/m0/s1
InChIKeyFRXHJQNUUVTCON-UJURSFKZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC1=C(C[CH](C1)C(O)=O)[CH](C=O)C(F)(F)F
CACTVS 3.385NC1=C(C[C@@H](C1)C(O)=O)[C@@H](C=O)C(F)(F)F
ACDLabs 12.01C(C(C=O)C=1CC(CC=1N)C(=O)O)(F)(F)F
OpenEye OEToolkits 2.0.7C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O
OpenEye OEToolkits 2.0.7C1C(CC(=C1C(C=O)C(F)(F)F)N)C(=O)O
FormulaC9 H10 F3 N O3
Name(1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain6oia Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oia Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
Resolution1.777 Å
Binding residue
(original residue number in PDB)		Y55 Y85 F177 E235 Q266 K292 R413
Binding residue
(residue number reindexed from 1)		Y20 Y50 F142 E200 Q231 K257 R378
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) F142 E195 D228 Q231 K257 T287 R378
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:6oia, PDBe:6oia, PDBj:6oia
PDBsum6oia
PubMed31251613
UniProtP04181|OAT_HUMAN Ornithine aminotransferase, mitochondrial (Gene Name=OAT)

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