Structure of PDB 7ta0 Chain A Binding Site BS01

Receptor Information
>7ta0 Chain A (length=403) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYS
AVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKV
LPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAIS
SSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEA
GVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPD
IVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAA
LEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETK
DWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTI
LSF
Ligand information
Ligand IDI3B
InChIInChI=1S/C13H21N2O7P/c1-9-13(18)11(7-14-5-3-2-4-12(16)17)10(6-15-9)8-22-23(19,20)21/h6,14,18H,2-5,7-8H2,1H3,(H,16,17)(H2,19,20,21)
InChIKeyJXMZQLZPXCDFBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Oc1c(CNCCCCC(=O)O)c(cnc1C)COP(=O)(O)O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCC(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CNCCCCC(O)=O)c1O
FormulaC13 H21 N2 O7 P
Name5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
ChEMBL
DrugBank
ZINC
PDB chain7ta0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ta0 Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		Y55 Y85 G142 V143 F177 W178 D263 I265 Q266 K292
Binding residue
(residue number reindexed from 1)		Y19 Y49 G106 V107 F141 W142 D227 I229 Q230 K256
Annotation score1
Enzymatic activity
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ta0, PDBe:7ta0, PDBj:7ta0
PDBsum7ta0
PubMed35460691
UniProtP04181|OAT_HUMAN Ornithine aminotransferase, mitochondrial (Gene Name=OAT)

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