Structure of PDB 7tfp Chain C Binding Site BS02

Receptor Information
>7tfp Chain C (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 IDI2V
InChIInChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1
InChIKeyZROKQRHEXPQFAI-JKUQZMGJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O
ACDLabs 12.01FCC1CC(CC1N)C(=O)O
CACTVS 3.385N[CH]1C[CH](C[CH]1CF)C(O)=O
OpenEye OEToolkits 2.0.7C1C(CC(C1CF)N)C(=O)O
CACTVS 3.385N[C@H]1C[C@H](C[C@@H]1CF)C(O)=O
FormulaC7 H12 F N O2
Name(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7tfp Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7tfp Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
Resolution2.71 Å
Binding residue
(original residue number in PDB)		Y55 Y85 F177 E235 K292 R413
Binding residue
(residue number reindexed from 1)		Y18 Y48 F140 E198 K255 R376
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
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Cellular Component
External links
PDB RCSB:7tfp, PDBe:7tfp, PDBj:7tfp
PDBsum7tfp
PubMed35293728
UniProtP04181|OAT_HUMAN Ornithine aminotransferase, mitochondrial (Gene Name=OAT)

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