Structure of PDB 8qeu Chain B Binding Site BS01

Receptor Information
>8qeu Chain B (length=304) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKDFLAIDDFDTATIKTILDKASEVKALLKSGERNYLPFKGKSMSMIFAK
PSMRTRVSFETGFFLLGGHALYLGPNDIQMGKREETRDVARVLSRYNDII
MARVFAHQDILDLANYSSVPVVNGLTDHNHPCQIMADALTMIEHIGQVEG
TKVVYVGDGNNMVHSWLELASVIPFHFVCACPKGYEPDKERVSKAKQAGL
SKIEITNDPKEAVIGADVVYSDVWASMGQKDEAEARRKAFQGFQVDEALM
KLAGQKAYFMHCLPAERGVEVTNGVVEAPYSIVFPQAENRMHAQNAIMLH
LLGF
Ligand information
Ligand IDORN
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyAHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C[C@@H](C(=O)O)N)CN
CACTVS 3.370NCCC[CH](N)C(O)=O
CACTVS 3.370NCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCN
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CN
FormulaC5 H12 N2 O2
NameL-ornithine
ChEMBLCHEMBL446143
DrugBankDB00129
ZINCZINC000001532530
PDB chain8qeu Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qeu Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N232 D293 L334
Binding residue
(residue number reindexed from 1)		N161 D222 L263
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.3.3: ornithine carbamoyltransferase.
Gene Ontology
Molecular Function
GO:0004585 ornithine carbamoyltransferase activity
GO:0016597 amino acid binding
GO:0016743 carboxyl- or carbamoyltransferase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006591 ornithine metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8qeu, PDBe:8qeu, PDBj:8qeu
PDBsum8qeu
PubMed38179474
UniProtO50039|OTC_ARATH Ornithine transcarbamylase, chloroplastic (Gene Name=OTC)

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