Structure of PDB 8qev Chain B Binding Site BS01

Receptor Information

>8qev Chain B (length=298) Species: 3702 (Arabidopsis thaliana)

LKDFLAIDDFDTATIKTILDKASEVKALLKSGERNYLPFKGKSMSMIFAK
PSMRTRVSFETGFFLLGGHALYLGPNDIQMGKREETRDVARVLSRYNDII
MARVFAHQDILDLANYSSVPVVNGLTDHNHPCQIMADALTMIEHIGQVEG
TKVVYVGDGNNMVHSWLELASVIPFHFVCACPKGYEPDKERVSKAKQAGL
SKIEITNDPKEAVIGADVVYSDVWAEAEARRKAFQGFQVDEALMKLAGQK
AYFMHCLPAERGVEVTNGVVEAPYSIVFPQAENRMHAQNAIMLHLLGF

Ligand information

• Ligand ID: CP
• InChI: InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
• InChIKey: FFQKYPRQEYGKAF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: NC(=O)O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: C(=O)(N)OP(=O)(O)O
• Formula: C H4 N O5 P
• Name: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
• ChEMBL: CHEMBL369105
• ZINC: ZINC000008383183
• PDB chain: 8qev Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qev Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): S123 M124 R125 T126 R174 C333 R361
• Binding residue (residue number reindexed from 1): S52 M53 R54 T55 R103 C256 R284
• Annotation score: 2

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

External links

• PDB: RCSB:8qev, PDBe:8qev, PDBj:8qev
• PDBsum: 8qev
• PubMed: 38179474
• UniProt: O50039|OTC_ARATH Ornithine transcarbamylase, chloroplastic (Gene Name=OTC)