Structure of PDB 3qmn Chain S Binding Site BS02

Receptor Information

>3qmn Chain S (length=125) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961)

MIVGLGTDIAEIERVEKALARSGENFARRILTDSELEQFHASKQQGRFLA
KRFAAKEAASKALGTGIAQGVTFHDFTISHDKLGKPLLILSGQAAELASQ
LQVENIHLSISDERHYAMATVILER

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3qmn Chain S Residue 2539

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qmn Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): D8 E57
• Binding residue (residue number reindexed from 1): D8 E57
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K61 D112
• Catalytic site (residue number reindexed from 1): K61 D112
• Enzyme Commision number: 2.7.8.7: holo-[acyl-carrier-protein] synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008897 holo-[acyl-carrier-protein] synthase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006633 fatty acid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3qmn, PDBe:3qmn, PDBj:3qmn
• PDBsum: 3qmn
• PubMed: 22993090
• UniProt: Q9KPB6|ACPS_VIBCH Holo-[acyl-carrier-protein] synthase (Gene Name=acpS)