Structure of PDB 3hyk Chain A Binding Site BS01

Receptor Information

>3hyk Chain A (length=117) Species: 1392 (Bacillus anthracis)

NAMIVGIGIDIIELNRIEKMLDKFMERILTENERNVAKGLKGSRLTEFVA
GRFAAKEAYSKAVGTGIGKEVSFLDIEVRNDDRGKPILITSTEHIVHLSI
SHSKEFAVAQVVLESSS

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3hyk Chain A Residue 121

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hyk Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): D8 E58
• Binding residue (residue number reindexed from 1): D10 E57
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K62 H103
• Catalytic site (residue number reindexed from 1): K61 H102
• 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:3hyk, PDBe:3hyk, PDBj:3hyk
• PDBsum: 3hyk
• PubMed: 22993090
• UniProt: Q81JG3|ACPS_BACAN Holo-[acyl-carrier-protein] synthase (Gene Name=acpS)