Structure of PDB 3s21 Chain A Binding Site BS01

Receptor Information

>3s21 Chain A (length=334) Species: 340 (Xanthomonas campestris pv. campestris)

LVPRGSHMLFQNVSIAGLAHIDAPHTLTSKEINERLQPTYDRLGIKTDVL
GDVAGIHARRLWDQDVQASDAATQAARKALIDANIGIEKIGLLINTSVSR
DYLEPSTASIVSGNLGVSDHCMTFDVANACLAFINGMDIAARMLERGEID
YALVVDGETANLVYEKTLERMTSPDVTEEEFRNELAALTLGCGAAAMVMA
RSELVPDAPRYKGGVTRSATEWNKLTRLLLIEGIKLAQKTFVAAKQVLGW
AVEELDQFVIHQVSRPHTAAFVKSFGIDPAKVMTIFGEHGNIGPASVPIV
LSKLKELGRLKKGDRIALLGIGSGLNCSMAEVVW

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3s21 Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3s21 Crystal Structures of Xanthomonas campestris OleA Reveal Features That Promote Head-to-Head Condensation of Two Long-Chain Fatty Acids.
• Resolution: 1.7001 Å
• Binding residue (original residue number in PDB): H38 D76
• Binding residue (residue number reindexed from 1): H25 D63
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.3.20: acyl-CoA:acyl-CoA alkyltransferase.

Gene Ontology

Molecular Function

• GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
• GO:0016746 acyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006633 fatty acid biosynthetic process
• GO:0044550 secondary metabolite biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3s21, PDBe:3s21, PDBj:3s21
• PDBsum: 3s21
• PubMed: 22524624
• UniProt: Q8PDX2|OLEA_XANCP Acyl-CoA:acyl-CoA alkyltransferase (Gene Name=oleA)