Structure of PDB 5vxi Chain A Binding Site BS01

Receptor Information

>5vxi Chain A (length=334) Species: 190485 (Xanthomonas campestris pv. campestris str. ATCC 33913)

LVPRGSHMLFQNVSIAGLAHIDAPHTLTSKEINERLQPTYDRLGIKTDVL
GDVAGIHARRLWDQDVQASDAATQAARKALIDANIGIEKIGLLINTSVSR
DYLDPSTASIVSGNLGVSDHCMTFDVANACLAFINGMDIAARMLERGEID
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: 5vxi Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5vxi OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
• Resolution: 2.08 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:5vxi, PDBe:5vxi, PDBj:5vxi
• PDBsum: 5vxi
• PubMed: 29025976
• UniProt: Q8PDX2|OLEA_XANCP Acyl-CoA:acyl-CoA alkyltransferase (Gene Name=oleA)