Structure of PDB 3oab Chain A Binding Site BS01

Receptor Information

>3oab Chain A (length=279) Species: 34256 (Mentha x piperita)

MFDFDGYMLRKAKSVNKALEAAVQMKEPLKIHESMRYSLLAGGKRVRPML
CIAACELVGGDESTAMPAACAVEMIHTMSLMHDDLPCMDNDDLRRGKPTN
HMAFGESVAVLAGDALLSFAFEHVAAATKGAPPERIVRVLGELAVSIGSE
GLVAGQVVDVCSEGMAEVGLDHLEFIHHHKTAALLQGSVVLGAILGGGKE
EEVAKLRKFANCIGLLFQVVDDILDVTKKTTYPKLIGVEKSKEFADRLNR
EAQEQLLHFHPHRAAPLIALANYIAYRDN

Ligand information

• Ligand ID: DST
• InChI: InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
• InChIKey: ZWFWSISPSBLNGO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(=CCSP(=O)(O)OP(=O)(O)O)C
  OpenEye OEToolkits 2.0.7: CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C
  ACDLabs 12.01: OP(O)(=O)OP(O)(=O)SC\C=C(\C)C
  CACTVS 3.385: CC(C)=CCS[P](O)(=O)O[P](O)(O)=O
• Formula: C5 H12 O6 P2 S
• Name: DIMETHYLALLYL S-THIOLODIPHOSPHATE;
  DMASPP;
  DMAPP;
  DMADP;
  Dimethylallyl pyrophosphate;
  dimethylallyl diphosphate;
  isoprenyl pyrophosphate
• PDB chain: 3oab Chain A Residue 804

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3oab Enhanced specificity of mint geranyl pyrophosphate synthase by modifying the R-loop interactions
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D83 D89 R94 Q156 K180
• Binding residue (residue number reindexed from 1): D83 D89 R94 Q156 K180
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.5.1.1: dimethylallyltranstransferase.

Gene Ontology

Molecular Function

• GO:0004659 prenyltransferase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:3oab, PDBe:3oab, PDBj:3oab
• PDBsum: 3oab
• PubMed: 20965200
• UniProt: Q9SBR3