Structure of PDB 5tu4 Chain A Binding Site BS01

Receptor Information

>5tu4 Chain A (length=297) Species: 443922 (Planktothrix agardhii NIES-596)

MIVNVIQKDRLKEQKLQFIRNHQQAFDVEPIYPLPLFEDFVTSIEGDCSL
EASCKIESDKLIASRFLLFFEDKTQEWQKYLHQSLTFFGLVENRVGVKIN
YSLLQQFLGSSFDFSKVTVLSAGIDLRNNLAESSLKMHIRIKDYPEKLDK
AFALSDGAADGNYLKDFVNLIGFDFYFNGKSEIEIYAEVQEDDFFKPEIN
NLVWQHFPKTALQPLKASSLFFTGLSKANNNPVLYYHLKNRQDLTNYFKL
NDTAQRVHSFYQHQDILPYMWVGTAQKELEKTRIENIRLYYYKSFKM

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: 5tu4 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5tu4 Molecular basis for the broad substrate selectivity of a peptide prenyltransferase.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): R65 K136 H138 F222 Y235 W271 R288 Y290
• Binding residue (residue number reindexed from 1): R65 K136 H138 F222 Y235 W271 R288 Y290
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:5tu4, PDBe:5tu4, PDBj:5tu4
• PDBsum: 5tu4
• PubMed: 27872314
• UniProt: F5B6Z0