Structure of PDB 1zdw Chain A Binding Site BS02

Receptor Information

>1zdw Chain A (length=301) Species: 93372 (Streptomyces sp. CL190)

EAADVERVYAAMEEAAGLLGVACARDKIYPLLSTFQDTLVEGGSVVVFSM
ASGRHSTELDFSISVPTSHGDPYATVVEKGLFPATGHPVDDLLADTQKHL
PVSMFAIDGEVTGGFKKTYAFFPTDNMPGVAELSAIPSMPPAVAENAELF
ARYGLDKVQMTSMDYKKRQVNLYFSELSAQTLEAESVLALVRELGLHVPN
ELGLKFCKRSFSVYPTLNWETGKIDRLCFAVISNDPTLVPSSDEGDIEKF
HNYATKAPYAYVGEKRTLVYGLTLSPKEEYYKLGAYYHITDVQRGLLKAF
D

Ligand information

• Ligand ID: GST
• InChI: InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
• InChIKey: AKIXWSDUEPPMKM-JXMROGBWSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C
  CACTVS 3.341: CC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C
  CACTVS 3.341: CC(C)=CCCC(/C)=C/CS[P@@](O)(=O)O[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)C)C
• Formula: C10 H20 O6 P2 S
• Name: GERANYL S-THIOLODIPHOSPHATE;
  S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE
• DrugBank: DB04702
• PDB chain: 1zdw Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1zdw Structural basis for the promiscuous biosynthetic prenylation of aromatic natural products.
• Resolution: 2.02 Å
• Binding residue (original residue number in PDB): S64 Y121 F123 N173 Y175 Y216 R228
• Binding residue (residue number reindexed from 1): S62 Y119 F121 N171 Y173 Y214 R226
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:1zdw, PDBe:1zdw, PDBj:1zdw
• PDBsum: 1zdw
• PubMed: 15959519
• UniProt: Q4R2T2