Structure of PDB 7w8w Chain A Binding Site BS01

Receptor Information

>7w8w Chain A (length=346) Species: 659352 (Streptomyces sp. SN-593)

GSHLEPTQLGGLVTDQLARLCDVARLDRTDTETYVQTLATSLGTAAERSL
ALPPTTATLLSDDHTPVEYSLAFLPGATPALRVLVEPGWDSGDLAENGRA
GLRAIRAMADRWNFSTDQLDLLEDLFFPVAPAGPFALWCALELRPGGVPG
VKVYLNPAARGRDRRAETLREALDRLGHRQAFAALPPADDYPFLALDLGE
WAAPRVKVYCTHESLSAQEAGEYSRGRDQTTDFFHAVAGTPSTRRALTCH
SFTDTVTGRPSGFTLHMPVRSYVEHDGRARDRAADVLRRYGMDNDALDRA
LAAVTPRPLDDGVGLVAYVALVHQLGRDPRVTVYVSSEAYAVQPPR

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: 7w8w Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7w8w Crystal structures of a 6-dimethylallyltryptophan synthase, IptA: Insights into substrate tolerance and enhancement of prenyltransferase activity.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): R98 W154 K168 Y170 K223 Y225 H294 R358 Y362
• Binding residue (residue number reindexed from 1): R82 W138 K152 Y154 K207 Y209 H266 R330 Y334
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0009820 alkaloid metabolic process

External links

• PDB: RCSB:7w8w, PDBe:7w8w, PDBj:7w8w
• PDBsum: 7w8w
• PubMed: 35074664
• UniProt: D6RT90