Structure of PDB 7vq9 Chain A Binding Site BS01

Receptor Information
>7vq9 Chain A (length=206) Species: 188937 (Methanosarcina acetivorans C2A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPKFKRLPGHIAIIPDGNRRWALDRGLEKHEGYKHGIVPGLELYDICVKI
GIGEVTFFGFTQDNTKRPQIQRKAFVDACIKSVKELSKHDAELLVVGNTN
SDMFPKELLAYTKRTKFGKGKVRINFLVNYGWYWDLTYADSKKMIENIAS
AEIPRIDLLIRWGGRRRLSGMLPVQTVYSDIYVVDEMWPDFKPEHLFNAL
EFYQDQ
Ligand information
Ligand IDISY
InChIInChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChIKeyYLTQZUVQWVAPNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=C)CCSP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O
ACDLabs 12.01O=P(O)(OP(=O)(O)SCCC(=C)\C)O
CACTVS 3.370CC(=C)CCS[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O6 P2 S
Name3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid;
Isopentyl S-Thiolodiphosphate
ChEMBLCHEMBL448120
DrugBank
ZINC
PDB chain7vq9 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7vq9 Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		D23 F65 G66 N71 R74 R173 R179 S181
Binding residue
(residue number reindexed from 1)		D16 F58 G59 N64 R67 R161 R167 S169
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0045547 dehydrodolichyl diphosphate synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0016094 polyprenol biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7vq9, PDBe:7vq9, PDBj:7vq9
PDBsum7vq9
PubMed35764165
UniProtQ8TPS4

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