Structure of PDB 7vqa Chain B Binding Site BS02

Receptor Information
>7vqa Chain B (length=205) Species: 188937 (Methanosarcina acetivorans C2A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKFKRLPGHIAIIPDGNRRWALDRGLEKHEGYKHGIVPGLELYDICVKIG
IGEVTFFGFTQDNTKRPQIQRKAFVDACIKSVKELSKHDAELLVVGNTNS
DMFPKELLAYTKRTKFGKGKVRINFLVNYGWYWDLTYADSKKMIENIASA
EIPRIDLLIRWGGRRRLSGMLPVQTVYSDIYVVDEMWPDFKPEHLFNALE
FYQDQ
Ligand information
Ligand IDDMA
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCOP(=O)(O)OP(=O)(O)O)C
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/C)C)O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.341CC(C)=CCO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCO[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
NameDIMETHYLALLYL DIPHOSPHATE
ChEMBLCHEMBL343480
DrugBankDB01785
ZINCZINC000008215740
PDB chain7vqa Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vqa Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		P22 F65 N71 R179 S181
Binding residue
(residue number reindexed from 1)		P14 F57 N63 R166 S168
Annotation score4
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7vqa, PDBe:7vqa, PDBj:7vqa
PDBsum7vqa
PubMed35764165
UniProtQ8TPS4

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