Structure of PDB 8v3k Chain A Binding Site BS02

Receptor Information
>8v3k Chain A (length=340) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVPPSLRLPVIEAAFPRQLHPYWPKLQETTRTWLLEKRLMPADKVEEYAD
GLCYTDLMAGYYLGAPDEVLQAIADYSAWSFVWDDRHDRDIVHGRAGAWR
RLRGLLHTALDSPGDHLHHEDTLVAGFADSVRRLYAFLPATWNARFARHF
HTVIEAYDREFHNRTRGIVPGVEEYLELRRLTSAHWIWTDLLEPSSGCEL
PDAVRKHPAYRRAALLSQEFAAWYNDLCSLPKEIAGDEVHNLGISLITHH
SLTLEEAIGEVRRRVEECITEFLAVERDALRFADELADGTVRGKELSGAV
RANVGNMRNWFSSVYWFHHESGRYMVDSWDDRSTPPYVNN
Ligand information
Ligand IDDPO
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-J
SMILES
SoftwareSMILES
CACTVS 3.370[O-][P]([O-])(=O)O[P]([O-])([O-])=O
OpenEye OEToolkits 1.7.2[O-]P(=O)([O-])OP(=O)([O-])[O-]
ACDLabs 12.01[O-]P([O-])(=O)OP([O-])([O-])=O
FormulaO7 P2
NameDIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain8v3k Chain A Residue 405 [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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PDB8v3k Structure-Based Engineering of a Terpene Cyclase to Generate a Sesquiterpene Alcohol: Conversion of epi-Isozizaene Synthase into an a-Bisabolol Synthase
Resolution1.47 Å
Binding residue
(original residue number in PDB)		D99 R194 N240 S244 K247 E248 R338 Y339
Binding residue
(residue number reindexed from 1)		D84 R179 N225 S229 K232 E233 R323 Y324
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.3.37: epi-isozizaene synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0052680 epi-isozizaene synthase activity

View graph for
Molecular Function
External links
PDB RCSB:8v3k, PDBe:8v3k, PDBj:8v3k
PDBsum8v3k
PubMed38420671
UniProtQ9K499|CYC1_STRCO Epi-isozizaene synthase (Gene Name=cyc1)

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