Structure of PDB 8a6z Chain B Binding Site BS03

Receptor Information
>8a6z Chain B (length=345) Species: 80249 (Phaedon cochleariae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFSKEESREFMAIFPDIVRDLTDAGRHTDIPEVTKRFAKVLQYNVPTGKK
TRGLSTVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDR
SETRRGQPCWYRQENVGFLAINDCLHVESSLYSVLRKYFSHLPCYVPIIE
LFHDVNFKTNMGQSLDALCMKDGRPILSQFTMKRYSSIVKYKTSYYTFQL
PVSLGMYLADMYDPEQHRQAKTILMEIGEFFQIQDDFLDAFGDSQVTGKV
GTDIKEGKCSWLAVVALQRSNPAQRQIMEEHYGRPEPESTQIIKNLYIEL
GLPATFAVYEEESFNIIRTHIHQISKGLPHDLFFKIMKKIYKRDA
Ligand information
Ligand IDIPE
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChIKeyNUHSROFQTUXZQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=C)CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=C)CCOP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)O)(OCC\C(=C)C)O
OpenEye OEToolkits 1.5.0CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
Name3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE;
ISOPENTENYL PYROPHOSPHATE
ChEMBLCHEMBL356362
DrugBankDB04714
ZINCZINC000008215654
PDB chain8a6z Chain B Residue 505 [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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PDB8a6z Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K133 R136 Q172 R189 D319
Binding residue
(residue number reindexed from 1)		K49 R52 Q88 R105 D235
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.1: dimethylallyltranstransferase.
Gene Ontology
Molecular Function
GO:0004659 prenyltransferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0008299 isoprenoid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8a6z, PDBe:8a6z, PDBj:8a6z
PDBsum8a6z
PubMed37308711
UniProtM1JS91

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