Structure of PDB 8a6z Chain C Binding Site BS04

Receptor Information
>8a6z Chain C (length=340) Species: 80249 (Phaedon cochleariae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSFSKEESREFMAIFPDIVRDLTDHTDIPEVTKRFAKVLQYNVPTGKKTR
GLSTVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDRSE
TRRGQPCWYRQENVGFLAINDCLHVESSLYSVLRKYFSHLPCYVPIIELF
HDVNFKTNMGQSLDALCMKDGRPILSQFTMKRYSSIVKYKTSYYTFQLPV
SLGMYLADMYDPEQHRQAKTILMEIGEFFQIQDDFLDAFGDSQVTGKVGT
DIKEGKCSWLAVVALQRSNPAQRQIMEEHYGRPEPESTQIIKNLYIELGL
PATFAVYEEESFNIIRTHIHQGLPHDLFFKIMKKIYKRDA
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 C Residue 506 [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)		D179 R188 K276 D319 K333
Binding residue
(residue number reindexed from 1)		D93 R102 K190 D233 K247
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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