Structure of PDB 8a6z Chain B Binding Site BS04

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 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 K333
Binding residue
(residue number reindexed from 1)		D95 R104 K192 K249
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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