Structure of PDB 8a7u Chain A Binding Site BS03

Receptor Information
>8a7u Chain A (length=338) Species: 80249 (Phaedon cochleariae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSKEESREFMAIFPDIVRDLTDAGRHTDIPEVTKRFAKVLQYNVPTGKKT
RGLSTVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDRS
ETRRGQPCWYRQENVGFLAINDCLHVESSLYSVLRKYFSHLPCYVPIIEL
FHDVNFKTNMGQSLDALCMKDGRPILSQFTMKRYSSIVKYKTSYYTFQLP
VSLGMYLADMYDPEQHRQAKTILMEIGEFDQIQDDFLDAFGDSKVGTDIK
EGKCSWLAVVALQRSNPAQRQIMEEHYGRPEPESTQIIKNLYIELGLPAT
FAVYEEESFNIIRTHIHQISKGLPHDLFFKIMKKIYKR
Ligand information
Ligand IDGPP
InChIInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
InChIKeyGVVPGTZRZFNKDS-JXMROGBWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O)(O)O
FormulaC10 H20 O7 P2
NameGERANYL DIPHOSPHATE
ChEMBLCHEMBL41342
DrugBankDB02552
ZINCZINC000008215849
PDB chain8a7u Chain A 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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PDB8a7u Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		L175 M178 D179 R188 N244 Q247 K276 Y280 K342
Binding residue
(residue number reindexed from 1)		L90 M93 D94 R103 N159 Q162 K191 Y195 K253
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
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Biological Process
External links
PDB RCSB:8a7u, PDBe:8a7u, PDBj:8a7u
PDBsum8a7u
PubMed37308711
UniProtM1JS91

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