Structure of PDB 8a7r Chain A Binding Site BS03

Receptor Information
>8a7r Chain A (length=336) Species: 80249 (Phaedon cochleariae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKEESREFMAIFPDIVRDLTDAGRHTDIPEVTKRFAKVLQYNVPTGKKTR
GLSTVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDRSE
TRRGQPCWYRQENVGFLAINDCLHVESSLYSVLRKYFSHLPCYVPIIELF
HDVNFKTNMGQSLDALCMKDGRPILSQFTMKRYSSIVKYKTSYYTFQLPV
SLGMYLADMYDPEQHRQAKTILMEIGEFFQIQDDFLDAFGDSVGTDIKEG
KCSWLAVVALQRSNPAQRQIMEEHYGRPEPESTQIIKNLYIELGLPATFA
VYEEESFNIIRTHIHQISKGLPHDLFFKAMKKIYKR
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 chain8a7r Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8a7r Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L175 M178 D179 R188 N244 Q247 K276 Y280 K342
Binding residue
(residue number reindexed from 1)		L89 M92 D93 R102 N158 Q161 K190 Y194 K251
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:8a7r, PDBe:8a7r, PDBj:8a7r
PDBsum8a7r
PubMed37308711
UniProtM1JS91

[Back to BioLiP]