Structure of PDB 8a78 Chain A Binding Site BS04

Receptor Information
>8a78 Chain A (length=335) Species: 80249 (Phaedon cochleariae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKEESREFMAIFPDIVRDLTDAHTDIPEVTKRFAKVLQYNVPTGKKTRGL
STVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDRSETR
RGQPCWYRQENVGFLAINDCLHVESSLYSVLRKYFSHLPCYVPIIELFHD
VNFKTNMGQSLDALCMKDGRPILSQFTMKRYSSIVKYKTSYYTFQLPVSL
GMYLADMYDPEQHRQAKTILMEIGEFAQIQDDFLDAFGDSKVGTDIKEGK
CSWLAVVALQRSNPAQRQIMEEHYGRPEPESTQIIKNLYIELGLPATFAV
YEEESFNIIRTHIHQISKGLPHDLFFKIMKKIYKR
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 chain8a78 Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a78 Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L175 M178 D179 R188 N244 Q247 K276 Y280 K342
Binding residue
(residue number reindexed from 1)		L87 M90 D91 R100 N156 Q159 K188 Y192 K250
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8a78, PDBe:8a78, PDBj:8a78
PDBsum8a78
PubMed37308711
UniProtM1JS91

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