Structure of PDB 6qlg Chain A Binding Site BS03

Receptor Information
>6qlg Chain A (length=188) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRRIVVAMTGATGAMLGIKVLIALRRLNVETHLVMSKWAEATIKYETDY
HPSNVRALADYVHNINDMAAPVSSGSFRADGMIVVPCSMKTLAAIHSGFC
DDLISRTADVMLKERRRLVLVARETPLSEIHLRNMLEVTRAGAVIFPPVP
AFYIKAGSIEDLIDQSVGRMLDLFDLDTGDFERWNGWE
Ligand information
Ligand IDDMA
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCOP(=O)(O)OP(=O)(O)O)C
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/C)C)O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.341CC(C)=CCO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCO[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
NameDIMETHYLALLYL DIPHOSPHATE
ChEMBLCHEMBL343480
DrugBankDB01785
ZINCZINC000008215740
PDB chain6qlg Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qlg The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Y191 R207 W222
Binding residue
(residue number reindexed from 1)		Y153 R169 W184
Annotation score3
Enzymatic activity
Enzyme Commision number 2.5.1.129: flavin prenyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004659 prenyltransferase activity
GO:0016831 carboxy-lyase activity
GO:0106141 flavin prenyltransferase activity
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Cellular Component
External links
PDB RCSB:6qlg, PDBe:6qlg, PDBj:6qlg
PDBsum6qlg
PubMed31142738
UniProtA3F715

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