Structure of PDB 6qlv Chain E Binding Site BS01

Receptor Information
>6qlv Chain E (length=193) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGPERITLAMTGASGAQYGLRLLDCLVQEEREVHFLISKAAQLVMATETD
VALPAKPQAMQAFLTEYCGAAAGQIRVFGQNDWMAPPASGSSAPNAMVIC
PCSTGTLSAVATGACNNLIERAADVALKERRPLVLVPREAPFSSIHLENM
LKLSNLGAVILPAAPGFYHQPQSVEDLVDFVVARILNTLGIPQ
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain6qlv Chain E Residue 301 [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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PDB6qlv The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Resolution2.391 Å
Binding residue
(original residue number in PDB)		T12 G13 A14 S15 S39 A41 V45 S104 T105 T107 R139
Binding residue
(residue number reindexed from 1)		T11 G12 A13 S14 S38 A40 V44 S103 T104 T106 R138
Annotation score2
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:0016829 lyase activity
GO:0016831 carboxy-lyase activity
GO:0106141 flavin prenyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6qlv, PDBe:6qlv, PDBj:6qlv
PDBsum6qlv
PubMed31142738
UniProtA0A072ZCW8

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