Structure of PDB 7abo Chain A Binding Site BS01

Receptor Information
>7abo Chain A (length=498) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSMNRSALDFRHFVDHLRRQGDLVDVHTEVDANLEIGAITRRVYERRAPA
PLFHNIRDSLPGARVLGAPAGLRADRARAHSRLALHFGLPEHSGPRDIVA
MLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRFPVPLLHEQDGGRYF
GTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPTIPTQHIGIIREQWRR
LGKPTPWAMALGAPPAALAAAGMPLPEGVSEAGYVGALVGEPVEVVRTQT
NGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHAL
SFRDQPILPICVAGTPPEEHHTIWGTMISAQLLDVAQNAGLPVDMVWCSY
EAATCWAVLSIDVQRLAALGTDAAAFAARVAETVFGSHAGHLVPKLILVG
NDIDVTEIDQVVWALATRAHPLHDHFAFPQIRDFPMVPYLDAEDKARGSG
GRLVINCLYPEQFAGQMRAATASFRHAYPTALRRRVEERWSDYGFGDA
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 chain7abo Chain A Residue 501 [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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PDB7abo Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		V168 Q187 H188 A219 G220 M221 P222 H318 W322 H386
Binding residue
(residue number reindexed from 1)		V170 Q189 H190 A221 G222 M223 P224 H320 W324 H388
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.93: pyrrole-2-carboxylate decarboxylase.
Gene Ontology
Molecular Function
GO:0008694 3-octaprenyl-4-hydroxybenzoate carboxy-lyase activity
GO:0016831 carboxy-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006744 ubiquinone biosynthetic process
GO:0009056 catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7abo, PDBe:7abo, PDBj:7abo
PDBsum7abo
PubMed33763291
UniProtQ9I6N5|P2CDC_PSEAE Pyrrole-2-carboxylic acid decarboxylase (Gene Name=hudA)

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