Structure of PDB 5lsm Chain C Binding Site BS01

Receptor Information
>5lsm Chain C (length=338) Species: 211586 (Shewanella oneidensis MR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CRLTRLFGIEFPIIQAPMAGVQGSALAIAVSEAGGLGSLPCAMLSLEALE
AELTAIRSQTAKPINVNFFCHREPVAQAAKQAAWLEQLAPYFAEFNLTPY
SKAQAEVLAKFKPEVVSFHFGLPDEELLLEIKSWGSKVISTATTVEEALW
LEARGADAIIAQGLEAGGHRGHFLSEDLTEQLGTFSLLPQIIAAVEIPVI
AAGGIVDATTVRAAMTMGASAVQVGTAYLLCPECNTSAIHREALQSDAAQ
HTALTNLFSGRPARGIVNRFMAEMGPMNEAVPDFPLASSAVAGLRTAAER
LGFWDFSPLWCGQNASGCRAIPAADLTRSFVLSLSSVE
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 chain5lsm Chain C Residue 401 [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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PDB5lsm Crystal structure of nitronate monooxygenase (SO_0471) from Shewanella oneidensis MR-1
Resolution2.5 Å
Binding residue
(original residue number in PDB)		P19 M20 A21 N69 H132 A179 G180 G181 G216 G217 G238 T239 W323
Binding residue
(residue number reindexed from 1)		P17 M18 A19 N67 H119 A166 G167 G168 G203 G204 G225 T226 W310
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.12.16: nitronate monooxygenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003674 molecular_function
GO:0004497 monooxygenase activity
GO:0018580 nitronate monooxygenase activity
Biological Process
GO:0008150 biological_process
GO:0009636 response to toxic substance
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5lsm, PDBe:5lsm, PDBj:5lsm
PDBsum5lsm
PubMed
UniProtQ8EJJ2

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