Structure of PDB 5lsm Chain B Binding Site BS01

Receptor Information
>5lsm Chain B (length=332) Species: 211586 (Shewanella oneidensis MR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CRLTRLFIEFPIIQAPMAGVQGSALAIAVSEAGGLGSLPCAMLSLEALEA
ELTAIRSQTAKPINVNFFCHREPVQAKQAAWLEQLAPYFAEFNLDPNRTP
YSKAQAEVLAKFKPEVVSFHFGLPDEELLLEIKSWGSKVISTATTVEEAL
WLEARGADAIIAQGLEAGGHRGHFLSEDLTEQLGTFSLLPQIIAAVEIPV
IAAGGIVDATTVRAAMTMGASAVQVGTAYLLCPECNTSAIHREALQSDAA
QHTALTNLFSGRPARGIVNRFMAEMGPMNEAVPDFPLASSAVAGLRTAAE
RLGFWDFSPLWCGQNASGCRAIPAADLTRSFV
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 B 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)		A18 P19 M20 A21 N69 H132 A179 G180 G216 G217 G238 T239 W323
Binding residue
(residue number reindexed from 1)		A15 P16 M17 A18 N66 H120 A167 G168 G204 G205 G226 T227 W311
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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