Structure of PDB 5lva Chain B Binding Site BS01

Receptor Information
>5lva Chain B (length=172) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLVLAFHPNMEQSVVNRAFADTLKDAPGITLRDLYQEYPDEAIDVEKEQK
LCEEHDRIVFQFPLYWYSSPPLLKKWLDHVLLYGWAYGTNGTALRGKEFM
VAVSAGAPEEAYQAGGSNHYAISELLRPFQATSNFIGTTYLPPYVFYQAG
TAGKSELAEGATQYREHVLKSF
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 chain5lva Chain B Residue 201 [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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PDB5lva Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes.
Resolution2.53 Å
Binding residue
(original residue number in PDB)		H9 S15 V16 V17 N18 P65 L66 Y67 W68 Y69 S106 A107 G108 A109 Y114 A151
Binding residue
(residue number reindexed from 1)		H7 S13 V14 V15 N16 P63 L64 Y65 W66 Y67 S104 A105 G106 A107 Y112 A149
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G108 Y114 H121
Catalytic site (residue number reindexed from 1) G106 Y112 H119
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003955 NAD(P)H dehydrogenase (quinone) activity
GO:0009055 electron transfer activity
GO:0010181 FMN binding
Biological Process
GO:0032414 positive regulation of ion transmembrane transporter activity

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Molecular Function
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Biological Process
External links
PDB RCSB:5lva, PDBe:5lva, PDBj:5lva
PDBsum5lva
PubMed27714222
UniProtQ75V96

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