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Structure of PDB 5uu6 Chain D Binding Site BS01

Receptor Information
>5uu6 Chain D (length=235) Species: 223926 (Vibrio parahaemolyticus RIMD 2210633) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMNSTIQTILGHRSIRKFTSQPIDKEQLETILQAGLAASSSSMLQVVSIV
RVTDIEKRSQLAKFAGNQAYVESAAEFLVFCIDYQRHASINPDVQADFTE
LMLIGAVDSGIMAQNCLLAAESMGLGGVYIGGLRNNAQQVDELLGLPQNT
AILFGMCLGHPDQNPEVKPRLPAHVVVHENQYQDLNLDDIQAYDQTMQNY
YANQSTWSQEVTSKLAGESRPHILPYLNGKGLAKK
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 chain5uu6 Chain C 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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PDB5uu6 The crystal structure of nitroreductase A from Vibrio parahaemolyticus RIMD 2210633
Resolution1.95 Å
Binding residue
(original residue number in PDB)		S38 S39 S40 M42 D107
Binding residue
(residue number reindexed from 1)		S39 S40 S41 M43 D108
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links

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