Structure of PDB 1t5b Chain B Binding Site BS01

Receptor Information
>1t5b Chain B (length=198) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKVLVLKSSILAGYSQSGQLTDYFIEQWREKHVADEITVRDLAANPVPV
LDGELVGAMRAPLTPRQQDALALSDELIAELKAHDVIVIAAPMYNFNIPT
QLKNYFDLIARAGITFRYTEKGPEGLVTGKRAVVLSSRGGIHKDTPTDLI
APYLKVFLGFIGITDVNFVFAEGIAYGPEVAAKAQADAKAAIDSVVAA
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 chain1t5b Chain B Residue 202 [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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PDB1t5b 1.4 A crystal structure of a protein from Salmonella typhimurium similar to E. coli acyl carrier protein phosphodiesterase
Resolution1.4 Å
Binding residue
(original residue number in PDB)		S10 S16 Q17 S18 P95 M96 Y97 N98 S140 R141 G142 G143 H145
Binding residue
(residue number reindexed from 1)		S10 S16 Q17 S18 P92 M93 Y94 N95 S137 R138 G139 G140 H142
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.5.-
1.7.1.17: FMN-dependent NADH-azoreductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016652 oxidoreductase activity, acting on NAD(P)H as acceptor
GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor

View graph for
Molecular Function
External links
PDB RCSB:1t5b, PDBe:1t5b, PDBj:1t5b
PDBsum1t5b
PubMed
UniProtP63462|AZOR_SALTY FMN-dependent NADH:quinone oxidoreductase (Gene Name=azoR)

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