Structure of PDB 5lni Chain A Binding Site BS02

Receptor Information
>5lni Chain A (length=359) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SALFEPYTLKDVTLRNRIAIPPMCQYMAEDGMINDWHHVHLAGLARGGAG
LLVVEATAVAPEGRITPGCAGIWSDAHAQAFVPVVQAIKAAGSVPGIQIA
HAGRKASANRPWEGDDHIAADDTRGWETIAPSAIAFGAHLPKVPREMTLD
DIARVKQDFVDAARRARDAGFEWIELHFAHGFLGQSFFSEHSNKRTDAYG
GSFDNRSRFLLETLAAVREVWPENLPLTARFGVLEYDGRDEQTLEESIEL
ARRFKAGGLDLLSVSVGFTIPDTNIPWGPAFMGPIAERVRREAKLPVTSA
WGFGTPQLAEAALQANQLDLVSVGRAHLADPHWAYFAAKELGVEKASWTL
PAPYAHWLE
Ligand information
Ligand ID07L
InChIInChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
InChIKeyORHBXUUXSCNDEV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc2c(cc1O)OC(=O)C=C2
ACDLabs 12.01O=C2Oc1cc(O)ccc1C=C2
CACTVS 3.370Oc1ccc2C=CC(=O)Oc2c1
FormulaC9 H6 O3
Name7-hydroxy-2H-chromen-2-one;
7-hydroxycoumarin
ChEMBLCHEMBL51628
DrugBank
ZINCZINC000000058111
PDB chain5lni Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lni Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Resolution1.133 Å
Binding residue
(original residue number in PDB)		Y27 H178 H181 F183 W302
Binding residue
(residue number reindexed from 1)		Y26 H177 H180 F182 W301
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C25 H178 H181 F183 R231 R240
Catalytic site (residue number reindexed from 1) C24 H177 H180 F182 R230 R239
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003959 NADPH dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding

View graph for
Molecular Function
External links
PDB RCSB:5lni, PDBe:5lni, PDBj:5lni
PDBsum5lni
PubMed
UniProtA0A1X0ZT96

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