Structure of PDB 5n6q Chain A Binding Site BS01

Receptor Information
>5n6q Chain A (length=356) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SALFEPYTLKDVTLRNRIAIPPMCQYMAEDGLINDWHQVHYASMARGGAG
LLVVEATAVAPEGRITPGCAGIWSDAHAQAFVPVVQAIKAAGSVPGIQIA
HAGRKASANRPWEGDDHIDARGWETIAPSAIAFGAHLPNVPRAMTLDDIA
RVKQDFVDAARRARDAGFEWIELHFAHGYLGQSFFSEHSNKRTDAYGGSF
DNRSRFLLETLAAVREVWPENLPLTARFGVLEYDGRDEQTLEESIELARR
FKAGGLDLLSVSVGFTIPETNIPWGPAFMGPIAERVRREAKLPVTSAWGF
GTPQLAEAALQANQLDLVSVGRAHLADPHWAYFAAKELGVEKASWTLPAP
YAHWLE
Ligand information
Ligand ID8OZ
InChIInChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
InChIKeyONPJWQSDZCGSQM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C=C(c1ccccc1)C(=O)O
CACTVS 3.385OC(=O)C(=C)c1ccccc1
FormulaC9 H8 O2
Name2-Phenylacrylic acid
ChEMBL
DrugBank
ZINCZINC000001577296
PDB chain5n6q Chain A 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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PDB5n6q Structural insights into the ene-reductase synthesis of profens.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y27 H178 H181 Y183
Binding residue
(residue number reindexed from 1)		Y26 H174 H177 Y179
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C25 H178 H181 Y183 R231 R240
Catalytic site (residue number reindexed from 1) C24 H174 H177 Y179 R227 R236
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:0046872 metal ion binding
GO:0050661 NADP binding

View graph for
Molecular Function
External links
PDB RCSB:5n6q, PDBe:5n6q, PDBj:5n6q
PDBsum5n6q
PubMed28485453
UniProtQ9R9V9

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