Structure of PDB 1v5z Chain B Binding Site BS04

Receptor Information
>1v5z Chain B (length=217) Species: 668 (Aliivibrio fischeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THPIIHDLENRYTSKKYDPSKKVSQEDLAVLLEALRLSASSINSQPWKFI
VIESDAAKQRMHDSFANMHQFNQPHIKACSHVILFANKLSYTRDDYDVVL
SKAVADKRITEEQKEAAFASFKFVELNCDENGEHKAWTKPQAYLALGNAL
HTLARLNIDSTTMEGIDPELLSEIFADELKGYECHVALAIGYHHPSEDYN
ASLPKSRKAFEDVITIL
Ligand information
Ligand ID2HC
InChIInChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKeyPMOWTIHVNWZYFI-AATRIKPKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)C=Cc1ccccc1O
CACTVS 3.341OC(=O)\C=C\c1ccccc1O
ACDLabs 10.04O=C(O)/C=C/c1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C=CC(=O)O)O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)\C=C\C(=O)O)O
FormulaC9 H8 O3
Name(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID;
TRANS-2-HYDROXYCINNAMIC ACID;
O-COUMARIC ACID
ChEMBLCHEMBL52564
DrugBankDB01650
ZINCZINC000000895911
PDB chain1v5z Chain B Residue 1815 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1v5z Binding of coumarins to NAD(P)H:FMN oxidoreductase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S42 I43 F124
Binding residue
(residue number reindexed from 1)		S41 I42 F123
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K16 H76 E165
Catalytic site (residue number reindexed from 1) K15 H75 E164
Enzyme Commision number 1.6.99.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0008218 bioluminescence

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Molecular Function
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Biological Process
External links
PDB RCSB:1v5z, PDBe:1v5z, PDBj:1v5z
PDBsum1v5z
PubMed
UniProtP46072|FRA1_ALIFS Major NAD(P)H-flavin oxidoreductase

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