Structure of PDB 4xdk Chain D Binding Site BS04

Receptor Information
>4xdk Chain D (length=241) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KWKTVVAIFVVVVVYLVTGGLVFRALEQPFESSQKNTIALEKAEFLRDHV
CVSPQELETLIQHALDADNAGVSPIGNSSHWDLGSAFFFAGTVITTIGYG
NIAPSTEGGKIFCILYAIFGIPLFGFLLAGIGDQLGTIFGKSIVISTILF
ILAGCIVFVTIPAVIFKYIEGWTALESIYFVVVTLTTVGFGDFVAGGNAG
INREWYKPLVWFWILVGLAYFAAVLSMIGDWLRVLSKKTKE
Ligand information
Ligand ID408
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
InChIKeyWIQRCHMSJFFONW-OAHLLOKOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F
OpenEye OEToolkits 1.9.2c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F
ACDLabs 12.01FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
CACTVS 3.385NCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
CACTVS 3.385NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
FormulaC16 H16 F3 N O
Name(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;
(R)-Norfluoxetine
ChEMBLCHEMBL446084
DrugBank
ZINCZINC000001645453
PDB chain4xdk Chain C Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xdk K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		I194 I197 P198
Binding residue
(residue number reindexed from 1)		I118 I121 P122
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005267 potassium channel activity
Biological Process
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xdk, PDBe:4xdk, PDBj:4xdk
PDBsum4xdk
PubMed25766236
UniProtP57789|KCNKA_HUMAN Potassium channel subfamily K member 10 (Gene Name=KCNK10)

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