Structure of PDB 4xdk Chain B Binding Site BS05

Receptor Information
>4xdk Chain B (length=251) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KWKTVVAIFVVVVVYLVTGGLVFRALEQPFESSQKNTIALEKAEFLRDHV
CVSPQELETLIQHALDADNAGVSPIGNSSNNSSHWDLGSAFFFAGTVITT
IGYGNIAPSTEGGKIFCILYAIFGIPLFGFLLAGIGDQLGTIFGKSIARV
SQTKIRVISTILFILAGCIVFVTIPAVIFKYIEGWTALESIYFVVVTLTT
VGFGDFVAGGNAGINYREWYKPLVWFWILVGLAYFAAVLSMIGDWLRVLS
K
Ligand information
Ligand ID405
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-/m0/s1
InChIKeyWIQRCHMSJFFONW-HNNXBMFYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F
CACTVS 3.385NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
ACDLabs 12.01FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
CACTVS 3.385NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
FormulaC16 H16 F3 N O
Name(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;
(S)-Norfluoxetine
ChEMBLCHEMBL465123
DrugBankDB06731
ZINCZINC000000004531
PDB chain4xdk Chain A Residue 607 [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 P198
Binding residue
(residue number reindexed from 1)		I122 P126
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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