Structure of PDB 4xdk Chain A Binding Site BS05

Receptor Information
>4xdk Chain A (length=248) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KWKTVVAIFVVVVVYLVTGGLVFRALEQPFESSQKNTIALEKAEFLRDHV
CVSPQELETLIQHALDADNAGVSPIGNSHWDLGSAFFFAGTVITTIGYGN
IAPSTEGGKIFCILYAIFGIPLFGFLLAGIGDQLGTIFGKSIARVEKVFR
KKQVSQTKIRVISTILFILAGCIVFVTIPAVIFKYIEGWTALESIYFVVV
TLTTVGFGDFVAGGREWYKPLVWFWILVGLAYFAAVLSMIGDWLRVLS
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)		V253 L279 T280 F316 L320
Binding residue
(residue number reindexed from 1)		V176 L202 T203 F233 L237
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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