Structure of PDB 6cq9 Chain A Binding Site BS03

Receptor Information
>6cq9 Chain A (length=276) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQR
EKFLRAHPCVSDQELDELIQQIVAAINAGSHWDLGSSFFFAGTVITTIGF
GNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTIFGKGIAKVEDT
FIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIEGWSALDAIYFV
VITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAYFAAVLSMIGDW
LRVIAKKTKEAVGEFRAHAAEWTANV
Ligand information
Ligand IDQ5F
InChIInChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyRULQUKFOBAPKKR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl
CACTVS 3.385Cc1cc(Cl)ccc1OCCNC(=O)c2sccc2
ACDLabs 12.01C(COc1c(C)cc(cc1)Cl)NC(c2sccc2)=O
FormulaC14 H14 Cl N O2 S
NameN-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000003671497
PDB chain6cq9 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cq9 K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S131 F134 G137 T138 A259 G260 G261 K271 V274 W275 I278
Binding residue
(residue number reindexed from 1)		S86 F89 G92 T93 A214 G215 G216 K226 V229 W230 I233
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:6cq9, PDBe:6cq9, PDBj:6cq9
PDBsum6cq9
PubMed28693035
UniProtP97438|KCNK2_MOUSE Potassium channel subfamily K member 2 (Gene Name=Kcnk2)

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