Structure of PDB 6w8f Chain A Binding Site BS02
Receptor Information
>6w8f Chain A (length=276) Species:
10090
(Mus musculus) [
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SDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQR
EKFLRAHPCVSDQELDELIQQIVAAINAGSHWDLGSSFFFAGTVITTIGF
GNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTIFGKGIAKVEDT
FIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIEGWSALDAIYFV
VITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAYFAAVLSMIGDW
LRVIAKKTKEAVGEFRAHAAEWTANV
Ligand information
Ligand ID
Q6F
InChI
InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKey
RDFIQTZRJRVFHK-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
C[S](=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl
ACDLabs 12.01
c1(ccc(cc1)NS(C)(=O)=O)C(NCc2c(cc(cc2)Cl)Cl)=O
OpenEye OEToolkits 2.0.6
CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl
Formula
C15 H14 Cl2 N2 O3 S
Name
N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
ChEMBL
DrugBank
ZINC
ZINC000001050726
PDB chain
6w8f Chain A Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
6w8f
K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Resolution
3.4 Å
Binding residue
(original residue number in PDB)
S131 F134 G137 I148 A259 G260 G261 W275 I278
Binding residue
(residue number reindexed from 1)
S86 F89 G92 I103 A214 G215 G216 W230 I233
Annotation score
1
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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Cellular Component
External links
PDB
RCSB:6w8f
,
PDBe:6w8f
,
PDBj:6w8f
PDBsum
6w8f
PubMed
33127683
UniProt
P97438
|KCNK2_MOUSE Potassium channel subfamily K member 2 (Gene Name=Kcnk2)
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