Structure of PDB 6ale Chain B Binding Site BS01

Receptor Information
>6ale Chain B (length=95) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRKLELTKAEKHFHNFMMDTQLTKRVKNAAANVLRETWLIYKNTKLVKKI
DHAKVRKHQRKFLQAIHQLRSVKMEQRKLNDQANTLVDLAKTQLE
Ligand information
Ligand ID1KP
InChIInChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)
InChIKeyCVOUSAVHMDXCKG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1ccc\2c(c1Cl)NC(=O)C/2=N\O
OpenEye OEToolkits 1.7.6c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl
CACTVS 3.370ON=C1C(=O)Nc2c(Cl)c(Cl)ccc12
CACTVS 3.370O\N=C/1C(=O)Nc2c(Cl)c(Cl)ccc/12
FormulaC8 H4 Cl2 N2 O2
Name(3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
ChEMBLCHEMBL499968
DrugBank
ZINCZINC000013829418
PDB chain6ale Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ale A V-to-F substitution in SK2 channels causes Ca2+hypersensitivity and improves locomotion in a C. elegans ALS model.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N409 F410 A477
Binding residue
(residue number reindexed from 1)		N15 F16 A83
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005516 calmodulin binding
GO:0015269 calcium-activated potassium channel activity
GO:0016286 small conductance calcium-activated potassium channel activity
Biological Process
GO:0006813 potassium ion 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:6ale, PDBe:6ale, PDBj:6ale
PDBsum6ale
PubMed30013223
UniProtQ9H2S1|KCNN2_HUMAN Small conductance calcium-activated potassium channel protein 2 (Gene Name=KCNN2)

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