Structure of PDB 8hkq Chain A Binding Site BS01

Receptor Information
>8hkq Chain A (length=902) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSSLRIRLFNFSLKLLTCLLYIVRVLLDDPALGIGCWGCPKQNYSFNDSS
SEINWAPILWVERKMTLWAIQVIVAIISFLETMLLIYLSYKGNIWEQIFR
VSFVLEMINTLPFIITIFWPPLRNLFIPVFLNCWLAKHALENMINDFHRS
AMFNQVLILFCTLLCLVFTGTCGIQHLERAGENLSLLTSFYFCIVTFSTV
GYGDVTPKIWPSQLLVVIMICVALVVLPLQFEELVYLWMERQKQTEKHVV
LCVSSLKIDLLMDFLNEFYAHPRLQDYYVVILCPTEMDVQVRRVLQIPLW
SQRVIYLQGSALKDQDLMRAKMDNGEACFILSSRNEVDRTAADHQTILRA
WAVKDFAPNCPLYVQILKPENKFHVKFADHVVCEEECKYAMLALNCICPA
TSTLITLLVHTSRGQEGQESPEQWQRMYGRCSGNEVYHIRMGDSKFFREY
EGKSFTYAAFHAHKKYGVCLIGLKREDNKSILLNPGPRHILAASDTCFYI
NITKEENSAFIFKQEEKRKIAPVLELAVEYVKGYPPNSPYIGSSPTLCHL
LPVKAPFCCLRLDKGCKHNSYEDAKAYGFKNKLIIVSAETAGNGLYNFIV
PLRAYYRSRKELNPIVLLLDNKPDHHFLEAICCFPMVYYMEGSVDNLDSL
LQCGIIYADNLVVVDKESTMSAEEDYMADAKTIVNVQTMFRLFPSLSITT
ELTHPSNMRFMQFRAKDSYSLALSKLEKRERENGSNLAFMFRLPFAAGRV
FSISMLDTLLYQSFVKDYMITITRLLLGLDTTPGSGYLCAMKITEGDLWI
RTYGRLFQKLCSSSAEIPIGIYRTESHVFAAEWISQQRLSLYRRSERQEL
SELVKNRMKHLGLPTTGYDHQNTLSYVLINPPPDTRLEPSDIVYLIRSDP
LA
Ligand information
Ligand IDLQ9
InChIInChI=1S/C16H15F3N6O3/c1-8(21-14(26)10-7-11(16(17,18)19)23-25(10)2)15-22-13(24-28-15)9-4-5-20-12(6-9)27-3/h4-8H,1-3H3,(H,21,26)/t8-/m0/s1
InChIKeyHBUQPGAOVFRJMM-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc(nn3C)C(F)(F)F
OpenEye OEToolkits 2.0.7CC(c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc(nn3C)C(F)(F)F
CACTVS 3.385COc1cc(ccn1)c2noc(n2)[CH](C)NC(=O)c3cc(nn3C)C(F)(F)F
CACTVS 3.385COc1cc(ccn1)c2noc(n2)[C@H](C)NC(=O)c3cc(nn3C)C(F)(F)F
FormulaC16 H15 F3 N6 O3
Name~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
ChEMBLCHEMBL4788669
DrugBank
ZINC
PDB chain8hkq Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8hkq Structural basis of human Slo2.2 channel gating and modulation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C308 T311 F312 M334 L339
Binding residue
(residue number reindexed from 1)		C193 T196 F197 M219 L224
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006813 potassium ion transport
Cellular Component
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8hkq, PDBe:8hkq, PDBj:8hkq
PDBsum8hkq
PubMed37494189
UniProtQ5JUK3|KCNT1_HUMAN Potassium channel subfamily T member 1 (Gene Name=KCNT1)

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