Structure of PDB 8z3s Chain B Binding Site BS01

Receptor Information
>8z3s Chain B (length=900) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVGWMTSVKDWAGVMIS
AQTLTGRVLVVLVFALSIGALVIYFIDSSNPIESCQNFYKDFTLQIDMAF
NVFFLLYFGLRFIAANDKLWFWLEVNSVVDFFTVPPVFVSVYLNRSWLGL
RFLRALRLIQFSEILQFLNILKTSNSIKLVNLLSIFISTWLTAAGFIHLV
ENSGDPWENFQNNQALTYWECVYLLMVTMSTVGYGDVYAKTTLGRLFMVF
FILGGLAMFASYVPEIIELIGNRKKYGGSYSAVSGRKHIVVCGHITLESV
SNFLKDFLHKDRDDVNVEIVFLHNISPNLELEALFKRHFTQVEFYQGSVL
NPHDLARVKIESADACLILANKYCADPDAEDASNIMRVISIKNYHPKIRI
ITQMLQYHNKAHLLNIPSWNWKEGDDAICLAELKLGFIAQSCLAQGLSTM
LANLFSMRSFIKIEEDTWQKYYLEGVSNEMYTEYLSSAFVGLSFPTVCEL
CFVKLKLLMIAIEYKSANRESRILINPGNHLKIQEGTLGFFIASDAKEVK
RAFFYCKACNVKKYDSTGMFHWCAPKEIEKVILTRSEAAMTVLSGHVVVC
IFGDVSSALIGLRNLVMPLRASNFHYHELKHIVFVGSIEYLKREWETLHN
FPKVSILPGTPLSRADLRAVNINLCDMCVILSANQNNIDDTSLQDKECIL
ASLNIKSMQFDDSITTGVNIPIITELVNDTNVQFLDQDDDDDPDTELYLT
QPFACGTAFAVSVLDSLMSATYFNDNILTLIRTLVTGGATPELEALIAEE
NALRGGYSTPQTLANRDRCRVAQLALLDGPFADLGDGGCYGDLFCKALKT
YNMLCFGIYRLRDAHLSTPSQCTKRYVITNPPYEFELVPTDLIFCLMQFD
Ligand information
Ligand IDA1L04
InChIInChI=1S/C16H9ClF3NO3/c17-9-3-1-8(2-4-9)13-14(24-21-15(13)16(18,19)20)11-6-5-10(22)7-12(11)23/h1-7,22-23H
InChIKeyBYNUBBWBGHJHNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1c2c(onc2C(F)(F)F)c3ccc(cc3O)O)Cl
FormulaC16 H9 Cl F3 N O3
Name4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
ChEMBL
DrugBank
ZINC
PDB chain8z3s Chain B Residue 1202 [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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PDB8z3s Activation mechanism and novel binding site of the BKCa channel activator CTIBD
Resolution3.9 Å
Binding residue
(original residue number in PDB)		W203 S259 P262
Binding residue
(residue number reindexed from 1)		W147 S203 P206
Annotation score1
Gene Ontology
Molecular Function
GO:0003779 actin binding
GO:0005249 voltage-gated potassium channel activity
GO:0005267 potassium channel activity
GO:0005515 protein binding
GO:0015269 calcium-activated potassium channel activity
GO:0046872 metal ion binding
GO:0060072 large conductance calcium-activated potassium channel activity
Biological Process
GO:0001666 response to hypoxia
GO:0006813 potassium ion transport
GO:0006970 response to osmotic stress
GO:0030007 intracellular potassium ion homeostasis
GO:0034465 response to carbon monoxide
GO:0042311 vasodilation
GO:0042391 regulation of membrane potential
GO:0043065 positive regulation of apoptotic process
GO:0045794 negative regulation of cell volume
GO:0051592 response to calcium ion
GO:0060073 micturition
GO:0060083 smooth muscle contraction involved in micturition
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0005901 caveola
GO:0008076 voltage-gated potassium channel complex
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0034702 monoatomic ion channel complex
GO:0045211 postsynaptic membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8z3s, PDBe:8z3s, PDBj:8z3s
PDBsum8z3s
PubMed39089879
UniProtQ12791|KCMA1_HUMAN Calcium-activated potassium channel subunit alpha-1 (Gene Name=KCNMA1)

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