Structure of PDB 8z3s Chain D Binding Site BS02

Receptor Information
>8z3s Chain D (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 IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain8z3s Chain D Residue 1203 [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)		F131 S135 W246 W275
Binding residue
(residue number reindexed from 1)		F75 S79 W190 W219
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
View graph for
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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