Structure of PDB 6rv2 Chain B Binding Site BS07

Receptor Information
>6rv2 Chain B (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRQNVRTLALIVCTFTYLLVGAAVFDALESEPELIERQRLELRQQELRA
RYNLSQGGYEELERVVLRLKPHKAGVQWRFAGSFYFAITVITTIGYGHAA
PSTDGGKVFCMFYALLGIPLTLVMFQSLGERINTLVRYLLHRAKKGLGAD
VSMANMVLIGFFSCISTLCIGAAAFSHYEHWTFFQAYYYCFITLTTIGFG
DYVALQKDQALQTQPQYVAFSFVYILTGLTVIGAFLNLVVLRFMTMNAED
EKRDAENL
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 chain6rv2 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6rv2 A lower X-gate in TASK channels traps inhibitors within the vestibule.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R79 F80 A81 F84 Q215 F225
Binding residue
(residue number reindexed from 1)		R79 F80 A81 F84 Q212 F222
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005252 open rectifier potassium channel activity
GO:0005267 potassium channel activity
Biological Process
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6rv2, PDBe:6rv2, PDBj:6rv2
PDBsum6rv2
PubMed32499642
UniProtO14649|KCNK3_HUMAN Potassium channel subfamily K member 3 (Gene Name=KCNK3)

[Back to BioLiP]