Structure of PDB 7byl Chain A Binding Site BS01

Receptor Information
>7byl Chain A (length=354) Species: 6100,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAAHKRYRRLQNWVYNVLERPRGWAFVYHVFIFLLVFSCLVLSVLSTIQE
HQELANECLLILEFVMIVVFGLEYIVRVWSAGCCCRYRGWQGRFRFARKP
FCVIDFIVFVASVAVIAAGTATSALRSMRFLQILRMVRMDRRGGTWKLLG
SVVYAHSKELITAWYIGFLVLIFASFLVYLAEKDANSDFSSYADSLWWGT
ITLTTIGYGDKTPHTWLGRVLAAGFALLGISFFALPAGILGSGFALKVQE
QHRQKHFEKRRMPAANLIQAAWRLYSTDMSRAYLTATWYDDIMPAVKTVI
RSIRILKFLVAKRKFKETLRPYDVKDVIEQYSAGHLDMLGRIKSLQTRVD
QIVG
Ligand information
Ligand IDPT5
InChIInChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17?,24-22-,30-28?/t39-,42-,43+,44+,45-,46-,47-/m1/s1
InChIKeyCNWINRVXAYPOMW-HJBQCNPJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C/C=C/CC=CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC
FormulaC47 H85 O19 P3
Name[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate;
Phosphatidylinositol 4,5-bisphosphate;
PtdIns(4,5)P2
ChEMBL
DrugBank
ZINC
PDB chain7byl Chain A Residue 701 [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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PDB7byl Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		P94 V103 R150 F174 R216 M217 R219
Binding residue
(residue number reindexed from 1)		P21 V30 R77 F101 R138 M139 R141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0005216 monoatomic ion channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005267 potassium channel activity
GO:0005515 protein binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0007605 sensory perception of sound
GO:0008218 bioluminescence
GO:0042472 inner ear morphogenesis
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005575 cellular_component
GO:0005886 plasma membrane
GO:0008076 voltage-gated potassium channel complex
GO:0009925 basal plasma membrane
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7byl, PDBe:7byl, PDBj:7byl
PDBsum7byl
PubMed33238160
UniProtP42212|GFP_AEQVI Green fluorescent protein (Gene Name=GFP);
P56696|KCNQ4_HUMAN Potassium voltage-gated channel subfamily KQT member 4 (Gene Name=KCNQ4)

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