Structure of PDB 6lqa Chain B Binding Site BS01

Receptor Information
>6lqa Chain B (length=1151) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIY
TFESLVKILARGFCLHAFTFLRDPWNWLDFSVIIMAYTTEFVDLGNVSAL
RTFRVLRALKTISVISGLKTIVGALIQSVKKLADVMVLTVFCLSVFALIG
LQLFMGNLRHKCVRNFTALNGTNGSVEADGLVWESLDLYLSDPENYLLKN
GTSDVLLCGNSSDAGTCPEGYRCLKAGENPDHGYTSFDSFAWAFLALFRL
MTQDCWERLYQQTLRSAGKIYMIFFMLVIFLGSFYLVNLILAVVAMAYEE
QNQATIAETEECCPLWMSIKQGVKLVVMDPFTDLTITMCIVLNTLFMALE
HYNMTSEFEEMLQVGNLVFTGIFTAEMTFKIIALDPYYYFQQGWNIFDSI
IVILSLMELGLSRMSNLSVLRSFRLLRVFKLAKSWPTLNTLIKIIGNSVG
ALGNLTLVLAIIVFIFAVVGMQLFGKNYSELRDSDSGLLPRWHMMDFFHA
FLIIFRILCGEWIETMWDCMEVSGQSLCLLVFLLVMVIGNLVVLNLFLAL
LLSSFSAGKVWWRLRKTCYHIVEHSWFETFIIFMILLSSGALAFEDIYLE
ERKTIKVLLEYADKMFTYVFVLEMLLKWVAYGFKKYFTNAWCWLDFLIVD
VSLVSLVANTLGFAEMGPIKSLRTLRALRPLRALSRFEGMRVVVNALVGA
IPSIMNVLLVCLIFWLIFSIMGVNLFAGKFGRCINQTEGDLPLNYTIVNN
KSQCESLNLTGELYWTKVKVNFDNVGAGYLALLQVATFKGWMDIMYAAVD
SRGYEEQPQWEYNLYMYIYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKL
GGQDIFMTEEQKKYYNAMKKLGSKKPQKPIPRPLNKYQGFIFDIVTKQAF
DVTIMFLICLNMVTMMVETDDQSPEKINILAKINLLFVAIFTGECIVKLA
ALRHYYFTNSWNIFDFVVVILSIVGTVLSDIIQKYFFSPTLFRVIRLARI
GRILRLIRGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYSIFGMANFA
YVKWEAGIDDMFNFQTFANSMLCLFQITTSAGWDGLLSPILNTGPPYCDP
TLPNSNGSRGDCGSPAVGILFFTTYIIISFLIVVNMYIAIILENFSVATE
E
Ligand information
Ligand IDQDN
InChIInChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
InChIKeyLOUPRKONTZGTKE-LHHVKLHASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O
OpenEye OEToolkits 1.9.2COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O
CACTVS 3.385COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1
CACTVS 3.385COc1ccc2nccc([CH](O)[CH]3C[CH]4CC[N]3C[CH]4C=C)c2c1
ACDLabs 12.01O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C
FormulaC20 H24 N2 O2
NameQuinidine;
(9S)-6'-methoxycinchonan-9-ol
ChEMBLCHEMBL1294
DrugBankDB00908
ZINCZINC000003831405
PDB chain6lqa Chain B Residue 2110 [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]
PDB6lqa Structural Basis for Pore Blockade of the Human Cardiac Sodium Channel Na v 1.5 by the Antiarrhythmic Drug Quinidine*.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		V405 T1417 S1710 V1763
Binding residue
(residue number reindexed from 1)		V287 T787 S1080 V1133
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005248 voltage-gated sodium channel activity
GO:0005261 monoatomic cation channel activity
GO:0005272 sodium channel activity
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0017134 fibroblast growth factor binding
GO:0019899 enzyme binding
GO:0019901 protein kinase binding
GO:0019904 protein domain specific binding
GO:0030506 ankyrin binding
GO:0031625 ubiquitin protein ligase binding
GO:0044325 transmembrane transporter binding
GO:0050998 nitric-oxide synthase binding
GO:0086006 voltage-gated sodium channel activity involved in cardiac muscle cell action potential
GO:0086060 voltage-gated sodium channel activity involved in AV node cell action potential
GO:0086061 voltage-gated sodium channel activity involved in bundle of His cell action potential
GO:0086062 voltage-gated sodium channel activity involved in Purkinje myocyte action potential
GO:0086063 voltage-gated sodium channel activity involved in SA node cell action potential
GO:0097110 scaffold protein binding
Biological Process
GO:0002027 regulation of heart rate
GO:0003161 cardiac conduction system development
GO:0003231 cardiac ventricle development
GO:0003360 brainstem development
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0010765 positive regulation of sodium ion transport
GO:0014894 response to denervation involved in regulation of muscle adaptation
GO:0021537 telencephalon development
GO:0021549 cerebellum development
GO:0034220 monoatomic ion transmembrane transport
GO:0035725 sodium ion transmembrane transport
GO:0042475 odontogenesis of dentin-containing tooth
GO:0045760 positive regulation of action potential
GO:0050679 positive regulation of epithelial cell proliferation
GO:0051899 membrane depolarization
GO:0055085 transmembrane transport
GO:0060048 cardiac muscle contraction
GO:0060307 regulation of ventricular cardiac muscle cell membrane repolarization
GO:0060371 regulation of atrial cardiac muscle cell membrane depolarization
GO:0060372 regulation of atrial cardiac muscle cell membrane repolarization
GO:0060373 regulation of ventricular cardiac muscle cell membrane depolarization
GO:0071277 cellular response to calcium ion
GO:0086002 cardiac muscle cell action potential involved in contraction
GO:0086004 regulation of cardiac muscle cell contraction
GO:0086005 ventricular cardiac muscle cell action potential
GO:0086010 membrane depolarization during action potential
GO:0086012 membrane depolarization during cardiac muscle cell action potential
GO:0086014 atrial cardiac muscle cell action potential
GO:0086015 SA node cell action potential
GO:0086016 AV node cell action potential
GO:0086043 bundle of His cell action potential
GO:0086045 membrane depolarization during AV node cell action potential
GO:0086046 membrane depolarization during SA node cell action potential
GO:0086047 membrane depolarization during Purkinje myocyte cell action potential
GO:0086048 membrane depolarization during bundle of His cell action potential
GO:0086067 AV node cell to bundle of His cell communication
GO:0086091 regulation of heart rate by cardiac conduction
GO:0098912 membrane depolarization during atrial cardiac muscle cell action potential
GO:1902305 regulation of sodium ion transmembrane transport
Cellular Component
GO:0001518 voltage-gated sodium channel complex
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0005901 caveola
GO:0009986 cell surface
GO:0014704 intercalated disc
GO:0016020 membrane
GO:0016328 lateral plasma membrane
GO:0030018 Z disc
GO:0030315 T-tubule
GO:0034702 monoatomic ion channel complex
GO:0042383 sarcolemma
GO:0048471 perinuclear region of cytoplasm
GO:0070161 anchoring junction

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6lqa, PDBe:6lqa, PDBj:6lqa
PDBsum6lqa
PubMed33684260
UniProtQ14524|SCN5A_HUMAN Sodium channel protein type 5 subunit alpha (Gene Name=SCN5A)

[Back to BioLiP]