Structure of PDB 8e57 Chain A Binding Site BS01

Receptor Information
>8e57 Chain A (length=1105) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNPLRKACISIVEWKPFETIILLTIFANCVALAVYLPMPEDDNNSLNLGL
EKLEYFFLTVFSIEAAMKIIAYSGWNVLDFIIVFLGVFTAILEQVNVVKA
LRAFRVLRPLRLVSGVPSLQVVLNSIFKAMLPLFHIALLVLFMVIIYAII
GLELFKGKMHKTCYYIGTDIVATVENEKPSPCARTGSGRPCTINGSECRG
GWPGPNHGITHFDNFGFSMLTVYQCITMEGWTDVLYWVNDAIGNEWPWIY
FVTLILLGSFFILNLVLGVLSGEFTKEREKAKSRVFYWLVILIVALNTLS
IASEHHNQPLWLTHLQDIANRVLLSLFTIEMLLKMYGLGLRQYFMSIFNR
FDCFVVCSGILELLLVESGAMTPLGISVLRCIRLLRLFKITKYWTSLSNL
VASLLNSIRSIASLLLLLFLFIIIFALLGMQLFGGRYDFEDTEVRRSNFD
NFPQALISVFQVLTGEDWNSVMYNGIMAYGGPSYPGVLVCIYFIILFVCG
NYILLNVFLAIAVDNLAEAESLTSAVNATWFTNFILLFILLSSAALAAED
PIRAESVRNQILGYFDIAFTSVFTVEIVLKMTTYGYFNILDLLVVAVSLI
SMVVKILRVLRVLRPLRAINRAKGLKHVVQCVFVAIRTIGNIVLVTTLLQ
FMFACIGVQLFKGKFFSCNDLSKMTEEECRGYYYVYKDGDPTQMELRPRQ
WIHNDFHFDNVLSAMMSLFTVSTFEGWPQLLYRAIDSNEEDMGPVYNNRV
EMAIFFIIYIILIAFFMMNIFVGFVIVTFQEQGDKNQRQCVQYALKARPL
RCYIPKNPYQYQVWYVVTSSYFEYLMFALIMLNTICLGMQHYHHISDILN
VAFTIIFTLEMILKLLAFKARGYFGDPWNVFDFLIVIGSIIDVILSEIDT
FLSAFFRLFRVMRLIKLLSRAEGVRTLLWTFIKSFQALPYVALLIVMLFF
IYAVIGMQMFGKIALVDGTQINRNNNFQTFPQAVLLLFRCATGEAWQEIL
LACSYGKLCDPESDYAPGEEYTCGTNFAYYYFISFYMLCAFLIINLFVAV
IMDNFDYLTRDWSILGPHHLDEFKAIWAEYDPEAKGRIKHLDVVTLLRRI
QPPLG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8e57 Chain A Residue 1901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e57 Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E292 E614 E1014 G1322
Binding residue
(residue number reindexed from 1)		E229 E466 E725 G993
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005245 voltage-gated calcium channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0008331 high voltage-gated calcium channel activity
GO:0044325 transmembrane transporter binding
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006936 muscle contraction
GO:0045933 positive regulation of muscle contraction
GO:0051209 release of sequestered calcium ion into cytosol
GO:0055085 transmembrane transport
GO:0060314 regulation of ryanodine-sensitive calcium-release channel activity
GO:0070588 calcium ion transmembrane transport
GO:0071313 cellular response to caffeine
GO:0098703 calcium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0005891 voltage-gated calcium channel complex
GO:0016020 membrane
GO:0030315 T-tubule
GO:0034702 monoatomic ion channel complex
GO:1990454 L-type voltage-gated calcium channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8e57, PDBe:8e57, PDBj:8e57
PDBsum8e57
PubMed36417914
UniProtP07293|CAC1S_RABIT Voltage-dependent L-type calcium channel subunit alpha-1S (Gene Name=CACNA1S)

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