Structure of PDB 6jpb Chain A Binding Site BS01

Receptor Information
>6jpb Chain A (length=1274) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FCLTLQNPLRKACISIVEWKPFETIILLTIFANCVALAVYLPMPEDDNNS
LNLGLEKLEYFFLTVFSIEAAMKIIAYGFLFHQDAYLRSGWNVLDFIIVF
LGVFTAILEQVNVVKALRAFRVLRPLRLVSGVPSLQVVLNSIFKAMLPLF
HIALLVLFMVIIYAIIGLELFKGKMHKTCYYIGTDIVATVENEKPSPCAR
TGSGRPCTINGSECRGGWPGPNHGITHFDNFGFSMLTVYQCITMEGWTDV
LYWVNDAIGNEWPWIYFVTLILLGSFFILNLVLGVLSGEFTKEREKAKSR
GTFQKLREKQQLEEDLRGYMSWITQGEVMNRVFRWKCHDLVKSRVFYWLV
ILIVALNTLSIASEHHNQPLWLTHLQDIANRVLLSLFTIEMLLKMYGLGL
RQYFMSIFNRFDCFVVCSGILELLLVESGAMTPLGISVLRCIRLLRLFKI
TKYWTSLSNLVASLLNSIRSIASLLLLLFLFIIIFALLGMQLFGGRYDFE
DTEVRRSNFDNFPQALISVFQVLTGEDWNSVMYNGIMAYGGPSYPGVLVC
IYFIILFVCGNYILLNVFLAIAVDNLAEAESLTSAQKAKAEERKRRKMSV
RVLCHRIVNATWFTNFILLFILLSSAALAAEDPIRAESVRNQILGYFDIA
FTSVFTVEIVLKMTTYGYFNILDLLVVAVSLISMVVKILRVLRVLRPLRA
INRAKGLKHVVQCVFVAIRTIGNIVLVTTLLQFMFACIGVQLFKGKFFSC
NDLSKMTEEECRGYYYVYKDGDPTQMELRPRQWIHNDFHFDNVLSAMMSL
FTVSTFEGWPQLLYRAIDSNEEDMGPVYNNRVEMAIFFIIYIILIAFFMM
NIFVGFVIVTFQEQGETEYKNCELDKNQRQCVQYALKARPLRCYIPKNPY
QYQVWYVVTSSYFEYLMFALIMLNTICLGMQHYHQSEEMNHISDILNVAF
TIIFTLEMILKLLAFKARGYFGDPWNVFDFLIVIGSIIDVILSEIDTFLS
AFFRLFRVMRLIKLLSRAEGVRTLLWTFIKSFQALPYVALLIVMLFFIYA
VIGMQMFGKIALVDGTQINRNNNFQTFPQAVLLLFRCATGEAWQEILLAC
SYGKLCDPESDYAPGEEYTCGTNFAYYYFISFYMLCAFLIINLFVAVIMD
NFDYLTRDWSILGPHHLDEFKAIWAEYDPEAKGRIKHLDVVTLLRRIQPP
LGFGKFCPHRVACKRLVGMNMPLNSDGTVTFNATLFALVRTALKIKTEGN
FEQANEELRAIIKKIWKRTSMKLL
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 chain6jpb Chain A Residue 1902 [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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PDB6jpb Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E292 E614 E1014
Binding residue
(residue number reindexed from 1)		E245 E526 E807
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
View graph for
Cellular Component
External links
PDB RCSB:6jpb, PDBe:6jpb, PDBj:6jpb
PDBsum6jpb
PubMed31150622
UniProtP07293|CAC1S_RABIT Voltage-dependent L-type calcium channel subunit alpha-1S (Gene Name=CACNA1S)

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