Structure of PDB 8we7 Chain A Binding Site BS03

Receptor Information
>8we7 Chain A (length=1251) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISIVEWKPFEIIILLTIFANCVALAIYIPFPEDDSNATNSNLERVEYLFL
IIFTVEAFLKVIAYGLRNGWNLLDFIIVVVGLFSAILEQATKDVKALRAF
RVLRPLRLVSGVPSLQVVLNSIIKAMVPLLHIALLVLFVIIIYAIIGLEL
FMGKMHKTCYNQEGIADVPAEDDPSPCALETGHGRQCQNGTVCKPGWDGP
KHGITNFDNFAFAMLTVFQCITMEGWTDVLYWVNDAVGRDWPWIYFVTLI
IIGSFFVLNLVLGVLSGEFSKEREKAKARGDFQKLREKQQLEEDLKGYLD
WITQAEDIDPRWNRFCRRKCRAAVKSNVFYWLVIFLVFLNTLTIASEHYN
QPNWLTEVQDTANKALLALFTAEMLLKMYSLGLQAYFVSLFNRFDCFVVC
GGILETILVETKIMSPLGISVLRCVRLLRIFKITRYWNSLSNLVASLLNS
VRSIASLLLLLFLFIIIFSLLGMQLFGGKFNFDEMQTRRSTFDNFPQSLL
TVFQILTGEDWNSVMYDGIMAYGGPSFPGMLVCIYFIILFICGNYILLNV
FLAIAVDNLADAESLTSAQKEEEEEKERKKLARTASTIFTNLILFFILLS
SISLAAEDPVQHTSFRNHILGNADYVFTSIFTLEIILKMTAYGRNYFNIL
DLLVVSVSLISFGIQSSAINVVKILRVLRVLRPLRAINRAKGLKHVVQCV
FVAIRTIGNIVIVTTLLQFMFACIGVQLFKGKLYTCSDSSKQTEAECKGN
YITYKDGEVDHPIIQPRSWENSKFDFDNVLAAMMALFTVSTFEGWPELLY
RSIDSHTEDKGPIYNYRVEISIFFIIYIIIIAFFMMNIFVGFVIVTFQEQ
GEQEYKNCELDKNQRQCVEYALKARPLRRYIPKNQHQYKVWYVVNSTYFE
YLMFVLILLNTICLAMQHYGQSCLFKIAMNILNMLFTGLFTVEMILKLIA
FKPKGYFSDPWNVFDFLIVIGSIIDVILSETSITFFRLFRVMRLVKLLSR
GEGIRTLLWTFIKSFQALPYVALLIVMLFFIYAVIGMQVFGKIALNDTTE
INRNNNFQTFPQAVLLLFRCATGEAWQDIMLACMPGKKCAPESETPCGSS
FAVFYFISFYMLCAFLIINLFVAVIMDNFDYLTRDWSILGPHHLDEFKRI
WAEYDPEAKGRIKHLDVVTLLRRIQPPLGFGKLCPHRVACKRLVSMNMPL
NSDGTVMFNATLFALVRTALRIKTEGNLEQANEELRAIIKKIWKRTSMKL
L
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(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)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8we7 Chain A Residue 2303 [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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PDB8we7 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A235 A238 L242 L668
Binding residue
(residue number reindexed from 1)		A96 A99 L103 L471
Annotation score1
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:0046872 metal ion binding
GO:0051393 alpha-actinin binding
GO:0086007 voltage-gated calcium channel activity involved in cardiac muscle cell action potential
GO:0086056 voltage-gated calcium channel activity involved in AV node cell action potential
Biological Process
GO:0002520 immune system development
GO:0006811 monoatomic ion transport
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007507 heart development
GO:0010881 regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
GO:0035115 embryonic forelimb morphogenesis
GO:0043010 camera-type eye development
GO:0045762 positive regulation of adenylate cyclase activity
GO:0045933 positive regulation of muscle contraction
GO:0055085 transmembrane transport
GO:0060402 calcium ion transport into cytosol
GO:0061337 cardiac conduction
GO:0061577 calcium ion transmembrane transport via high voltage-gated calcium channel
GO:0070588 calcium ion transmembrane transport
GO:0086002 cardiac muscle cell action potential involved in contraction
GO:0086012 membrane depolarization during cardiac muscle cell action potential
GO:0086045 membrane depolarization during AV node cell action potential
GO:0086064 cell communication by electrical coupling involved in cardiac conduction
GO:0086091 regulation of heart rate by cardiac conduction
GO:0098703 calcium ion import across plasma membrane
GO:0098911 regulation of ventricular cardiac muscle cell action potential
GO:0098912 membrane depolarization during atrial cardiac muscle cell action potential
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0005891 voltage-gated calcium channel complex
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0030018 Z disc
GO:0030315 T-tubule
GO:0030425 dendrite
GO:0034702 monoatomic ion channel complex
GO:0042383 sarcolemma
GO:0042995 cell projection
GO:0043204 perikaryon
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0098839 postsynaptic density membrane
GO:1990454 L-type voltage-gated calcium channel complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8we7, PDBe:8we7, PDBj:8we7
PDBsum8we7
PubMed37972591
UniProtQ13936|CAC1C_HUMAN Voltage-dependent L-type calcium channel subunit alpha-1C (Gene Name=CACNA1C)

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