Structure of PDB 7uhf Chain A Binding Site BS03

Receptor Information
>7uhf Chain A (length=1230) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIVEWKPFDIFILLAIFANCVALAIYIPFPEDDSNSTNHNLEKVEYAFLI
IFTVETFLKIIYVRNGWNLLDFVIVIVGLFSVILEQLTDVKALRAFRVLR
PLRLVSGVPSLQVVLNSIIKAMVPLLHIALLVLFVIIIYAIIGLELFIGK
MHKTCFFADSDIVAEEDPAPCAFSGNGRQCTANGTECRSGWVGPNGGITN
FDNFAFAMLTVFQCITMEGWTDVLYWMNDAMGFELPWVYFVSLVIFGSFF
VLNLVLGVLSGEFSKEREKAKARGDFQKLREKQQLEEDLKGYLDWITQAE
DCRAAVKSVTFYWLVIVLVFLNTLTISSEHYNQPDWLTQIQDIANKVLLA
LFTCEMLVKMYSLGLQAYFVSLFNRFDCFVVCGGITETILVELEIMSPLG
ISVFRCVRLLRIFKVTRHWTSLSNLVASLLNSMKSIASLLLLLFLFIIIF
SLLGMQLFGGKFNFDETQTKRSTFDNFPQALLTVFQILTGEDWNAVMYDG
IMAYGGPSSSGMIVCIYFIILFICGNYILLNVFLAIAVDNLADAESLNTA
QKEEAEEKIRVGCHKLINHHIFTNLILVFIMLSSAALAAEDPIRSHSFRN
TILGYFDYAFTAIFTVEILLKMTTFGNYFNLLDMLVVGVSLVSFVVKILR
VLRVLRPLRAINRAKGLKHVVQCVFVAIRTIGNIMIVTTLLQFMFACIGV
QLFKGKFYRCTDEAKSNPEECRGLFILYKDGDVDSPVVRERIWQNSDFNF
DNVLSAMMALFTVSTFEGWPALLYKAIDSNGENIGPIYNHRVEISIFFII
YIIIVAFFMMNIFVGFVIVTFQEQGEKEYKNCELDKNQRQCVEYALKARP
LRRYIPKNPYQYKFWYVVNSSPFEYMMFVLIMLNTLCLAMQHYEQSKMFN
DAMDILNMVFTGVFTVEMVLKVIAFKPKGYFSDAWNTFDSLIVIGSIIDV
ALSESITFFRLFRVMRLVKLLSRGEGIRTLLWTFIKSFQALPYVALLIAM
LFFIYAVIGMQMFGKVAMRDNNQINRNNNFQTFPQAVLLLFRCATGEAWQ
EIMLACLPGKLCDPESDYNPGEEYTCGSNFAIVYFISFYMLCAFLIINLF
VAVIMDNFDYLTRDWSILGPHHLDEFKRIWSEYDPEAKGRIKHLDVVTLL
RRIQPPLGFGKLCPHRVACKRLVAMNMPLNSDGTVMFNATLFALVRTALK
IKTEGNLEQANEELRAVIKKIWKKTSMKLL
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7uhf Chain A Residue 2204 [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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PDB7uhf Structural basis for pore blockade of human voltage-gated calcium channel Ca v 1.3 by motion sickness drug cinnarizine.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S541 H544 N1086
Binding residue
(residue number reindexed from 1)		S327 H330 N752
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:0008331 high voltage-gated calcium channel activity
GO:0030506 ankyrin binding
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:0086059 voltage-gated calcium channel activity involved SA node cell action potential
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007605 sensory perception of sound
GO:0045762 positive regulation of adenylate cyclase activity
GO:0051928 positive regulation of calcium ion transport
GO:0055085 transmembrane transport
GO:0060372 regulation of atrial cardiac muscle cell membrane repolarization
GO:0070509 calcium ion import
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:0086046 membrane depolarization during SA node cell action potential
GO:0086091 regulation of heart rate by cardiac conduction
GO:0098703 calcium ion import across plasma membrane
GO:1901016 regulation of potassium ion transmembrane transporter activity
GO:1901379 regulation of potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0005891 voltage-gated calcium channel complex
GO:0016020 membrane
GO:0030018 Z disc
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:7uhf, PDBe:7uhf, PDBj:7uhf
PDBsum7uhf
PubMed35477996
UniProtQ01668|CAC1D_HUMAN Voltage-dependent L-type calcium channel subunit alpha-1D (Gene Name=CACNA1D)

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