Structure of PDB 7uhf Chain A Binding Site BS01

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 IDN90
InChIInChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
InChIKeyDERZBLKQOCDDDZ-JLHYYAGUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc4
CACTVS 3.385C1CN(CCN1C/C=C/c2ccccc2)C(c3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4
ACDLabs 12.01c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1
FormulaC26 H28 N2
Name1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine;
Cinnarizine
ChEMBLCHEMBL43064
DrugBankDB00568
ZINCZINC000019632891
PDB chain7uhf Chain A Residue 2201 [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)		T703 N740 L743 A1140 M1144 T1404
Binding residue
(residue number reindexed from 1)		T489 N526 L529 A806 M810 T1045
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
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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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