Structure of PDB 7uhg Chain A Binding Site BS02

Receptor Information
>7uhg 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 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 chain7uhg Chain A Residue 2202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7uhg Structural basis for pore blockade of human voltage-gated calcium channel Ca v 1.3 by motion sickness drug cinnarizine.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S541 N1086 L1088
Binding residue
(residue number reindexed from 1)		S327 N752 L754
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7uhg, PDBe:7uhg, PDBj:7uhg
PDBsum7uhg
PubMed35477996
UniProtQ01668|CAC1D_HUMAN Voltage-dependent L-type calcium channel subunit alpha-1D (Gene Name=CACNA1D)

[Back to BioLiP]