Structure of PDB 8we9 Chain D Binding Site BS01

Receptor Information
>8we9 Chain D (length=948) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPSAVTIKSWVDKMQEDLVTLAKTASGVNQLVDIYEKYQDLYTVEPNNAR
QLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYN
AKDDEPGSQRIKPVFIEDANFGRQISYQHAAVHIPTDIYEGSTIVLNELN
WTSALDEVFKKNREEDPSLLWQVFGSATGLARYYPASPWVKIDLYDVRRR
PWYIQGAASPKDMLILVDVSGSVSGLTLKLIRTSVSEMLETLSDDDFVNV
ASFNSNAQDVSCFQHLVQANVRNKKVLKDAVNNITAKGITDYKKGFSFAF
EQLLNYNVSRANCNKIIMLFTDGGEERAQEIFNKYNKDKKVRVFTFSVGQ
HNYDRGPIQWMACENKGYYYEIPSIGAIRINTQEYLDVLGRPMVLAGDKA
KQVQWTNVYLDALELGLVITGTLPVFNITGQFENKTNLKNQLILGVMGVD
VSLEDIKRLTPRFTLCPNGYYFAIDPNGYVLLHPNLQPKPIGVGIPTINS
QEPVTLDFLDAELENDIKVEIRNKMIDGESGEKTFRTLVKSQDERYIDKG
NRTYTWTPVNGTDYSLALVLPTYSFYYIKAKLEETITQARYSETLKPDNF
EESGYTFIAPRDYCNDLKISDNNTEFLLNFNEFIDRKTPNNPSCNADLIN
RVLLDAGFTNELVQNYWSKQKNIKGVKARFVVTDGGITRVYPKEAGENWQ
ENPETYEDSFYKRSLDNDNYVFTAPYFNKSGPGAYESGIMVSKAVEIYIQ
GKLLKPAVVGIKIDVNSWIENFTKRNSDVMDCVILDDGGFLLMANHDDYT
NQIGRFFGEIDPSLMRHLVNISVYAFNKSYDYQSVCEPGAASKQSCITEQ
TQYFFDNDSKSFSGVLDCGNCSRIFHGEKLMNTNLIFIMVESKGTCPCDT
RLLIQAEQTSDGPNPCDMVKQPRYRKGPDVCFDNNVLEDYTDCGGVSG
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 chain8we9 Chain D Residue 1201 [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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PDB8we9 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S261 S263 T331
Binding residue
(residue number reindexed from 1)		S220 S222 T290
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8we9, PDBe:8we9, PDBj:8we9
PDBsum8we9
PubMed37972591
UniProtP54289|CA2D1_HUMAN Voltage-dependent calcium channel subunit alpha-2/delta-1 (Gene Name=CACNA2D1)

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