Structure of PDB 8e57 Chain F Binding Site BS01

Receptor Information
>8e57 Chain F (length=973) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPSAVTIKSWVDKMQEDLVTLAKTASGVHQLVDIYEKYQDLYTVEPNNAR
QLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYN
AKDDLDPEKNDSEPGSQRIKPVFIDDANFRRQVSYQHAAVHIPTDIYEGS
TIVLNELNWTSALDDVFKKNREEDPSLLWQVFGSATGLARYYPASPWVDN
SRTPNKIDLYDVRRRPWYIQGAASPKDMLILVDVSGSVSGLTLKLIRTSV
SEMLETLSDDDFVNVASFNSNAQDVSCFQHLVQANVRNKKVLKDAVNNIT
AKGITDYKKGFSFAFEQLLNYNVSRANCNKIIMLFTDGGEERAQEIFAKY
NKDKKVRVFTFSVGQHNYDRGPIQWMACENKGYYYEIPSIGAIRINTQEY
LDVLGRPMVLAGDKAKQVQWTNVYLDALELGLVITGTLPVFNITGQFENK
TNLKNQLILGVMGVDVSLEDIKRLTPRFTLCPNGYYFAIDPNGYVLLHPN
LQPKPIGVGIPTINLRKRRPNVQNPKSQEPVTLDFLDAELENDIKVEIRN
KMIDGESGEKTFRTLVKSQDERYIDKGNRTYTWTPVNGTDYSLALVLPTY
SFYYIKAKIEETITQARYSETLKPDNFEESGYTFLAPRDYCSDLKPSDNN
TEFLLNFNEFIDRKTPNNPSCNTDLINRVLLDAGFTNELVQNYWSKQKNI
KGVKARFVVTDGGITRVYPKEAGENWQENPETYEDSFYKRSLDNDNYVFT
APYFNKSGPGAYESGIMVSKAVEIYIQGKLLKPAVVGIKIDVNSWIENFT
KDCKRNSDVMDCVILDDGGFLLMANHDDYTNQIGRFFGEIDPSLMRHLVN
ISVYAFNKSYDYQSVCEPGAASKQSCITEQTQYFFDNDSKSFSGVLDCGN
CSRIFHVEKLMNTNLIFIMVESKGTCPCDTRLLIQAEQTSDGPDPCDMVK
QPRYRKGPDVCFDNNVLEDYTDC
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 chain8e57 Chain F 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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PDB8e57 Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S263 S265 T333
Binding residue
(residue number reindexed from 1)		S235 S237 T305
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8e57, PDBe:8e57, PDBj:8e57
PDBsum8e57
PubMed36417914
UniProtP13806|CA2D1_RABIT Voltage-dependent calcium channel subunit alpha-2/delta-1 (Gene Name=CACNA2D1)

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