Structure of PDB 7vfs Chain B Binding Site BS01

Receptor Information
>7vfs Chain B (length=955) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPSAVTIKSWVDKMQEDLVTLAKTASGVNQLVDIYEKYQDLYTVEPNNAR
QLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYN
AKDDLDPEKNDSEPGSQRIKPVFIEDANFGRQISYQHAAVHIPTDIYEGS
TIVLNELNWTSALDEVFKKNREEDPSLLWQVFGSATGLARYYPASPWVDN
SRTPNKIDLYDVRRRPWYIQGAASPKDMLILVDVSGSVSGLTLKLIRTSV
SEMLETLSDDDFVNVASFNSNAQDVSCFQHLVQANVRNKKVLKDAVNNIT
AKGITDYKKGFSFAFEQLLNYNVSRANCNKIIMLFTDGGEERAQEIFNKY
NKDKKVRVFTFSVGQHNYDRGPIQWMACENKGYYYEIPSIGAIRINTQEY
LDVLGRPMVLAGDKAKQVQWTNVYLDALELGLVITGTLPVFNITGQFENK
TNLKNQLILGVMGVDVSLEDIKRLTPRFTLCPNGYYFAIDPNGYVLLHPN
LQPKPIGVGIPTQEPVTLDFLDAELENDIKVEIRNKMIDGESGEKTFRTL
VKSQDERYIDKGNRTYTWTPVNGTDYSLALVLPTYSFYYIKAKLEETITQ
ARYSETLKPDNFEESGYTFIAPRDYCNDLKISDNNTEFLLNFNEFIDRKT
PNNPSCNADLINRVLLDAGFTNELVQNYWSKQKNIKGVKARFVVTDGGIT
RVYPKEAGENWQENPETYEDSFYKRSLDNDNYVFTAPYFNKSGPGAYESG
IMVSKAVEIYIQGKLLKPAVVGIKIDVNSWIENFTKTSIRMDCVILDDGG
FLLMANHDDYTNQIGRFFGEIDPSLMRHLVNISVYAFNKSYDYQSVCEPG
AASKQSCITEQTQYFFDNDSKSFSGVLDCGNCSRIFHGEKLMNTNLIFIM
VESKGTCPCDTRLLIQAEQTSDGPNPCDMVKQPRYRKGPDVCFDNNVLED
YTDCG
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 chain7vfs Chain B 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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PDB7vfs Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S261 S263 T331
Binding residue
(residue number reindexed from 1)		S235 S237 T305
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7vfs, PDBe:7vfs, PDBj:7vfs
PDBsum7vfs
PubMed34731621
UniProtP54289|CA2D1_HUMAN Voltage-dependent calcium channel subunit alpha-2/delta-1 (Gene Name=CACNA2D1)

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