Structure of PDB 8x91 Chain B Binding Site BS01

Receptor Information
>8x91 Chain B (length=964) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFPSAVTIKSWVDKMQEDLVTLAKTASGVNQLVDIYEKYQDLYTVEPNNA
RQLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYY
NAKDDLDPEKEPGSQRIKPVFIEDANFGRQISYQHAAVHIPTDIYEGSTI
VLNELNWTSALDEVFKKNREEDPSLLWQVFGSATGLARYYPASPWVDNKI
DLYDVRRRPWYIQGAASPKDMLILVDVSGSVSGLTLKLIRTSVSEMLETL
SDDDFVNVASFNSNAQDVSCFQHLVQANVRNKKVLKDAVNNITAKGITDY
KKGFSFAFEQLLNYNVSRANCNKIIMLFTDGGEERAQEIFNKYNKDKKVR
VFTFSVGQHNYDRGPIQWMACENKGYYYEIPSIGAIRINTQEYLDVLGRP
MVLAGDKAKQVQWTNVYLDALELGLVITGTLPVFNITGQFENKTNLKNQL
ILGVMGVDVSLEDIKRLTPRFTLCPNGYYFAIDPNGYVLLHPNLQPKPIG
VGIPTINSQEPVTLDFLDAELENDIKVEIRNKMIDGESGEKTFRTLVKSQ
DERYIDKGNRTYTWTPVNGTDYSLALVLPTYSFYYIKAKLEETITQARYS
ETLKPDNFEESGYTFIAPRDYCNDLKISDNNTEFLLNFNEFIDRKTPNNP
SCNADLINRVLLDAGFTNELVQNYWSKQKNIKGVKARFVVTDGGITRVYP
KEAGENWQENPETYEDSFYKRSLDNDNYVFTAPYFNKSGPGAYESGIMVS
KAVEIYIQGKLLKPAVVGIKIDVNSWIENFTKTSIRDPCAGPVCDCKRNS
DVMDCVILDDGGFLLMANHDDYTNQIGRFFGEIDPSLMRHLVNISVYAFN
KSYDYQSVCEPCITEQTQYFFDNDSKSFSGVLDCGNCSRIFHGEKLMNTN
LIFIMVESKGTCPCDTRLLIQAEQTSDGPNPCDMVKQPRYRKGPDVCFDN
NVLEDYTDCGGVSG
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 chain8x91 Chain B Residue 1202 [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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PDB8x91 Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		S261 S263 T331
Binding residue
(residue number reindexed from 1)		S228 S230 T298
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8x91, PDBe:8x91, PDBj:8x91
PDBsum8x91
PubMed38443561
UniProtP54289|CA2D1_HUMAN Voltage-dependent calcium channel subunit alpha-2/delta-1 (Gene Name=CACNA2D1)

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