Structure of PDB 8bw6 Chain A Binding Site BS01

Receptor Information
>8bw6 Chain A (length=99) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMEPSAPKELKFGDITKDSVHLTWEPPDDDGGSPLTGYVVEKREVSRKT
WTKVMDFVTDLEFTVPDLVQGKEYLFKVCARNKCGPGEPAYVDEPVNMS
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 chain8bw6 Chain A Residue 105 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bw6 Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D60 E62
Binding residue
(residue number reindexed from 1)		D60 E62
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
External links
PDB RCSB:8bw6, PDBe:8bw6, PDBj:8bw6
PDBsum8bw6
PubMed36830985
UniProtQ8WZ42|TITIN_HUMAN Titin (Gene Name=TTN)

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