Structure of PDB 8bad Chain A Binding Site BS01

Receptor Information
>8bad Chain A (length=350) Species: 1428 (Bacillus thuringiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTFKVGMKYMFKNKNSRKYLDISGNQTGNNANVQQYEYLADAPSERFFLH
PLDNNYYAMINLNSGKVIDISGNQTSNNANIQQYEWLGDAPSEYWYFHRE
ADGHYVIESKHSGKVLDIEGNQTGNNANVQQYEYLADAPSERFAVEEAGS
VSLPSINTQPLSPVPQYETINDQLPEETERVVTAFTIVPAISVKDPHYGG
DTAKQIKENPYYMVVKKQWWKKQESYVLAPSERYDFVTTTGIRVTDQETA
TKTVSWSIGADMGFSFKGFSMGMSSQYSQELQTSISHTTEQLKEETQEHH
VTNPFLERMAYSRYILVTEYYVQRKNGTIVNAPWTMTDKTNAHAVTFPKS
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 chain8bad Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bad The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		N36 V37 N84 I85 N132 V133
Binding residue
(residue number reindexed from 1)		N32 V33 N80 I81 N128 V129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0035821 modulation of process of another organism

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Molecular Function
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Biological Process
External links
PDB RCSB:8bad, PDBe:8bad, PDBj:8bad
PDBsum8bad
PubMed36548760
UniProtA0A4V1G8Q1

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