Structure of PDB 7kbj Chain D Binding Site BS01

Receptor Information
>7kbj Chain D (length=84) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKPFTCLDGTATIPFDQVNDDYCDCKDGSDEPGTAACPNGSFHCTNTGYK
PLYILSSRVNDGVCDCCDGTDEYNSGTVCENTCR
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 chain7kbj Chain D Residue 1404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kbj N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		Q50 D53 Y55 D57 D63 E64
Binding residue
(residue number reindexed from 1)		Q17 D20 Y22 D24 D30 E31
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7kbj, PDBe:7kbj, PDBj:7kbj
PDBsum7kbj
PubMed34870992
UniProtO08795|GLU2B_MOUSE Glucosidase 2 subunit beta (Gene Name=Prkcsh)

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