Structure of PDB 7kbj Chain D Binding Site BS02

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 1405 [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)		R91 D94 V96 D98 D104 E105
Binding residue
(residue number reindexed from 1)		R58 D61 V63 D65 D71 E72
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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