Structure of PDB 7kbr Chain B Binding Site BS01

Receptor Information
>7kbr Chain B (length=83) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPFTCLDGTATIPFDQVNDDYCDCKDGSDEPGTAACPNGSFHCTNTGYKP
LYILSSRVNDGVCDCCDGTDEYNSGTVCENTCR
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 chain7kbr Chain B Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kbr N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		R91 D94 V96 D98 D104 E105
Binding residue
(residue number reindexed from 1)		R57 D60 V62 D64 D70 E71
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7kbr, PDBe:7kbr, PDBj:7kbr
PDBsum7kbr
PubMed34870992
UniProtO08795|GLU2B_MOUSE Glucosidase 2 subunit beta (Gene Name=Prkcsh)

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