Structure of PDB 5ub5 Chain B Binding Site BS01

Receptor Information
>5ub5 Chain B (length=40) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVNECVTNPCQNDATCLDQIGEFQCICMPGYEGVHCEVNT
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 chain5ub5 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ub5 Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Resolution2.089 Å
Binding residue
(original residue number in PDB)
D452 V453 E455 D469 Q470 G472 E473
Binding residue
(residue number reindexed from 1)
D1 V2 E4 D18 Q19 G21 E22
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:5ub5, PDBe:5ub5, PDBj:5ub5
PDBsum5ub5
PubMed28775322
UniProtP46531|NOTC1_HUMAN Neurogenic locus notch homolog protein 1 (Gene Name=NOTCH1)

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