Structure of PDB 8s03 Chain A Binding Site BS01

Receptor Information
>8s03 Chain A (length=100) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPCVPLCNWTGWLDSGKPNFHKPGGDTELIGDVCGPGWAANISCRATMYP
DVPIGQLGQTVVCDVSVGLICKNEDQKPGGVIPMAFCLNYEINVQCCECV
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 chain8s03 Chain A Residue 1901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8s03 The second CysD domain of MUC2 and role in mucin organization by transglutaminase-based cross-linking
ResolutionN/A
Binding residue
(original residue number in PDB)		D1793 G1795 D1805 E1807 N1868 Y1869
Binding residue
(residue number reindexed from 1)		D14 G16 D26 E28 N89 Y90
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8s03, PDBe:8s03, PDBj:8s03
PDBsum8s03
PubMed38733585
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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