Structure of PDB 8ck2 Chain A Binding Site BS02

Receptor Information
>8ck2 Chain A (length=95) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALCCLWSDWINEDHPSSGSDDGDRETFDGVCGAPEDIECRSVKDPHLSLE
QLSQKVQCDVSVGFICKNEDQFGNGPFGLCYDYKIRVNCCWPMDC
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 chain8ck2 Chain A Residue 1404 [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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PDB8ck2 Pulmonary Fibrosis Mutation Undermines Mucin 5B Supramolecular Assembly
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D1312 H1313 P1314 S1316 D1319 G1321
Binding residue
(residue number reindexed from 1)		D13 H14 P15 S17 D20 G22
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ck2, PDBe:8ck2, PDBj:8ck2
PDBsum8ck2
PubMed
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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