Structure of PDB 7cmf Chain A Binding Site BS03

Receptor Information
>7cmf Chain A (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WVVAPISVPENGKGPFPQRLNQLKSNKDRDTKIFYSITGPGADSPPEGVF
AVEKETGWLLLNKPLDREEIAKYELFGHAVSENGASVEDPMNISIIVTDQ
NDHKPKFTQDTFRGSVLEGVLPGTSVMQVTATDEDDAIYTYNGVVAYSIH
SQEPKDPHDLMFTIHRSTGTISVISSGLDREKVPEYTLTIQATDMDGDGS
TTTAVAVVEILD
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 chain7cmf Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cmf Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E11 N12 D67 E69 D103
Binding residue
(residue number reindexed from 1)		E10 N11 D66 E68 D102
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Biological Process
GO:0007156 homophilic cell adhesion via plasma membrane adhesion molecules
GO:0098609 cell-cell adhesion
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7cmf, PDBe:7cmf, PDBj:7cmf
PDBsum7cmf
PubMed
UniProtP22223|CADH3_HUMAN Cadherin-3 (Gene Name=CDH3)

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