Structure of PDB 7cme Chain A Binding Site BS04

Receptor Information
>7cme Chain A (length=214) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDWVVAPISVPENGKGPFPQRLNQLKSNKDRDTKIFYSITGPGADSPPEG
VFAVEKETGWLLLNKPLDREEIAKYELFGHAVSENGASVEDPMNISIIVT
DQNDHKPKFTQDTFRGSVLEGVLPGTSVMQVTATDEDDAIYTYNGVVAYS
IHSQEPKDPHDLMFTIHRSTGTISVISSGLDREKVPEYTLTIQATDMDGD
GSTTTAVAVVEILD
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 chain7cme Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cme Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Resolution2.45 Å
Binding residue
(original residue number in PDB)		E11 E69 D100 Q101 D103 D136
Binding residue
(residue number reindexed from 1)		E12 E70 D101 Q102 D104 D137
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:7cme, PDBe:7cme, PDBj:7cme
PDBsum7cme
PubMed
UniProtP22223|CADH3_HUMAN Cadherin-3 (Gene Name=CDH3)

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