Structure of PDB 3qrb Chain A Binding Site BS02

Receptor Information
>3qrb Chain A (length=213) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWVIAAISCPENEKGEFPKNLVQIKSNRDKETKVFYSITGQGADKPPVGV
FIIERETGWLKVTQPLDREAIAKYILYSHAVSSNGEAVEDPMEIVITVTD
QNDNRPEFTQEVFEGSVAEGAVPGTSVMKVSATDADDDVNTYNAAIAYTI
VSQDPELPHKNMFTVNRDTGVISVLTSGLDRESYPTYTLVVQAADLQGEG
LSTTAKAVITVKD
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 chain3qrb Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qrb Molecular design principles underlying beta-strand swapping in the adhesive dimerization of cadherins.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E11 E69 D100 Q101 D103 D136
Binding residue
(residue number reindexed from 1)		E11 E69 D100 Q101 D103 D136
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Biological Process
GO:0007155 cell adhesion
GO:0007156 homophilic cell adhesion via plasma membrane adhesion molecules
GO:0098609 cell-cell adhesion
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:3qrb, PDBe:3qrb, PDBj:3qrb
PDBsum3qrb
PubMed21572446
UniProtP09803|CADH1_MOUSE Cadherin-1 (Gene Name=Cdh1)

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