Structure of PDB 2o72 Chain A Binding Site BS05

Receptor Information
>2o72 Chain A (length=213) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWVIPPISSPENEKGPFPKNLVQIKSNKDKEGKVFYSITGQGADTPPVGV
FIIERETGWLKVTEPLDRERIATYTLFSHAVSSNGNAVEDPMEILITVTD
QNDNKPEFTQEVFKGSVMEGALPGTSVMEVTATDADDDVNTYNAAIAYTI
LSQDPELPDKNMFTINRNTGVISVVTTGLDRESFPTYTLVVQAADLQGEG
LSTTATAVITVTD
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 chain2o72 Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2o72 The Crystal Structure of Human E-cadherin Domains 1 and 2, and Comparison with other Cadherins in the Context of Adhesion Mechanism
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E119 E182 D213
Binding residue
(residue number reindexed from 1)		E119 E182 D213
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2o72, PDBe:2o72, PDBj:2o72
PDBsum2o72
PubMed17850815
UniProtP12830|CADH1_HUMAN Cadherin-1 (Gene Name=CDH1)

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