Structure of PDB 2o72 Chain A Binding Site BS01

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 401 [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)		N102 N104 D134 D136 N143 D195
Binding residue
(residue number reindexed from 1)		N102 N104 D134 D136 N143 D195
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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