Structure of PDB 4zt1 Chain A Binding Site BS02

Receptor Information
>4zt1 Chain A (length=209) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPISCPENEKGPFPKNLVQIKSNKDKEGKVFYSITGQGADTPPVGVFIIE
RETGWLKVTEPLDRERIATYTLFSHAVSSNGNAVEDPMEILITVTDQNDN
KPEFTQEVFKGSVMEGALPGTSVMEVTATDADDDVNTYNAAIAYTILSQD
PELPDKNMFTINRNTGVISVVTTGLDRESFPTYTLVVQAADLQGEGLSTT
ATAVITVTD
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 chain4zt1 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zt1 Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		E11 E69 D100 Q101 D103 D136
Binding residue
(residue number reindexed from 1)		E7 E65 D96 Q97 D99 D132
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:4zt1, PDBe:4zt1, PDBj:4zt1
PDBsum4zt1
PubMed27120112
UniProtP12830|CADH1_HUMAN Cadherin-1 (Gene Name=CDH1)

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