PDBsum entry 4zte

Cell adhesion

PDB id: 4zte

Contents

Protein chains

210 a.a.

Ligands

4RL ×2

Metals

_CA ×6

Waters ×229

PDB id:

4zte

Name:

Cell adhesion

Title:

Crystal structure of human e-cadherin (residues 3-213) in complex with a peptidomimetic inhibitor

Structure:

Cadherin-1. Chain: a, b. Fragment: residues 157-367. Synonym: cam 120/80,epithelial cadherin,e-cadherin,uvomorulin. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: cdh1, cdhe, uvo. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Expression_system_variant: plyss.

Resolution:

2.13Å R-factor: 0.187 R-free: 0.230

Authors:

V.Nardone,A.P.Lucarelli,A.Dalle Vedove,E.Parisini

Key ref:

V.Nardone et al. (2016). Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction. J Med Chem, 59, 5089-5094. PubMed id: 27120112 DOI: 10.1021/acs.jmedchem.5b01487

Date:

14-May-15 Release date: 01-Jun-16

Protein chains

P12830  (CADH1_HUMAN) -  Cadherin-1 from Homo sapiens

Seq: 882 a.a.

Struc: 210 a.a.

DOI no: 10.1021/acs.jmedchem.5b01487

J Med Chem 59:5089-5094 (2016)

PubMed id: 27120112

Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.

V.Nardone, A.P.Lucarelli, A.Dalle Vedove, R.Fanelli, A.Tomassetti, L.Belvisi, M.Civera, E.Parisini.

ABSTRACT

Cadherins are transmembrane cell adhesion proteins whose aberrant expression often correlates with cancer development and proliferation. We report the crystal structure of an E-cadherin extracellular fragment in complex with a peptidomimetic compound that was previously shown to partially inhibit cadherin homophilic adhesion. The structure reveals an unexpected binding mode and allows the identification of a druggable cadherin interface, thus paving the way to a future structure-guided design of cell adhesion inhibitors against cadherin-expressing solid tumors.