Receptor
PDB id Resolution Class Description Source Keywords
4ZTE 2.13 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN E-CADHERIN (RESIDUES 3-213) IN CO A PEPTIDOMIMETIC INHIBITOR HOMO SAPIENS ADHESION CADHERIN CALCIUM-BINDING PROTEIN X-DIMER INHIBIPEPTIDOMIMETIC CELL ADHESION
Ref.: CRYSTAL STRUCTURE OF HUMAN E-CADHERIN-EC1EC2 IN COM A PEPTIDOMIMETIC COMPETITIVE INHIBITOR OF CADHERIN HOMOPHILIC INTERACTION. J.MED.CHEM. V. 59 5089 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
B:401;
A:403;
B:403;
A:401;
A:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
4RL A:404;
B:404;
Valid;
Valid;
none;
none;
submit data
574.669 C28 H42 N6 O7 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZTE 2.13 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN E-CADHERIN (RESIDUES 3-213) IN CO A PEPTIDOMIMETIC INHIBITOR HOMO SAPIENS ADHESION CADHERIN CALCIUM-BINDING PROTEIN X-DIMER INHIBIPEPTIDOMIMETIC CELL ADHESION
Ref.: CRYSTAL STRUCTURE OF HUMAN E-CADHERIN-EC1EC2 IN COM A PEPTIDOMIMETIC COMPETITIVE INHIBITOR OF CADHERIN HOMOPHILIC INTERACTION. J.MED.CHEM. V. 59 5089 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4ZTE - 4RL C28 H42 N6 O7 CC[C@H](C)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4ZTE - 4RL C28 H42 N6 O7 CC[C@H](C)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4ZTE - 4RL C28 H42 N6 O7 CC[C@H](C)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4RL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4RL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZTE; Ligand: 4RL; Similar sites found: 26
This union binding pocket(no: 1) in the query (biounit: 4zte.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GMN IDS SGN IDS SGN IDS 0.01223 0.42002 None
2 1XT8 CYS 0.001847 0.46101 2.36967
3 1MJT ITU 0.007255 0.41314 2.36967
4 4A91 GLU 0.008127 0.41033 2.36967
5 1CT9 GLN 0.02111 0.40008 2.36967
6 1ZX5 LFR 0.00142 0.4572 2.8436
7 1HSL HIS 0.01382 0.41644 3.79147
8 2YJP CYS 0.001708 0.46357 4.2654
9 4ISK UMP 0.01475 0.40784 4.2654
10 1JG0 UMP 0.01878 0.40737 4.2654
11 5DT6 GLU 0.02416 0.40321 4.2654
12 3WG3 A2G GAL NAG FUC 0.01626 0.40574 4.49438
13 4C2C ALA ALA ALA 0.01209 0.41438 5.21327
14 2RC8 DSN 0.004213 0.44414 5.44218
15 2PYY GLU 0.002517 0.44592 6.16114
16 1Z0N BCD 0.007279 0.43669 6.25
17 4YEF 4CQ 0.008757 0.4343 6.74157
18 1XK5 TPG 0.02478 0.40372 6.86275
19 3BP1 GUN 0.01293 0.4141 7.109
20 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.01834 0.40939 7.58294
21 3G6N MET ALA SER 0.01745 0.40855 7.8534
22 2RCU BUJ 0.01957 0.41488 8.53081
23 2W5P CL8 0.0168 0.41307 8.72483
24 1PVC ILE SER GLU VAL 0.000317 0.49199 12.3223
25 2WZ5 MET 0.004612 0.4463 12.7962
26 2BVE PH5 0.02547 0.40354 19.3277
Pocket No.: 2; Query (leader) PDB : 4ZTE; Ligand: 4RL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4zte.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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