Receptor
PDB id Resolution Class Description Source Keywords
2OEI 1.35 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN FE65-WW DOMAIN IN COMPLEX WITH HU PEPTIDE HOMO SAPIENS WW DOMAIN FE65 HUMAN MENA PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR POLYPROLINE RECOGNITION BY THE DOMAIN. J.MOL.BIOL. V. 372 970 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO PRO PRO PRO PRO LEU PRO PRO B:1;
 Valid;
 none;
 Kd = 124 uM
893.12 n/a O=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HO2 1.33 Å NON-ENZYME: BINDING STRUCTURE OF HUMAN FE65-WW DOMAIN IN COMPLEX WITH HMENA PEPT HOMO SAPIENS WW DOMAIN BETA SHEET FE65 PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR POLYPROLINE RECOGNITION BY THE DOMAIN. J.MOL.BIOL. V. 372 970 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
3 4GWT - LMR C4 H6 O5 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO PRO PRO PRO PRO PRO LEU PRO PRO; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO PRO PRO PRO PRO LEU PRO PRO 1 1
2 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.747126 0.960784
3 PRO PRO PRO PRO PRO PRO PRO PRO 0.653846 0.882353
4 PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.653846 0.882353
5 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.625 1
6 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.561404 0.980769
7 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.537736 0.925926
8 MET PRO PRO PRO PRO SEP PRO CYS THR 0.523364 0.734375
9 MET PRO PRO PRO PRO TPO PRO ARG SER 0.504673 0.774194
10 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.504425 0.862069
11 ALA PRO PRO ALA 0.481928 0.826923
12 ACE PHE PRO PRO PRO PRO THR 0.480392 0.796296
13 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.46087 0.78125
14 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.46087 0.827586
15 PRO PRO PRO MET ALA GLY GLY 0.456897 0.833333
16 PRO GLY PRO LEU PRO ALA 0.45283 0.927273
17 PRO PRO GLY PRO ALA GLY PRO PRO GLY 0.421053 0.857143
18 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.419048 0.892857
19 PRO PRO GLY PRO PRO GLY PRO PRO GLY 0.415842 0.87037
20 LEU PRO PRO GLU GLU ARG LEU ILE 0.40625 0.806452
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO PRO PRO PRO PRO PRO LEU PRO PRO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HO2; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2ho2.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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