Receptor
PDB id Resolution Class Description Source Keywords
4LNP 1.41 Å NON-ENZYME: BINDING THE FIRST SH3 DOMAIN FROM CAP/PONSIN IN COMPLEX WITH PROLINE PEPTIDE FROM VINCULIN HOMO SAPIENS SH3 DOMAIN CELL MIGRATION PROLINE RICH PEPTIDE FOCAL ADHESIGNALING PROTEIN
Ref.: STRUCTURAL INVESTIGATION OF THE INTERACTION BETWEEN TANDEM SH3 DOMAINS OF C-CBL-ASSOCIATED PROTEIN AND J.STRUCT.BIOL. V. 187 194 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU B:870;
 Valid;
 none;
 Kd = 214 uM
1039.23 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LNP 1.41 Å NON-ENZYME: BINDING THE FIRST SH3 DOMAIN FROM CAP/PONSIN IN COMPLEX WITH PROLINE PEPTIDE FROM VINCULIN HOMO SAPIENS SH3 DOMAIN CELL MIGRATION PROLINE RICH PEPTIDE FOCAL ADHESIGNALING PROTEIN
Ref.: STRUCTURAL INVESTIGATION OF THE INTERACTION BETWEEN TANDEM SH3 DOMAINS OF C-CBL-ASSOCIATED PROTEIN AND J.STRUCT.BIOL. V. 187 194 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2O9V Kd = 288 uM VAL PRO PRO PRO VAL PRO PRO PRO PRO SER n/a n/a
2 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 1 1
2 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.688679 0.948276
3 ARG PRO PRO LYS PRO ARG PRO ARG 0.66055 0.913793
4 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.598131 0.901639
5 LEU ASP PRO ARG 0.544643 0.857143
6 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.511278 0.863636
7 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.491667 0.918033
8 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.483607 0.885246
9 PHE PRO ARG 0.469027 0.833333
10 ARG PRO LYS PRO LEU VAL ASP PRO 0.463415 0.870968
11 GLY PRO ARG PRO 0.462963 0.931035
12 DPN PRO ARG 0.45614 0.866667
13 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.455882 0.890625
14 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.454545 0.765625
15 ACE SER LEU ARG PRO ALA PRO LPD 0.449612 0.835821
16 ARG PRO PRO GLY PHE 0.444444 0.885246
17 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.444444 0.885246
18 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.443548 0.704225
19 THR LYS PRO ARG 0.441441 0.913793
20 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.440559 0.876923
21 SER ALA PRO ASP THR ARG PRO ALA 0.440298 0.878788
22 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.44 0.870968
23 ALA PRO ASP THR ARG PRO ALA PRO 0.434109 0.892308
24 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.431507 0.788732
25 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.430657 0.861538
26 ARG SER ALA SEP GLU PRO SER LEU 0.430556 0.767123
27 ARG ARG ARG GLU ARG SER PRO THR ARG 0.426471 0.861538
28 SER PRO LYS ARG ILE ALA 0.425197 0.830769
29 GLY MET PRO ARG GLY ALA 0.425197 0.830769
30 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.422535 0.863636
31 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.421769 0.835821
32 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.42069 0.861538
33 ARG PRO LYS ARG ILE ALA 0.416667 0.887097
34 GLU ARG THR ILE PRO ILE THR ARG GLU 0.416667 0.80597
35 MET TRP ARG PRO TRP 0.413793 0.757143
36 ACE GLN GLU ARG GLU VAL PRO CYS 0.409091 0.903226
37 ASN ARG PRO ILE LEU SER LEU 0.407407 0.797101
38 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.406452 0.833333
39 PHE ASN ARG PRO VAL 0.406015 0.818182
40 LEU PRO PRO GLU GLU ARG LEU ILE 0.404412 0.888889
41 SER HIS PRO ARG PRO ILE ARG VAL 0.40411 0.788732
42 DPN PRO DAR ILE NH2 0.401575 0.796875
43 DPN PRO DAR DTH NH2 0.401575 0.787879
44 3BY PRO LYS ARG ILE ALA 0.40146 0.876923
45 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.4 0.786885
46 ACE GLU VAL ASN PRO PRO VAL LPD 0.4 0.796875
Similar Ligands (3D)
Ligand no: 1; Ligand: VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU; 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 : 4LNP; Ligand: VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU; 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: 4lnp.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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