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 510 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 391 families.
1 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2O9V Kd = 288 uM VAL PRO PRO PRO VAL PRO PRO PRO PRO SER n/a n/a
2 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
3 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
4 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
5 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
6 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
7 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
9 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
10 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
11 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
12 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
13 4HXJ Kd = 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU; Similar ligands found: 49
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 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.598131 0.901639
4 LEU ASP PRO ARG 0.544643 0.857143
5 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.511278 0.863636
6 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.491667 0.918033
7 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.483607 0.885246
8 THR LYS PRO ARG 0.481481 0.913793
9 ALA PRO ASP THR ARG PRO 0.479675 0.892308
10 ACE PRO ARG ASN 0.474747 0.881356
11 ACE PRO ARG TYR 0.474747 0.881356
12 PHE PRO ARG 0.469027 0.833333
13 ALA PRO ASP THR ARG PRO ALA PRO 0.464567 0.892308
14 ARG PRO LYS PRO LEU VAL ASP PRO 0.463415 0.870968
15 GLY PRO ARG PRO 0.462963 0.931035
16 ARG ARG ARG GLU ARG SER PRO THR ARG 0.458647 0.861538
17 DPN PRO ARG 0.45614 0.866667
18 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.455882 0.890625
19 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.454545 0.765625
20 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.449275 0.861538
21 ARG PRO PRO GLY PHE THR PRO PHE ARG 0.446602 0.913793
22 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.446602 0.913793
23 ARG PRO PRO GLY PHE 0.444444 0.885246
24 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.443548 0.704225
25 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.440559 0.876923
26 SER ALA PRO ASP THR ARG PRO ALA 0.440298 0.878788
27 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.44 0.870968
28 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.431507 0.788732
29 GLY MET PRO ARG GLY ALA 0.429688 0.861538
30 SER PRO LYS ARG ILE ALA 0.425197 0.830769
31 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.422535 0.863636
32 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.421769 0.835821
33 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.42069 0.861538
34 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.420118 0.828571
35 ARG PRO LYS ARG ILE ALA 0.416667 0.887097
36 GLU ARG THR ILE PRO ILE THR ARG GLU 0.416667 0.80597
37 CYS THR PRO SER ARG 0.416 0.818182
38 MET TRP ARG PRO TRP 0.413793 0.757143
39 SER PRO ARG LEU PRO LEU LEU GLU SER 0.410853 0.854839
40 ALA PRO ASP SER ARG PRO A2G 0.409396 0.794521
41 ACE GLN GLU ARG GLU VAL PRO CYS 0.409091 0.903226
42 ASN ARG PRO ILE LEU SER LEU 0.407407 0.797101
43 PHE ASN ARG PRO VAL 0.406015 0.818182
44 LEU PRO PRO GLU GLU ARG LEU ILE 0.404412 0.888889
45 SER HIS PRO ARG PRO ILE ARG VAL 0.40411 0.788732
46 DPN PRO DAR DTH NH2 0.401575 0.787879
47 DPN PRO DAR ILE NH2 0.401575 0.796875
48 3BY PRO LYS ARG ILE ALA 0.40146 0.876923
49 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.4 0.786885
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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