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([...
View in 3D viewer
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 473 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 355 families.
1 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 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 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
4 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
5 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
6 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
7 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
8 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
9 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
10 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
11 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
12 3THK - PRO PRO PRO VAL PRO PRO TYR SER ALA GLY n/a n/a
13 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
14 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
15 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
16 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: 40
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 0.715686 0.948276
3 ARG PRO PRO LYS PRO ARG PRO ARG 0.663551 0.913793
4 LEU ASP PRO ARG 0.513514 0.870968
5 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.512397 0.901639
6 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.485075 0.863636
7 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.483333 0.885246
8 ALA PRO ASP THR ARG PRO 0.47541 0.892308
9 GLY PRO ARG PRO 0.466667 0.931035
10 THR LYS PRO ARG 0.462264 0.913793
11 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.455285 0.690141
12 ARG PRO LYS PRO LEU VAL ASP PRO 0.454545 0.870968
13 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.454545 0.75
14 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.45082 0.870968
15 PHE PRO ARG 0.45045 0.833333
16 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.443396 0.737705
17 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.442857 0.876923
18 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.441176 0.890625
19 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.440559 0.788732
20 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.440298 0.887097
21 DPN PRO ARG 0.4375 0.866667
22 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.43609 0.918033
23 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.433824 0.861538
24 ARG ARG ARG GLU ARG SER PRO THR ARG 0.431818 0.861538
25 ALA PRO ASP THR ARG PRO ALA PRO 0.429688 0.892308
26 ARG PRO PRO GLY PHE THR PRO PHE ARG 0.427184 0.913793
27 DPN PRO DAR ILE NH2 0.414634 0.796875
28 SER ALA PRO ASP THR ARG PRO ALA 0.410448 0.878788
29 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.410256 0.737705
30 GLY THR LYS PRO PRO LEU GLU GLU LEU A2G 0.409722 0.666667
31 ARG SER ALA SEP GLU PRO SER LEU 0.409722 0.767123
32 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.409639 0.828571
33 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.409091 0.870968
34 ALA PRO ASP SER ARG PRO A2G 0.408163 0.794521
35 SER PRO ARG LEU PRO LEU LEU GLU SER 0.40625 0.854839
36 LEU PRO PRO GLU GLU ARG LEU ILE 0.406015 0.888889
37 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.40411 0.835821
38 DPN PRO DAR DTH NH2 0.403226 0.8
39 MET TRP ARG PRO TRP 0.401408 0.757143
40 PRO PRO LYS LYS LYS ARG LYS VAL 0.4 0.868852
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: 26
This union binding pocket(no: 1) in the query (biounit: 4lnp.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3V4S ADP 0.02464 0.41558 None
2 3V4S ATP 0.01833 0.40657 None
3 5HCY 60D 0.04904 0.40606 None
4 2JAH NDP 0.0332 0.40546 None
5 4LHW GNP 0.02687 0.40268 None
6 5C79 PBU 0.01448 0.40482 4.91803
7 2D3N GLC 0.03386 0.40825 6.55738
8 3KPB SAM 0.01628 0.42401 8.19672
9 3W7T BMA 0.01599 0.41117 8.19672
10 1GQY ACP 0.0118 0.40879 8.19672
11 2V1O COA 0.02697 0.40398 8.19672
12 1P3D ANP 0.02001 0.40299 8.19672
13 5ML3 DL3 0.006497 0.44834 9.83607
14 4L8V NAP 0.03426 0.4036 9.83607
15 1JBW ACQ 0.04135 0.40043 9.83607
16 4XV1 904 0.03025 0.40871 13.1148
17 1F52 ADP 0.01276 0.40283 14.7541
18 1UH4 GLC GLC GLC 0.02419 0.40642 18.0328
19 2X4Z X4Z 0.02658 0.41277 19.6721
20 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 0.02186 0.40105 19.6721
21 1DL5 SAH 0.0331 0.4007 21.3115
22 2CXG GLC G6D ACI GLC 0.04798 0.40016 21.3115
23 1W78 ADP 0.003165 0.44662 22.9508
24 3NTA FAD 0.03374 0.41224 22.9508
25 1W78 PD8 0.03736 0.40892 22.9508
26 3LVW GSH 0.03569 0.40804 27.8689
Feedback