-->
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 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: 59
This union binding pocket(no: 1) in the query (biounit: 4lnp.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1M5B BN1 None
2 3V4S ADP None
3 5MT9 SRO None
4 3V4S ATP None
5 3F5A SIA GAL NAG None
6 2JAH NDP None
7 5MT9 ARG None
8 4LHW GNP None
9 2JAP NDP None
10 1QK3 5GP None
11 5H4J FKM None
12 2BNE U5P None
13 4GC1 MAN MAN 3.27869
14 3WV1 WHH 3.27869
15 6CGN DA 4.91803
16 1Y2F WAI 4.91803
17 5C79 PBU 4.91803
18 5FVJ ACO 4.91803
19 6EGU 43Y 4.91803
20 4U03 GTP 6.55738
21 4U03 TLL 6.55738
22 4XJ6 GH3 6.55738
23 5VLQ ANP 6.55738
24 6F97 FAD 6.55738
25 2D3N GLC 6.55738
26 3KPB SAM 8.19672
27 3K87 FAD 8.19672
28 2IRY DGT 8.19672
29 1GQY ACP 8.19672
30 2V1O COA 8.19672
31 1P3D ANP 8.19672
32 5ML3 DL3 9.83607
33 2GJP BGC GLC DAF GLC GLC GLC DAF 9.83607
34 4L8V NAP 9.83607
35 4NFE BEN 9.83607
36 1JBW ACQ 9.83607
37 3MAG 3MA 11.4754
38 5BVE 4VG 13.1148
39 1KJ8 ATP 14.7541
40 5CCO UMP 14.7541
41 1F52 ADP 14.7541
42 4GV8 DUP 14.7541
43 5F7U GLC GLC 16.3934
44 5N5U AMP 16.3934
45 3K5I ADP 18.0328
46 1UH4 GLC GLC GLC 18.0328
47 3K5I AIR 18.0328
48 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 19.6721
49 5IH9 6BF 21.3115
50 1DL5 SAH 21.3115
51 2CXG GLC G6D ACI GLC 21.3115
52 1W78 ADP 22.9508
53 3NTA FAD 22.9508
54 1W78 PD8 22.9508
55 4YRY FAD 22.9508
56 3LVW GSH 27.8689
57 3ZXR P3S 32.7869
58 3ZXR IQ1 32.7869
59 3VSV XYP 39.3443
APoc FAQ
Feedback