Receptor
PDB id Resolution Class Description Source Keywords
1CKB 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE- CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 D OMAIN OF C-CRK MUS MUSCULUS COMPLEX (ONCOGENE PROTEIN/PEPTIDE)
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE-CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 DOMAIN OF C-CRK. STRUCTURE V. 3 215 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG B:1;
Valid;
none;
Kd = 5.2 uM
801.027 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CKA 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE- CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 D OMAIN OF C-CRK MUS MUSCULUS COMPLEX (ONCOGENE PROTEIN/PEPTIDE)
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE-CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 DOMAIN OF C-CRK. STRUCTURE V. 3 215 1995
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
2 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 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 222 families.
1 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
2 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 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: PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 1 1
2 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.637255 0.789474
3 PRO PRO LYS LYS LYS ARG LYS VAL 0.598214 0.982456
4 PRO PRO LYS ARG ILE ALA 0.54918 0.901639
5 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.537879 0.876923
6 LEU PRO PRO GLU GLU ARG LEU ILE 0.528 0.903226
7 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.528 0.844828
8 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.527132 0.933333
9 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.521008 0.982759
10 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.520325 0.949153
11 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.509615 0.810345
12 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.508929 0.810345
13 SER PRO ARG LEU PRO LEU LEU GLU SER 0.495935 0.965517
14 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.483333 0.885246
15 MET PRO PRO PRO PRO TPO PRO ARG SER 0.483051 0.686567
16 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.479339 0.931035
17 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.470588 0.904762
18 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.468531 0.8
19 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.462121 0.727273
20 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.458015 0.727273
21 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.451327 0.819672
22 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.450704 0.890625
23 ARG PRO PRO LYS PRO ARG PRO ARG 0.444444 0.929825
24 MET PRO PRO PRO PRO SEP PRO CYS THR 0.442623 0.705882
25 DPN PRO DAR ILE NH2 0.435484 0.868852
26 DPN PRO DAR DTH NH2 0.435484 0.8125
27 ACE GLN GLU ARG GLU VAL PRO CYS 0.432836 0.887097
28 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.423077 0.78125
29 PRO PRO PRO PRO PRO PRO PRO PRO IYR 0.421488 0.642857
30 PRO THR PRO SER ALA PRO VAL PRO LEU 0.417323 0.746269
31 ARG PRO LYS ARG ILE ALA 0.412214 0.901639
32 DPN PRO DAR CYS NH2 0.41129 0.85
33 ARG PRO PRO GLY PHE THR PRO PHE ARG 0.411215 0.929825
34 SER PRO LYS ARG ILE ALA 0.409091 0.830769
35 PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.408163 0.661017
36 THR LYS PRO ARG 0.40708 0.864407
37 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.405797 0.820895
38 3BY PRO LYS ARG ILE ALA 0.404412 0.861538
39 CYS THR PRO SER ARG 0.401575 0.80303
40 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.40146 0.846154
41 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.4 0.876923
Similar Binding Sites (Proteins are less than 50% similar to leader)
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