Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG B:1;
Valid;
none;
Kd = 1.9 uM
916.223 n/a O=C(N...
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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 ALA LEU PRO PRO LYS LYS ARG; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 1 1
2 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.561404 0.96
3 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.528 0.844828
4 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.482143 0.96
5 PRO PRO LYS LYS LYS ARG LYS VAL 0.480315 0.827586
6 PRO PRO LYS ARG ILE ALA 0.477612 0.786885
7 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.474074 0.890909
8 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.442623 0.9
9 SER PRO ARG LEU PRO LEU LEU GLU SER 0.440298 0.844828
10 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.438849 0.813559
11 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.438356 0.925926
12 MET PRO PRO PRO PRO SEP PRO CYS THR 0.423077 0.730159
13 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.422535 0.813559
14 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.42069 0.847458
15 LEU PRO PRO GLU GLU ARG LEU ILE 0.41844 0.790323
16 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.41791 0.862069
17 GLU LEU PRO LEU VAL LYS ILE 0.416058 0.888889
18 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.414634 0.833333
19 PRO GLY PRO LEU PRO ALA 0.412698 0.907407
20 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.405229 0.78125
21 MET PRO PRO PRO PRO TPO PRO ARG SER 0.40458 0.737705
22 PRO PRO PRO PRO PRO PRO PRO PRO IYR 0.403101 0.714286
23 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.402985 0.779661
24 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.40146 0.806452
25 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.4 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
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