Receptor
PDB id Resolution Class Description Source Keywords
3THK 1.7 Å NON-ENZYME: OTHER STRUCTURE OF SH3 CHIMERA WITH A TYPE II LIGAND LINKED TO THE TERMINAL RATTUS NORVEGICUS SH3 DOMAIN CHIMERA STRUCTURAL PROTEIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF SPECTRIN SH3 D FUSED WITH A PROLINE-RICH PEPTIDE. J.BIOMOL.STRUCT.DYN. V. 29 485 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:84;
B:85;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
PRO PRO PRO VAL PRO PRO TYR SER ALA GLY C:74;
D:74;
Valid;
Valid;
none;
none;
submit data
587.742 n/a O=C(C...
SO4 B:84;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3THK 1.7 Å NON-ENZYME: OTHER STRUCTURE OF SH3 CHIMERA WITH A TYPE II LIGAND LINKED TO THE TERMINAL RATTUS NORVEGICUS SH3 DOMAIN CHIMERA STRUCTURAL PROTEIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF SPECTRIN SH3 D FUSED WITH A PROLINE-RICH PEPTIDE. J.BIOMOL.STRUCT.DYN. V. 29 485 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3THK - PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 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 1331 families.
1 3THK - PRO PRO PRO VAL PRO PRO TYR SER ALA GLY n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3THK - PRO PRO PRO VAL PRO PRO TYR SER ALA GLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO PRO PRO VAL PRO PRO TYR SER ALA GLY; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 1 1
2 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.747126 0.960784
3 PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.666667 0.918367
4 PRO PRO PRO PRO PRO PRO PRO PRO 0.666667 0.918367
5 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.61165 0.859649
6 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.59 0.924528
7 MET PRO PRO PRO PRO TPO PRO ARG SER 0.57 0.8
8 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.561798 0.960784
9 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.526316 0.890909
10 ALA PRO PRO ALA 0.506329 0.86
11 MET PRO PRO PRO PRO SEP PRO CYS THR 0.485981 0.730159
12 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.471698 0.844828
13 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.438017 0.942308
14 PRO PRO PRO MET ALA GLY GLY 0.434783 0.8
15 ACE PHE PRO PRO PRO PRO THR 0.427184 0.792453
16 PRO PRO GLY PRO ALA GLY PRO PRO GLY 0.423423 0.854545
17 PRO PRO GLY PRO PRO GLY PRO PRO GLY 0.418367 0.867925
18 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.413793 0.824561
19 ACE GLU VAL ALA PRO PRO VAL LPD 0.4 0.872727
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO PRO PRO VAL PRO PRO TYR SER ALA GLY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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