Receptor
PDB id Resolution Class Description Source Keywords
1ABO 2 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF THE COMPLEX OF THE ABL TYROSINE KINASE SH3 DOMAIN WITH 3BP-1 SYNTHETIC PEPTIDE MUS MUSCULUS SH3 DOMAIN TRANSFERASE (PHOSPHOTRANSFERASE) PROTO- ONCOGENE COMPLEX (KINASE/PEPTIDE) COMPLEX
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES OF TYROSINE KINASE SH3 DOMAINS COMPLEXED WITH PROLINE-RICH PEPTIDES. NAT.STRUCT.BIOL. V. 1 546 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA PRO THR MET PRO PRO PRO LEU PRO PRO C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
1017.26 n/a S(CCC...
SO4 A:410;
B:411;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ABO 2 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF THE COMPLEX OF THE ABL TYROSINE KINASE SH3 DOMAIN WITH 3BP-1 SYNTHETIC PEPTIDE MUS MUSCULUS SH3 DOMAIN TRANSFERASE (PHOSPHOTRANSFERASE) PROTO- ONCOGENE COMPLEX (KINASE/PEPTIDE) COMPLEX
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES OF TYROSINE KINASE SH3 DOMAINS COMPLEXED WITH PROLINE-RICH PEPTIDES. NAT.STRUCT.BIOL. V. 1 546 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO 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 10 families.
1 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO 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: ALA PRO THR MET PRO PRO PRO LEU PRO PRO; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 1 1
2 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.472868 0.818182
3 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.469697 0.888889
4 LYS THR PHE PRO PRO THR GLU PRO LYS 0.464789 0.846154
5 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.455285 0.690141
6 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.452991 0.774194
7 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.451613 0.671429
8 SER MET PRO GLU LEU SER PRO VAL LEU 0.448529 0.923077
9 ALA PRO THR 0.443299 0.790323
10 GLN MET PRO THR GLU ASP GLU TYR 0.4375 0.882353
11 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.43662 0.788732
12 ALA MET ALA PRO ARG THR LEU LEU LEU 0.427536 0.857143
13 ALA PRO ASP THR ARG PRO 0.423077 0.788732
14 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.422764 0.846154
15 THR PRO GLN ASP LEU ASN THR MET LEU 0.415493 0.923077
16 VAL PRO LEU ARG PRO MET THR TYR 0.410596 0.824324
17 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.406452 0.911765
18 ASN LEU VAL PRO MET VAL ALA THR VAL 0.404255 0.907692
19 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.40146 0.806452
20 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.40146 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
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