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 16 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 13 families.
1 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 40 families.
1 6A9C - LYS VAL ALA PRO PRO ILE PRO HIS ARG 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 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
9 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
10 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
11 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
12 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
13 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
14 4HXJ Kd ~ 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA PRO THR MET PRO PRO PRO LEU PRO PRO; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 1 1
2 LYS THR PHE PRO PRO THR GLU PRO LYS 0.47482 0.835821
3 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.472441 0.820895
4 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.469231 0.876923
5 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.46087 0.78125
6 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.453237 0.802817
7 ALA PRO THR 0.452632 0.793651
8 MET THR SER ALA ILE GLY ILE LEU PRO VAL 0.446809 0.895522
9 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.443548 0.704225
10 VAL PRO LEU ARG PRO MET THR TYR 0.442177 0.837838
11 SER MET PRO GLU LEU SER PRO VAL LEU 0.44186 0.924242
12 ALA MET ALA PRO ARG THR LEU LEU LEU 0.441176 0.871429
13 THR PRO GLN ASP LEU ASN THR MET LEU 0.441176 0.938462
14 GLN MET PRO THR GLU ASP GLU TYR 0.440559 0.897059
15 ASN LEU VAL PRO MET VAL ALA THR VAL 0.433824 0.923077
16 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.428571 0.685714
17 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.412281 0.815385
18 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.410448 0.876923
19 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.408759 0.777778
20 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.407407 0.796875
21 ASN LEU VAL PRO THR VAL ALA THR VAL 0.40458 0.861538
22 THR PRO PRO SER PRO PHE 0.401639 0.80597
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA PRO THR MET PRO PRO PRO LEU PRO PRO; 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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