Receptor
PDB id Resolution Class Description Source Keywords
1FYN 2.3 Å EC: 2.7.1.112 PHOSPHOTRANSFERASE HOMO SAPIENS PROTO-ONCOGENE TRANSFERASE TYROSINE-PROTEIN KINASE PHOSPHORYLATION ATP-BINDING MYRISTYLATION SH3 DOMAIN COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE)
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
PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO B:1;
Valid;
none;
submit data
1005.18 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FYN 2.3 Å EC: 2.7.1.112 PHOSPHOTRANSFERASE HOMO SAPIENS PROTO-ONCOGENE TRANSFERASE TYROSINE-PROTEIN KINASE PHOSPHORYLATION ATP-BINDING MYRISTYLATION SH3 DOMAIN COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE)
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 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 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 10 families.
1 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
2 4HXJ Kd = 74.3 uM ARG GLY THR n/a n/a
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 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 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
4 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
5 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
6 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
7 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
9 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
10 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
11 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
12 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
13 4HXJ Kd = 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 1 1
2 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.472441 0.820895
3 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.466216 0.880597
4 ACE PRO ALA PRO TYR 0.465517 0.933333
5 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.464789 0.920635
6 GLN ASN TYR PRO ILE VAL GLN 0.463768 0.861538
7 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.462687 0.919355
8 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.46087 0.83871
9 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.459259 0.920635
10 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.458904 0.848485
11 ARG VAL SER PRO SER THR SER TYR THR PRO 0.450382 0.875
12 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.44898 0.90625
13 LYS THR PHE PRO PRO THR GLU PRO LYS 0.442177 0.859375
14 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.440559 0.921875
15 VAL TYR PRO IAS HIS ALA 0.439716 0.863636
16 LEU PHE GLY TYR PRO VAL TYR VAL 0.4375 0.875
17 ASP ILE ALA TYR TYR THR SER GLU PRO 0.435714 0.811594
18 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.433333 0.875
19 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.427586 0.878788
20 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.426035 0.77027
21 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.425676 0.888889
22 THR PRO PRO SER PRO PHE 0.424 0.857143
23 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.422222 0.885246
24 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.42 0.875
25 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.42 0.875
26 LEU ASN PHE PRO ILE SER PRO 0.416058 0.808824
27 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.414966 0.823529
28 TYR SEP PRO THR SEP PRO SER 0.414815 0.788732
29 TYR PRO PHE PHE NH2 0.414634 0.852459
30 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.412903 0.850746
31 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.411765 0.84127
32 01B PRO PRO ALA NH2 0.411765 0.854839
33 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.409639 0.852941
34 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.40625 0.876923
35 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.403974 0.838235
36 ACE TYR PRO ILE GLN GLU THR 0.402778 0.888889
37 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.402685 0.722222
38 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.402597 0.763158
39 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.401274 0.876923
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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