Receptor
PDB id Resolution Class Description Source Keywords
1H9O 1.79 Å NON-ENZYME: SIGNAL_HORMONE PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGFC RYSTAL STRUCTURE AT 1.79 A HOMO SAPIENS TRANSFERASE/RECEPTOR COMPLEX (PHOSPHOTRANSFERASE-RECEPTOR)PHOSPHOTRANSFERASE SH2 DOMAIN SIGNAL TRANSDUCTION PHOSPHOINOSITIDE 3-KINASE TRANSFERASE-RECEPTOR COMPLEX
Ref.: NMR TRIAL MODELS: EXPERIENCES WITH THE COLICIN IMMU PROTEIN IM7 AND THE P85ALPHA C-TERMINAL SH2-PEPTIDE ACTA CRYSTALLOGR.,SECT.D V. 57 1397 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PTR VAL PRO MET LEU B:1;
Valid;
none;
submit data
699.763 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AUL 1.1 Å NON-ENZYME: SIGNAL_HORMONE PI3K P85 C-TERMINAL SH2 DOMAIN/CD28-DERIVED PEPTIDE COMPLEX HOMO SAPIENS ANTIGENS PHOSPHOPEPTIDES SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURES AND THERMODYNAMIC ANALYSIS REVEA DISTINCT MECHANISMS OF CD28 PHOSPHOPEPTIDE BINDING SRC HOMOLOGY 2 (SH2) DOMAINS OF THREE ADAPTOR PROTE J. BIOL. CHEM. V. 292 1052 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5AUL - SER ASP PTR MET ASN MET THR PRO n/a n/a
2 1H9O - PTR VAL PRO MET LEU 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 214 families.
1 5AUL - SER ASP PTR MET ASN MET THR PRO n/a n/a
2 1H9O - PTR VAL PRO MET LEU n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5AUL - SER ASP PTR MET ASN MET THR PRO n/a n/a
2 1H9O - PTR VAL PRO MET LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PTR VAL PRO MET LEU; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 PTR VAL PRO MET LEU 1 1
2 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.534884 0.75
3 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.523077 0.75
4 ASN LEU VAL PRO MET VAL ALA THR VAL 0.522388 0.756757
5 PRO GLN PTR ILE PTR VAL PRO ALA 0.521429 0.864865
6 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.510345 0.943662
7 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.506849 0.792208
8 SER ASP PTR MET ASN MET THR PRO 0.5 0.881579
9 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.496454 0.84507
10 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.48951 0.818182
11 ASP GLY PTR MET PRO 0.48855 0.929577
12 PRO GLN PTR GLU GLU ILE PRO ILE 0.475862 0.875
13 PRO GLN PTR GLU PTR ILE PRO ALA 0.472603 0.851351
14 ILE MET ASP GLN VAL PRO PHE SER VAL 0.470199 0.75
15 THR PRO TYR ASP ILE ASN GLN MET LEU 0.467105 0.813333
16 GLU VAL PTR GLU SER PRO 0.466667 0.851351
17 SER PRO ILE VAL PRO SER PHE ASP MET 0.466216 0.753247
18 THR PRO GLN ASP LEU ASN THR MET LEU 0.464286 0.77027
19 PHE SER ALA PTR PRO SER GLU GLU ASP 0.464286 0.789474
20 6NA PTR VAL ASN VAL 9PR 0.463768 0.866667
21 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.462069 0.75
22 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.461078 0.775
23 VAL MET ALA PRO ARG THR LEU PHE LEU 0.461039 0.725
24 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.458599 0.828947
25 ALA MET ALA PRO ARG THR LEU LEU LEU 0.453901 0.7
26 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.452703 0.859155
27 TYR SEP PRO THR SEP PRO SER 0.451128 0.813333
28 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.450382 0.706667
29 LYS PRO PHE PTR VAL ASN VAL NH2 0.449664 0.815789
30 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.446667 0.767123
31 LYS PRO SEP GLN GLU LEU 0.445312 0.794521
32 LEU PRO PHE GLU LYS SER THR VAL MET 0.445161 0.763158
33 VAL PRO LEU ARG PRO MET THR TYR 0.444444 0.78481
34 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.443038 0.84
35 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.442857 0.702703
36 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.442857 0.723684
37 ARG PRO MET THR PHE LYS GLY ALA LEU 0.442424 0.716049
38 ARG PRO MET THR TYR LYS GLY ALA LEU 0.439759 0.753086
39 SER SER GLY LYS VAL PRO LEU 0.439394 0.657895
40 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.438849 0.684211
41 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.438272 0.746988
42 MET GLN SER TPO PRO LEU 0.43662 0.826667
43 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.435374 0.813333
44 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.434483 0.696203
45 SER MET PRO GLU LEU SER PRO VAL LEU 0.433824 0.736842
46 ASN LEU VAL PRO THR VAL ALA THR VAL 0.42963 0.702703
47 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.426471 0.702703
48 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.425676 0.818182
49 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.421429 0.756757
50 ACE MET GLN SER SEP PRO LEU NH2 0.421429 0.802632
51 PHE PRO THR LYS ASP VAL ALA LEU 0.421053 0.72
52 LEU PRO PHE GLU ARG ALA THR VAL MET 0.420732 0.725
53 LEU PRO PHE ASP LYS THR THR ILE MET 0.420382 0.763158
54 PRO MET GLN SER TPO PRO LEU 0.418919 0.828947
55 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.41875 0.771084
56 ASN LEU VAL PRO SER VAL ALA THR VAL 0.417266 0.684211
57 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.417219 0.777778
58 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.416058 0.887324
59 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.415094 0.7125
60 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.414966 0.76
61 LEU PRO SER PHE GLU THR ALA LEU 0.412162 0.72
62 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.411392 0.74359
63 LYS LEU THR PRO LEU CYS VAL THR LEU 0.411348 0.716216
64 VAL PRO LEU 0.411215 0.720588
65 LEU PRO PHE ASP LYS SER THR ILE MET 0.411043 0.753247
66 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.410596 0.777778
67 PTR LEU ARG VAL ALA 0.410448 0.716216
68 ALA THR PRO PHE GLN GLU 0.410072 0.708333
69 SER SER GLY LYS VAL PRO LEU SER 0.408759 0.671053
70 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.408163 0.75
71 ALA VAL PRO TRP 0.407692 0.722222
72 LEU PRO PHE ASP ARG THR THR ILE MET 0.407407 0.728395
73 PHE ASN PHE PRO GLN ILE THR 0.406897 0.688312
74 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.406667 0.75
75 ILE THR ASP GLN VAL PRO PHE SER VAL 0.406452 0.710526
76 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.406452 0.810127
77 SER VAL PRO ILE 0.405172 0.666667
78 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.404959 0.714286
79 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.404624 0.670732
80 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.40411 0.692308
81 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.402878 0.68
82 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.402597 0.768293
83 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.401235 0.706667
Similar Ligands (3D)
Ligand no: 1; Ligand: PTR VAL PRO MET LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback