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Receptor
PDB id Resolution Class Description Source Keywords
5U1M 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE IRS-1 PTB DOMAIN BOUND TO THE JUXTAMEMBRANE THE INSULIN RECEPTOR HOMO SAPIENS PTB DOMAIN INSULIN RECEPTOR SUBSTRATE-1 PHOSPHOPEPTIDE INRECEPTOR PROTEIN BINDING
Ref.: DOMAIN-DEPENDENT EFFECTS OF INSULIN AND IGF-1 RECEP SIGNALLING AND GENE EXPRESSION. NAT COMMUN V. 8 14892 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE LEU TYR ALA SER SER ASN PRO ALA PTR B:1000;
Valid;
none;
submit data
1104.05 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U1M 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE IRS-1 PTB DOMAIN BOUND TO THE JUXTAMEMBRANE THE INSULIN RECEPTOR HOMO SAPIENS PTB DOMAIN INSULIN RECEPTOR SUBSTRATE-1 PHOSPHOPEPTIDE INRECEPTOR PROTEIN BINDING
Ref.: DOMAIN-DEPENDENT EFFECTS OF INSULIN AND IGF-1 RECEP SIGNALLING AND GENE EXPRESSION. NAT COMMUN V. 8 14892 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5U1M - ACE LEU TYR ALA SER SER ASN PRO ALA PTR 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 209 families.
1 5U1M - ACE LEU TYR ALA SER SER ASN PRO ALA PTR 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 174 families.
1 5U1M - ACE LEU TYR ALA SER SER ASN PRO ALA PTR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACE LEU TYR ALA SER SER ASN PRO ALA PTR; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 1 1
2 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.585034 0.96
3 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.503226 0.96
4 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.49359 0.906667
5 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.493506 0.802632
6 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.491018 0.853333
7 PHE SER ALA PTR PRO SER GLU GLU ASP 0.490066 0.906667
8 ACE PRO ASP PTR GLU ASN LEU 0.47651 0.907895
9 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.474684 0.858974
10 PRO SER TYR SEP PRO THR SEP PRO SER 0.474026 0.881579
11 N7P THR SEP PRO SER TYR SET 0.473684 0.883117
12 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.47205 0.789474
13 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.469799 0.75
14 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.469512 0.842105
15 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.466258 0.868421
16 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.459627 0.815789
17 GLU ALA ASP PRO THR GLY HIS SER TYR 0.450867 0.820513
18 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.450617 0.828947
19 PRO GLN PTR GLU PTR ILE PRO ALA 0.450617 0.87013
20 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.449102 0.792208
21 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.447674 0.921053
22 PRO GLN PTR ILE PTR VAL PRO ALA 0.447205 0.883117
23 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.447205 0.868421
24 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.446541 0.868421
25 ASN ASP TRP LEU LEU PRO SER TYR 0.445087 0.858974
26 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.444444 0.792208
27 ACE PRO ALA PRO TYR 0.443609 0.714286
28 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.441176 0.87013
29 GLY ASN TYR SER PHE TYR ALA LEU 0.440559 0.706667
30 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.433526 0.8125
31 HIS SER ILE THR TYR LEU LEU PRO VAL 0.432749 0.822785
32 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.430233 0.844156
33 TYR SEP PRO THR SEP PRO SER 0.42953 0.881579
34 ASP ILE ALA TYR TYR THR SER GLU PRO 0.429487 0.855263
35 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.428571 0.8125
36 PRO GLN PTR GLU GLU ILE PRO ILE 0.426829 0.844156
37 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.424242 0.813333
38 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.424242 0.813333
39 6NA PTR VAL ASN VAL 9PR 0.423077 0.860759
40 LEU PRO SER PHE GLU THR ALA LEU 0.42236 0.813333
41 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.42236 0.842105
42 LYS PRO PHE PTR VAL ASN VAL NH2 0.421687 0.907895
43 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.418079 0.804878
44 ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG 0.417808 0.68
45 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.414201 0.792208
46 VAL PRO LEU ARG PRO MET THR TYR 0.409357 0.741176
47 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.407895 0.746667
48 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.407407 0.828947
49 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.406593 0.960526
50 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.406593 0.820513
51 GLU VAL PTR GLU SER PRO 0.406452 0.92
52 PTR VAL PRO MET LEU 0.406452 0.810127
53 VAL TYR PRO IAS HIS ALA 0.40625 0.782051
54 1IP CYS PHE SER LYS PRO ARG 0.405882 0.731707
55 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.405714 0.740741
56 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.404624 0.828947
57 SER ASP PTR MET ASN MET THR PRO 0.403614 0.898734
58 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.403409 0.828947
59 PRO ALA PRO PHE ALA SER ALA 0.402597 0.75
60 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.402597 0.763158
61 ARG LEU TYR HIS SEP LEU PRO ALA 0.402235 0.853659
62 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.402174 0.772152
63 GLN ASN TYR PRO ILE VAL GLN 0.4 0.802632
64 PRO THR SEP PRO SER TYR 0.4 0.868421
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U1M; Ligand: ACE LEU TYR ALA SER SER ASN PRO ALA PTR; Similar sites found with APoc: 54
This union binding pocket(no: 1) in the query (biounit: 5u1m.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 1HBK MYR None
3 6BR8 6OU None
4 1DTL BEP None
5 5TVI O8N None
6 3RV5 DXC None
7 1XPJ TLA None
8 2CB8 MYA None
9 4K55 H6P None
10 3AQT RCO None
11 5FII PHE None
12 4XMF HSM None
13 2GJ5 VD3 None
14 1UO5 PIH None
15 1MID LAP None
16 5U97 PIT 2.85714
17 3KP6 SAL 3.80952
18 4LIK CIT 3.80952
19 5GZ9 MAN 4.7619
20 4DE3 DN8 4.7619
21 3O5N BR0 5.35714
22 1SBR VIB 5.71429
23 1R55 097 5.71429
24 6FA4 D1W 5.78035
25 1TV5 N8E 6.66667
26 3GF2 SAL 6.66667
27 6C0B MLI 6.66667
28 1NF8 BOG 6.66667
29 1XVB BHL BHL 6.66667
30 5AZC PGT 6.66667
31 5GG9 8GM 6.66667
32 4AIG FLX 6.66667
33 6D5H FV7 6.66667
34 5WJ6 B4A 7.61905
35 5C9J DAO 7.61905
36 1L6O SER LEU LYS LEU MET THR THR VAL 8.42105
37 1TIQ COA 8.57143
38 5V3Y 5V8 8.57143
39 4MRP GSH 8.57143
40 2VWA PTY 8.91089
41 4RW3 PLM 9.52381
42 2BCG GER 10.4762
43 3ZOK GLY 10.4762
44 1T0S BML 10.4762
45 6CB2 OLC 11.4286
46 4FFG 0U8 11.4286
47 4OGQ 7PH 12.381
48 4OGQ UMQ 12.381
49 2YLD CMO 13.3333
50 5OCA 9QZ 13.3333
51 5CX6 CDP 17.1429
52 3GD8 GOL 20.9524
53 2Z7I 742 20.9524
54 4U8P UDP 29.5238
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