Receptor
PDB id Resolution Class Description Source Keywords
4RH9 1.6 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF PTPN3 (PTPH1) H812F, M883G MUTANT IN CO EPS15 PTYR849 PEPTIDE HOMO SAPIENS ALPHA BETA HYDROLASE-PROTEIN BINDING COMPLEX
Ref.: SUBSTRATE SPECIFICITY AND PLASTICITY OF FERM-CONTAI PROTEIN TYROSINE PHOSPHATASES. STRUCTURE V. 23 653 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHE SER ALA PTR PRO SER GLU GLU ASP B:846;
Valid;
Atoms found LESS than expected: % Diff = 0.115;
submit data
733.692 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RH5 1.6 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF PTPN3 (PTPH1) IN COMPLEX WITH EPS15 PTY PEPTIDE HOMO SAPIENS ALPHA BETA HYDROLASE HYDROLASE-PROTEIN BINDING COMPLEX
Ref.: SUBSTRATE SPECIFICITY AND PLASTICITY OF FERM-CONTAI PROTEIN TYROSINE PHOSPHATASES. STRUCTURE 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4S0G - PHE SER ALA PTR VAL SER GLU GLU ASP n/a n/a
2 4RH9 - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
3 4RHG - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
4 4RH5 Kd = 127.3 nM PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 4S0G - PHE SER ALA PTR VAL SER GLU GLU ASP n/a n/a
2 4RH9 - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
3 4RHG - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
4 4RH5 Kd = 127.3 nM PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3O4U - TLA C4 H6 O6 [C@@H]([C@....
2 6H8S - FSZ C13 H17 F3 N4 [H]/N=C(/N....
3 4RH9 - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
4 4RHG - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
5 2CJZ - PTR C9 H12 N O6 P c1cc(ccc1C....
6 5OVR Kd = 27.2 uM AXK C20 H17 Cl2 O5 P c1cc(cc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PHE SER ALA PTR PRO SER GLU GLU ASP; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE SER ALA PTR PRO SER GLU GLU ASP 1 1
2 PHE SER ALA PTR VAL SER GLU GLU ASP 0.622951 0.757143
3 SER SER PHE TYR PRO SEP ALA GLU GLY 0.5 0.942857
4 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.492958 0.783784
5 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.490066 0.906667
6 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.483221 0.77027
7 ASP LEU PRO PHE 0.480315 0.671233
8 PHE SER HIS PRO GLN ASN THR 0.473333 0.783784
9 LYS PRO PHE PTR VAL ASN VAL NH2 0.467105 0.890411
10 PHE ASN PHE PRO GLN ILE THR 0.465278 0.756757
11 PTR VAL PRO MET LEU 0.464286 0.789474
12 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.463087 0.77027
13 TYR ASP LEU SEP LEU PRO PHE PRO 0.461538 0.891892
14 ARG SEP PRO VAL PHE SER 0.460526 0.813333
15 LEU PRO SER PHE GLU THR ALA LEU 0.459459 0.767123
16 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.458065 0.776316
17 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.458065 0.792208
18 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.450617 0.864865
19 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.45 0.802632
20 PRO ALA PRO PHE ALA SER ALA 0.45 0.774648
21 LEU ASN PHE PRO ILE SER PRO 0.45 0.736842
22 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.441558 0.859155
23 LEU SER SER PRO VAL THR LYS SER PHE 0.440789 0.777778
24 MAA LYS PRO PHE 0.439394 0.676056
25 TYR SEP PRO THR SEP PRO SER 0.438849 0.942857
26 THR PRO PRO SER PRO PHE 0.438462 0.8
27 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.437909 0.891892
28 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.436709 0.725
29 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.435897 0.743243
30 GLU VAL PTR GLU SER PRO 0.433566 0.902778
31 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.43125 0.728395
32 ARG SER ALA SEP GLU PRO SER LEU 0.429487 0.759494
33 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.422535 0.739726
34 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.421769 0.722222
35 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.421687 0.878378
36 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.421053 0.859155
37 ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2 0.419355 0.638889
38 PHE PRO ARG 0.418605 0.643836
39 SER THR SEP PRO THR PHE ASN LYS 0.417178 0.875
40 PHE CYS HIS PRO GLN ASN THR NH2 0.416667 0.77027
41 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.416185 0.727273
42 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.415493 0.861111
43 GLY THR SER SER PRO SER ALA ASP 0.414815 0.746479
44 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.413174 0.808219
45 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.412121 0.74026
46 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.411392 0.746988
47 PHE PRO THR LYS ASP VAL ALA LEU 0.411392 0.743243
48 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.409938 0.84507
49 TYR PRO PHE PHE NH2 0.407692 0.794118
50 SER HIS SEP SER PRO ALA SER LEU 0.407643 0.826667
51 LYS THR PHE PRO PRO THR GLU PRO LYS 0.407643 0.777778
52 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.407186 0.783784
53 PHE ASN ARG PRO VAL 0.406897 0.666667
54 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.406452 0.917808
55 PHE SER ASP PRO TRP GLY GLY 0.405063 0.780822
56 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.404624 0.776316
57 LEU PHE GLY TYR PRO VAL TYR VAL 0.402597 0.767123
58 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.402597 0.767123
Similar Ligands (3D)
Ligand no: 1; Ligand: PHE SER ALA PTR PRO SER GLU GLU ASP; 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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