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;
submit data
733.692 n/a P(=O)...
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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 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
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 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 16 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 Ki = 8.9 uM AXK C20 H17 Cl2 O5 P c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHE SER ALA PTR PRO SER GLU GLU ASP; Similar ligands found: 54
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 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.492958 0.783784
4 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.490066 0.906667
5 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.483221 0.77027
6 LYS PRO PHE PTR VAL ASN VAL NH2 0.467105 0.890411
7 PHE ASN PHE PRO GLN ILE THR 0.465278 0.756757
8 PTR VAL PRO MET LEU 0.464286 0.789474
9 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.463087 0.77027
10 ARG SEP PRO VAL PHE SER 0.460526 0.813333
11 LEU PRO SER PHE GLU THR ALA LEU 0.459459 0.767123
12 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.458065 0.776316
13 SER ASP ILE LEU PHE PRO ALA ASP SER 0.452055 0.743243
14 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.450617 0.864865
15 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.45 0.753425
16 LEU ASN PHE PRO ILE SER PRO 0.45 0.736842
17 PRO ALA PRO PHE ALA SER ALA 0.45 0.774648
18 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.45 0.802632
19 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.441558 0.859155
20 LEU SER SER PRO VAL THR LYS SER PHE 0.440789 0.777778
21 MAA LYS PRO PHE 0.439394 0.676056
22 TYR SEP PRO THR SEP PRO SER 0.438849 0.942857
23 THR PRO PRO SER PRO PHE 0.438462 0.8
24 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.437909 0.891892
25 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.436709 0.725
26 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.435897 0.743243
27 GLU VAL PTR GLU SER PRO 0.433566 0.902778
28 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.43125 0.728395
29 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.422535 0.861111
30 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.421769 0.722222
31 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.421687 0.878378
32 PHE PRO ARG 0.418605 0.643836
33 SER THR SEP PRO THR PHE ASN LYS 0.417178 0.875
34 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.416185 0.727273
35 GLY THR SER SER PRO SER ALA ASP 0.414815 0.746479
36 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.413174 0.808219
37 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.412162 0.942029
38 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.412121 0.74026
39 PHE PRO THR LYS ASP VAL ALA LEU 0.411392 0.743243
40 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.411392 0.746988
41 ARG VAL SER PRO SER THR SER TYR THR PRO 0.411348 0.842857
42 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.410256 0.917808
43 TYR PRO PHE PHE NH2 0.407692 0.794118
44 LYS THR PHE PRO PRO THR GLU PRO LYS 0.407643 0.777778
45 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.407186 0.783784
46 PHE ASN ARG PRO VAL 0.406897 0.666667
47 PRO THR SEP PRO SER TYR 0.406667 0.956522
48 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.406504 0.652778
49 PHE SER ASP PRO TRP GLY GLY 0.405063 0.780822
50 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.404624 0.776316
51 GLY SER ASP PRO PHE LYS 0.404255 0.760563
52 LEU PHE GLY TYR PRO VAL TYR VAL 0.402597 0.767123
53 ALA THR PRO PHE GLN GLU 0.401575 0.753623
54 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.401274 0.915493
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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