Receptor
PDB id Resolution Class Description Source Keywords
3GDV 2.49 Å EC: 3.4.21.107 CRYSTAL STRUCTURE OF DEGS H198P/D320A MUTANT MODIFIED BY DFP COMPLEX WITH YQF PEPTIDE ESCHERICHIA COLI PROTEASE STRESS-SENSOR HTRA PDZ OMP HYDROLASE SERINE PRHYDROLASE-HYDROLASE ACTIVATOR COMPLEX
Ref.: OMP PEPTIDES ACTIVATE THE DEGS STRESS-SENSOR PROTEA RELIEF OF INHIBITION MECHANISM. STRUCTURE V. 17 1411 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR GLN PHE D:408;
E:408;
F:408;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
456.499 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R3Y 2.5 Å EC: 3.4.21.107 CRYSTAL STRUCTURE OF THE DEGS PROTEASE IN COMPLEX WITH THE YWF ACTIVATING PEPTIDE ESCHERICHIA COLI REVERSIBLE ACTIVATION OF A PROTEASE CATALYTIC TRIAD HYDROLASE PERIPLASM SERINE PROTEASE HYDROLASE/HYDROLASE ACTIVATOR COMPLEX
Ref.: REGULATION OF THE SIGMAE STRESS RESPONSE BY DEGS: HOW THE PDZ DOMAIN KEEPS THE PROTEASE INACTIVE IN THE RESTING STATE AND ALLOWS INTEGRATION OF DIFFERENT OMP-DERIVED STRESS SIGNALS UPON FOLDING STRESS. GENES DEV. V. 21 2659 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6EW9 - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
2 1SOZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
3 3GDV - TYR GLN PHE n/a n/a
4 4RQZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
5 2R3Y Kd = 6.5 uM ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6EW9 - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
2 1SOZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
3 3GDV - TYR GLN PHE n/a n/a
4 4RQZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
5 2R3Y Kd = 6.5 uM ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6EW9 - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
2 1SOZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
3 3GDV - TYR GLN PHE n/a n/a
4 4RQZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
5 2R3Y Kd = 6.5 uM ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR GLN PHE; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR GLN PHE 1 1
2 SER GLN ASN TYR 0.653846 0.795918
3 THR ASN GLU PHE TYR PHE 0.595238 0.931818
4 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.588889 0.911111
5 TYR GLN SER LYS LEU 0.577778 0.722222
6 GLU ASN GLN LYS GLU TYR PHE PHE 0.568421 0.82
7 SEP GLN GLU TYR NH2 0.52809 0.709091
8 TYR ASP GLN ILE LEU 0.526882 0.829787
9 PHE ALA GLN 0.525641 0.785714
10 GLU GLU GLN GLU GLU TYR 0.518987 0.928571
11 TYR PHE SER SEP ASN 0.515464 0.684211
12 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.513514 0.836735
13 TYR GLY GLY PHE LEU 0.5 0.8
14 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.5 0.696429
15 GLU GLN TYR LYS PHE TYR SER VAL 0.5 0.759259
16 SER GLN TYR TYR TYR ASN SER LEU 0.494845 0.773585
17 TYR GLY GLY PHE MET 0.494845 0.788462
18 ALA GLU THR PHE 0.494118 0.782609
19 ASP ASP ASP ASP TYR 0.493671 0.860465
20 PHE ARG TYR LEU GLY 0.490196 0.732143
21 TYR SER ALA 0.487179 0.75
22 GLU ASN LEU TYR PHE GLN 0.485149 0.836735
23 PHE LEU SER TYR LYS 0.48 0.740741
24 PHE LEU ALA TYR LYS 0.48 0.8
25 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.479167 0.764706
26 ASP PHE GLU ASP TYR GLU PHE ASP 0.479167 0.87234
27 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.478723 0.693878
28 THR ASN GLU PHE TYR ALA 0.474747 0.854167
29 VAL TYR 0.472973 0.772727
30 SEP GLN GLU PTR 0.468085 0.690909
31 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.466102 0.694915
32 ALA PHE 0.464789 0.666667
33 LEU GLU PHE GLN GLY 0.463158 0.68
34 PHE LEU GLU LYS 0.462366 0.68
35 ASP ALA ASP GLU GLU ASP PHE 0.461538 0.76087
36 ASP PHE 0.459459 0.738095
37 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.459459 0.616667
38 ASP ARG VAL TYR 0.455556 0.829787
39 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.450382 0.672131
40 ALA LEU ASP LEU PHE 0.445783 0.695652
41 THR LYS ASN TYR LYS GLN PHE SER VAL 0.445455 0.745455
42 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.444444 0.777778
43 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.441176 0.78
44 THR ASN GLU PHE ALA PHE 0.44086 0.8
45 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.439655 0.622951
46 ACE LEU PHE 0.435897 0.652174
47 PHE TYR ARG ALA LEU MET 0.434783 0.677966
48 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.432836 0.640625
49 LYS TYR LYS 0.430233 0.808511
50 ASP PHE GLU GLU ILE 0.430108 0.723404
51 GLY GLY LYS LYS LYS TYR GLN LEU 0.428571 0.75
52 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.42735 0.719298
53 SER ASP TYR GLN ARG LEU 0.427184 0.696429
54 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.425197 0.672131
55 GLY TYR 0.424658 0.777778
56 GLY GLU GLU GLU GLY GLU CYS TYR 0.42268 0.8125
57 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.422222 0.61194
58 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.421488 0.616667
59 PHE GLU ASP LEU ARG VAL SER SER PHE 0.421488 0.616667
60 SER HIS PHE ASN GLU TYR GLU 0.420168 0.719298
61 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.419643 0.716981
62 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.419048 0.829787
63 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.418033 0.732143
64 VAL GLN GLN GLU SER SER PHE VAL MET 0.416667 0.614035
65 TYR PRO PHE PHE NH2 0.414141 0.696429
66 ARG TYR GLY PHE VAL ALA ASN PHE 0.413223 0.706897
67 LYS GLN LYS 0.4125 0.659574
68 ALA GLN PHE SER ALA SER ALA SER ARG 0.411215 0.603448
69 GLU THR LEU GLU ASP SER VAL PHE 0.411111 0.647059
70 ACE GLN ALC ASP LEU PHE 0.407407 0.686275
71 TI2 0.406977 0.837209
72 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.404762 0.719298
73 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.403509 0.788462
74 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.403101 0.606061
75 ACE MET GLU GLU VAL PHE 0.402062 0.634615
76 GLY ASN TYR SER PHE TYR ALA LEU 0.401869 0.709091
77 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.401786 0.82
78 ASP GLU LEU GLU ILE LYS ALA TYR 0.401709 0.735849
79 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.401639 0.773585
80 TYR GLU TRP 0.4 0.87234
81 ALA THR ALA ALA ALA THR GLU ALA TYR 0.4 0.829787
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR GLN PHE; 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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