Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE D:407;
E:407;
F:407;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 6.5 uM
612.707 n/a O=C([...
View in 3D viewer
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: ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 1 1
2 ACE ASN TRP GLU THR PHE 0.582609 0.803571
3 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.581967 0.842105
4 ASP GLU ASP LYS TRP ASP ASP PHE 0.566372 0.719298
5 TYR GLU TRP 0.548077 0.9
6 GLY LEU MET TRP LEU SER TYR PHE VAL 0.542636 0.761905
7 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.53271 0.823529
8 GLU ASP ASN ASP TRP ASN 0.530612 0.754717
9 VAL TYR 0.529412 0.770833
10 ALA TRP LEU PHE GLU ALA 0.521368 0.862745
11 THR ASN GLU PHE TYR PHE 0.519608 0.735849
12 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.517986 0.786885
13 ACE GLU TRP TRP TRP 0.514852 0.788462
14 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.514085 0.8
15 MET TYR TRP TYR PRO TYR 0.507692 0.69697
16 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.504132 0.672131
17 SER SER VAL VAL GLY VAL TRP TYR LEU 0.503876 0.827586
18 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.503759 0.836364
19 ALA ALA TRP LEU PHE GLU ALA 0.495935 0.862745
20 SER SER VAL ILE GLY VAL TRP TYR LEU 0.492537 0.813559
21 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.492424 0.77193
22 ASP TRP ASN 0.490196 0.754717
23 ASN ASP TRP LEU LEU PRO SER TYR 0.482759 0.685714
24 TYR TRP ALA ALA ALA ALA 0.482143 0.958333
25 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.47651 0.716418
26 SER TRP PHE PRO 0.474576 0.636364
27 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.474453 0.8
28 ILE ASP TRP PHE ASP GLY LYS ASP 0.473684 0.716667
29 ASP SER TRP LYS ASP GLY CYS TYR 0.471014 0.725806
30 PRO ALA TRP LEU PHE GLU ALA 0.470149 0.758621
31 MET ASN TRP ASN ILE 0.46789 0.763636
32 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.466667 0.789474
33 GLU ASN GLN LYS GLU TYR PHE PHE 0.465517 0.661017
34 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.459259 0.793103
35 SER ARG TYR TRP ALA ILE ARG THR ARG 0.458333 0.701493
36 ILE ASP TRP PHE ASP GLY LYS GLU 0.456522 0.716667
37 ILE ASP TRP PHE GLU GLY LYS GLU 0.456522 0.716667
38 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.453782 0.8
39 8LR GLY TRP TYR XSN 0.451128 0.625
40 LYS TRP LYS 0.448598 0.727273
41 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.445378 0.796296
42 PRO GLN PHE SER LEU TRP LYS ARG 0.444444 0.709677
43 GLU LEU ASP HOX TRP ALA SER 0.443609 0.762712
44 LYS TRP 0.441176 0.703704
45 TYR GLN PHE 0.441176 0.78
46 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.439189 0.705882
47 PCA GLN TRP 0.4375 0.773585
48 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.4375 0.671642
49 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.435065 0.691176
50 ALA PRO ALA TRP LEU PHE GLU ALA 0.430556 0.6875
51 ARG LEU TRP SER 0.429752 0.709677
52 PCA ASN TRP 0.428571 0.745455
53 TYR MET TRP ASP GLY TRP TYR MET QJE 0.428571 0.657143
54 X95 0.424779 0.727273
55 LSW 0.424779 0.727273
56 R38 0.424242 0.698113
57 R59 0.424242 0.698113
58 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.423529 0.64
59 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.423077 0.761905
60 TRP GLU TYR ILE PRO ASN VAL 0.422819 0.716418
61 ALA LEU ASP LYS TRP ASP 0.422764 0.741379
62 THR PRO ASP TYR PHE LEU 0.422414 0.793103
63 ARG TYR PRO LEU THR PHE GLY TRP 0.419753 0.657534
64 0ZN 0.419643 0.823529
65 MET LEU ILE TYR SER MET TRP GLY LYS 0.419355 0.716418
66 ASP TRP GLU ILE VAL 0.418033 0.811321
67 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.417323 0.66129
68 GAL TRP LYS TYR LEU PHB 0.416058 0.703125
69 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.416 0.626866
70 THR ASN GLU PHE TYR ALA 0.415254 0.745455
71 THR SER THR THR SER VAL ALA SER SER TRP 0.41129 0.818182
72 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.410714 0.857143
73 ALA SER ASN GLU ASN TRP GLU THR MET 0.410448 0.6875
74 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.410256 0.637681
75 ALA LEU ASP LEU PHE 0.41 0.666667
76 GLU ALA ASP LYS TRP GLN SER 0.407407 0.7
77 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.406667 0.6875
78 TI2 0.405941 0.72
79 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.405797 0.671642
80 ALA PHE 0.404494 0.604167
81 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.402985 0.692308
82 TRP GLU GLU LEU 0.401786 0.826923
83 GLY ASN TYR SER PHE TYR ALA LEU 0.401639 0.683333
84 GLU ASN LEU TYR PHE GLN 0.401639 0.763636
85 IPF 0.4 0.661538
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback