Receptor
PDB id Resolution Class Description Source Keywords
2R3Y 2.5 Å EC: 3.4.21.- 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
613.715 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.- 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 (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1SOZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
2 3GDV - TYR GLN PHE n/a n/a
3 4RQZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
4 2R3Y Kd = 6.5 uM ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 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 12 families.
1 1SOZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
2 3GDV - TYR GLN PHE n/a n/a
3 4RQZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
4 2R3Y Kd = 6.5 uM ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1SOZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
2 3GDV - TYR GLN PHE n/a n/a
3 4RQZ - ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE n/a n/a
4 2R3Y Kd = 6.5 uM ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 1 1
2 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.659341 0.82
3 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.626087 0.839286
4 ASP GLU ASP LYS TRP ASP ASP PHE 0.609524 0.727273
5 ASP SER TRP LYS ASP GLY CYS TYR 0.567797 0.793103
6 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.564885 0.810345
7 GLY LEU MET TRP LEU SER TYR PHE VAL 0.563492 0.758065
8 ALA TRP LEU PHE GLU ALA 0.553571 0.86
9 TYR GLU TRP 0.54902 0.897959
10 LYS TRP LYS 0.536842 0.735849
11 MET TYR TRP TYR PRO TYR 0.536585 0.692308
12 VAL TYR 0.536585 0.744681
13 ACE ASN TRP GLU THR PHE 0.533333 0.785714
14 SER SER VAL VAL GLY VAL TRP TYR LEU 0.532258 0.824561
15 ACE GLU TRP TRP TRP 0.530612 0.803922
16 ALA ALA TRP LEU PHE GLU ALA 0.525424 0.86
17 ILE ASP TRP PHE ASP GLY LYS ASP 0.524194 0.711864
18 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.518248 0.770492
19 ILE ASP TRP PHE ASP GLY LYS GLU 0.515625 0.711864
20 ILE ASP TRP PHE GLU GLY LYS GLU 0.515625 0.711864
21 THR ASN GLU PHE TYR PHE 0.509804 0.730769
22 TYR TRP ALA ALA ALA ALA 0.509259 0.957447
23 LYS TRP 0.505376 0.711538
24 GLU ASN GLN LYS GLU TYR PHE PHE 0.504505 0.666667
25 SER SER VAL ILE GLY VAL TRP TYR LEU 0.503817 0.810345
26 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.503817 0.746032
27 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.5 0.701493
28 GLU ASP ASN ASP TRP ASN 0.5 0.735849
29 ASP TRP ASN 0.5 0.735849
30 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.495495 0.672414
31 THR TYR LYS PHE PHE GLU GLN 0.495495 0.672414
32 SER TRP PHE PRO 0.491228 0.630769
33 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.488722 0.818182
34 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.483607 0.666667
35 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.481203 0.783333
36 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.478261 0.807018
37 SER ARG TYR TRP ALA ILE ARG THR ARG 0.478261 0.686567
38 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.473684 0.77193
39 PRO ALA TRP LEU PHE GLU ALA 0.469697 0.767857
40 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.469697 0.789474
41 ARG LEU TRP SER 0.469027 0.693548
42 ASN ASP TRP LEU LEU PRO SER TYR 0.468531 0.671429
43 8LR GLY TRP TYR XSN 0.461538 0.611111
44 GLU LEU ASP HOX TRP ALA SER 0.460938 0.745763
45 ARG ARG ARG ARG SER TRP TYR 0.459016 0.661538
46 THR SER THR THR SER VAL ALA SER SER TRP 0.457627 0.814815
47 ALA LEU ASP LYS TRP ASP 0.45614 0.75
48 LYS TYR LYS 0.452632 0.679245
49 PHE LEU SER TYR LYS 0.451327 0.706897
50 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.45098 0.676923
51 TYR GLN PHE 0.45 0.76
52 MET ASN TRP ASN ILE 0.449541 0.745455
53 THR ASN GLU PHE TYR ALA 0.447368 0.727273
54 ASP TRP GLU ILE VAL 0.444444 0.807692
55 MET LEU ILE TYR SER MET TRP GLY LYS 0.442177 0.712121
56 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.440678 0.781818
57 ALA PRO ALA TRP LEU PHE GLU ALA 0.439716 0.68254
58 PHE LEU ALA TYR LYS 0.438596 0.773585
59 R59 0.4375 0.711538
60 R38 0.4375 0.711538
61 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.436508 0.676923
62 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.43125 0.621622
63 0ZN 0.431193 0.84
64 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.430464 0.676471
65 TRP GLU GLU LEU 0.429907 0.823529
66 GLU GLN TYR LYS PHE TYR SER VAL 0.429752 0.683333
67 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.427711 0.626667
68 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.427632 0.746032
69 GLU LEU GLU LYS TRP ALA SER 0.427419 0.741379
70 ARG TYR PRO LEU THR PHE GLY TRP 0.426752 0.643836
71 THR LYS ASN TYR LYS GLN PHE SER VAL 0.42623 0.672131
72 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.425 0.61194
73 PCA LYS TRP 0.424779 0.727273
74 LSW 0.423423 0.709091
75 X95 0.423423 0.709091
76 ALA LEU ASP LYS TRP ALA SER 0.422764 0.728814
77 GLU ALA ASP LYS TRP GLN SER 0.421875 0.683333
78 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.42069 0.68254
79 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.420635 0.68254
80 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.420168 0.6
81 GLU ASN LEU TYR PHE GLN 0.418803 0.745455
82 TI2 0.418367 0.734694
83 TRP GLU TYR ILE PRO ASN VAL 0.417808 0.701493
84 ASP PHE GLU ASP TYR GLU PHE ASP 0.415929 0.730769
85 GLU LEU ASP LYS TRP ALA SER 0.414062 0.728814
86 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.414062 0.609375
87 GLU ASN ASP LYS TRP ALA SER 0.414062 0.672131
88 ALA SER ASN GLU ASN TRP GLU THR MET 0.412214 0.671875
89 ACE TRP HIS THR ALA NH2 NH2 0.411765 0.777778
90 GLU GLN ASP LYS TRP ALA SER 0.410853 0.683333
91 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.409091 0.69697
92 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.408163 0.68254
93 ALA LEU ASP LEU PHE 0.408163 0.66
94 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.407692 0.671875
95 GLU LEU ASP ORN TRP ALA SER 0.407692 0.741379
96 TYR GLY GLY PHE LEU 0.40708 0.759259
97 PCA GLN TRP 0.40708 0.754717
98 ASP ASN TRP GLN ASN GLY THR SER 0.406015 0.7
99 GM6 0.40566 0.677966
100 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.40458 0.745455
101 THR PRO ASP TYR PHE LEU 0.401709 0.803571
102 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.40146 0.666667
103 GLN GLU GLU TRP SEP THR VAL MET 0.40146 0.637681
104 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.4 0.6
105 TRP GLY 0.4 0.673077
106 GLU LEU ASP LYS TRP ALA ASN 0.4 0.711864
Similar Binding Sites (Proteins are less than 50% similar to leader)
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