Receptor
PDB id Resolution Class Description Source Keywords
2FGE 2.1 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF PRESEQUENCE PROTEASE PREP FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PEPTIDASOME; PROTEASE-PEPTIDE COMPLEX HYDROLASE PLANT PROTEIN
Ref.: THE CLOSED STRUCTURE OF PRESEQUENCE PROTEASE PREP FORMS A UNIQUE 10 000 A(3) CHAMBER FOR PROTEOLYSIS EMBO J. V. 25 1977 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ALA LEU THR ARG ALA D:1;
E:1;
Valid;
Valid;
none;
none;
submit data
587.723 n/a O=C(N...
CL A:997;
B:997;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:998;
A:999;
B:998;
B:999;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
ZN A:996;
B:996;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FGE 2.1 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF PRESEQUENCE PROTEASE PREP FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PEPTIDASOME; PROTEASE-PEPTIDE COMPLEX HYDROLASE PLANT PROTEIN
Ref.: THE CLOSED STRUCTURE OF PRESEQUENCE PROTEASE PREP FORMS A UNIQUE 10 000 A(3) CHAMBER FOR PROTEOLYSIS EMBO J. V. 25 1977 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 2FGE - ALA ALA LEU THR ARG ALA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 2FGE - ALA ALA LEU THR ARG ALA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2FGE - ALA ALA LEU THR ARG ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ALA LEU THR ARG ALA; Similar ligands found: 104
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA LEU THR ARG ALA 1 1
2 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.686047 0.938776
3 ALA ARG THR M3L GLN THR ALA ARG LYS 0.597938 0.8
4 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.575758 0.786885
5 ALA ARG THR ALY GLN THR ALA 0.575758 0.851852
6 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.564356 0.813559
7 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.556818 0.8
8 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.540541 0.796296
9 ALA ARG THR LYS GLN THR ALA ARG LYS 0.537736 0.884615
10 GLU ALA GLN THR ARG LEU 0.528302 0.96
11 ALA ARG THR LYS GLN THR ALA ARG 0.525253 0.901961
12 ALA ARG 9AT 0.52439 0.958333
13 ASN ARG LEU LEU LEU THR GLY 0.520408 0.923077
14 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.518182 0.839286
15 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.515464 0.92
16 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.514019 0.923077
17 ALA ARG THR M3L GLN THR ALA ARG 0.514019 0.774194
18 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.509804 0.827586
19 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.509615 0.786885
20 ACE ALA ARG THR LYS GLN 0.50505 0.92
21 ACE GLU ALA GLN THR ARG LEU 0.504673 0.941176
22 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.5 0.854545
23 ALA ARG THR MLY GLN THR ALA ARG LYS 0.5 0.827586
24 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.494253 0.836735
25 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.491667 0.69697
26 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.486957 0.774194
27 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.481818 0.941176
28 ASP LEU THR ARG PRO 0.481818 0.75
29 MET ABA LEU ARG MET THR ALA VAL MET 0.478632 0.872727
30 LYS ALA ALA ARG M3L SER ALA 0.477064 0.770492
31 ARG ARG ALA THR LYS MET NH2 0.477064 0.854545
32 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.476636 0.823529
33 THR ARG ARG GLU THR GLN LEU 0.47619 0.923077
34 ALA GLN THR ALA ARG ALY SER THR 0.473684 0.836364
35 ALA ILE ARG SER 0.473684 0.88
36 ASN ARG LEU MET LEU THR GLY 0.472222 0.857143
37 ALA ARG THR MLY GLN 0.471154 0.813559
38 ARG ARG ARG GLU THR GLN VAL 0.470588 0.903846
39 GLN THR ALA ARG M3L SER 0.469027 0.774194
40 ALA ARG THR GLU LEU TYR ARG SER LEU 0.467213 0.813559
41 MET CYS LEU ARG MET THR ALA VAL MET 0.466667 0.872727
42 ASN ARG LEU ILE LEU THR GLY 0.466019 0.862745
43 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.465517 0.810345
44 ALA MET ALA PRO ARG THR LEU LEU LEU 0.459677 0.705882
45 MET CYS LEU ARG NLE THR ALA VAL MET 0.455285 0.857143
46 ALA ARG LYS LEU ASP 0.454545 0.846154
47 ACE ARG LYS VAL ARG MET 5XU 0.452632 0.807692
48 ACE GLN THR ALA ARG PRK SER THR 0.452174 0.836364
49 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.451613 0.774194
50 LYS PRO VAL LEU ARG THR ALA 0.451613 0.761905
51 ARG ARG ALA ALA 0.450549 0.82
52 ACE CSO ARG ALA THR LYS MET LEU 0.45 0.75
53 ACE GLN THR ALA ARG BTK SER THR 0.447368 0.87037
54 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.444444 0.82
55 GLN ARG ALA THR LYS MET NH2 0.443478 0.854545
56 GLN THR ALA ARG M3L SER THR GLY 0.441667 0.774194
57 PHQ LEU VAL ARG TYR 0.440678 0.737705
58 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.439394 0.786885
59 ALA LEU SER ARG 0.439024 0.714286
60 ARG ILE ALA ALA ALA 0.438202 0.816327
61 ALA THR PRK ALA ALA ARG LYS SER 0.438095 0.740741
62 ALA LYS ALA ILE ALA 0.4375 0.7
63 ACE GLN THR ALA ARG KCR SER THR 0.436975 0.851852
64 ALA LYS ALA ALA 0.436782 0.693878
65 VAL ALA ARG SER 0.43617 0.88
66 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.435644 0.836364
67 ASP ALA GLU PHE ARG HIS ASP 0.434783 0.792453
68 LYS GLN THR ALA ARG M3L SER THR GLY 0.433628 0.774194
69 ALA THR ARG ASN PHE SER GLY 0.432203 0.821429
70 ALA LEU SER ARG GLN 0.428571 0.714286
71 ALA ALA SER ALA SER ALA 0.428571 0.7
72 ALA ARG LYS ILE ASP ASN LEU ASP 0.425 0.803571
73 ALA ARG M3L SER 0.424242 0.737705
74 ARG ASP ALA ALA 0.423913 0.82
75 ARG ARG LEU ILE PHE NH2 0.423423 0.792453
76 THR ALA ARG MYK SER THR GLY 0.422764 0.824561
77 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.420635 0.774194
78 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.42029 0.727273
79 ACE ALA ARG THR GLU VAL TYR NH2 0.420168 0.839286
80 ALA PHE ARG ILE PRO LEU THR ARG 0.419118 0.716418
81 LYS LYS ARG LEU SER VAL GLU 0.416667 0.921569
82 PHE TYR ARG ALA LEU MET 0.416 0.737705
83 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.414966 0.648649
84 ALA ARG THR MLY GLN THR ALA ARG TYR 0.412698 0.727273
85 THR PRO ARG ARG SER MLZ SER ALA 0.411765 0.691176
86 ALA CIR GLY LEU THR GLY ARG HYP GLY 0.410853 0.738462
87 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.410448 0.762712
88 PTR LEU ARG VAL ALA 0.410256 0.698413
89 ALA MET ARG VAL 0.408163 0.807692
90 ALA ILE LEU HIS ARG LEU LEU GLN 0.408 0.7
91 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.407407 0.846154
92 LEU GLU LYS ALA ARG GLY SER THR TYR 0.407143 0.786885
93 ARG LEU GLY GLU SER 0.406593 0.82
94 GLU ARG THR ILE PRO ILE THR ARG GLU 0.406504 0.734375
95 VAL ALA PHE ARG SER 0.405405 0.846154
96 LYS THR LYS LEU LEU 0.40404 0.823529
97 ALA THR ILE MET MET GLN ARG GLY 0.403846 0.611111
98 ARG ASP ARG ALA ALA LYS LEU 0.403846 0.843137
99 GLY ARG LEU LEU PRO 0.40367 0.677419
100 GLY LEU GLY ALY GLY GLY ALA ALY ALA 0.401786 0.666667
101 OSL DLE THR ARG GLU LEU YNM VAL 0.4 0.615385
102 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.4 0.803922
103 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.4 0.701754
104 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ALA LEU THR ARG ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FGE; Ligand: ALA ALA LEU THR ARG ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2fge.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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