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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 253 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 209 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 173 families.
1 2FGE - ALA ALA LEU THR ARG ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ALA LEU THR ARG ALA; Similar ligands found: 113
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 4WQ GLN THR ALA ARG LYS SER 0.662921 0.888889
4 ALA ARG THR M3L GLN THR ALA 0.575758 0.786885
5 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.575758 0.786885
6 ALA ARG THR ALY GLN THR ALA 0.575758 0.851852
7 ALA ARG THR MLY GLN THR ALA 0.564356 0.813559
8 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.564356 0.813559
9 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.556818 0.8
10 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.540541 0.796296
11 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.540541 0.796296
12 ALA ARG THR LYS GLN THR ALA ARG LYS 0.537736 0.884615
13 GLU ALA GLN THR ARG LEU 0.528302 0.96
14 ALA ARG THR LYS GLN THR ALA ARG 0.525253 0.901961
15 ALA ARG 9AT 0.52439 0.958333
16 ASN ARG LEU LEU LEU THR GLY 0.521277 0.96
17 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.518182 0.839286
18 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.515464 0.92
19 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.514019 0.923077
20 ALA ARG THR M3L GLN THR ALA ARG 0.514019 0.774194
21 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.509804 0.827586
22 ALA ARG THR M3L GLN THR ALA ARG LYS 0.509615 0.786885
23 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.509615 0.786885
24 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.509259 0.8
25 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.505155 0.836364
26 ACE ALA ARG THR LYS GLN 0.50505 0.92
27 ACE GLU ALA GLN THR ARG LEU 0.504673 0.941176
28 ALA ARG THR MLY GLN THR ALA ARG LYS 0.5 0.827586
29 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.5 0.854545
30 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.494253 0.836735
31 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.491667 0.69697
32 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.486957 0.774194
33 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.486486 0.941176
34 ASP LEU THR ARG PRO 0.481818 0.75
35 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.479167 0.82
36 MET ABA LEU ARG MET THR ALA VAL MET 0.478632 0.872727
37 LYS ALA ALA ARG M3L SER ALA 0.477064 0.770492
38 ARG ARG ALA THR LYS MET NH2 0.477064 0.854545
39 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.476636 0.823529
40 THR ARG ARG GLU THR GLN LEU 0.47619 0.923077
41 ALA ILE ARG SER 0.473684 0.88
42 ALA GLN THR ALA ARG ALY SER THR 0.473684 0.836364
43 ASN ARG LEU MET LEU THR GLY 0.472222 0.857143
44 ALA ARG THR MLY GLN 0.471154 0.813559
45 ALA ARG THR MLY GLN THR ALA ARG TYR 0.471074 0.727273
46 ALA PRO ALA LEU ARG VAL VAL LYS 0.470588 0.843137
47 ARG ARG ARG GLU THR GLN VAL 0.470588 0.903846
48 GLN THR ALA ARG M3L SER 0.469027 0.774194
49 ACE ARG LYS VAL ARG MET 5XU 0.468085 0.807692
50 ALA ARG THR GLU LEU TYR ARG SER LEU 0.467213 0.813559
51 MET CYS LEU ARG MET THR ALA VAL MET 0.466667 0.872727
52 ASN ARG LEU ILE LEU THR GLY 0.466019 0.862745
53 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.465517 0.810345
54 ALA MET ALA PRO ARG THR LEU LEU LEU 0.459677 0.705882
55 LYS GLN THR ALA ARG M3L SER THR GLY 0.459459 0.774194
56 MET CYS LEU ARG NLE THR ALA VAL MET 0.455285 0.857143
57 ALA ARG LYS LEU ASP 0.454545 0.846154
58 ACE GLN THR ALA ARG PRK SER THR 0.452174 0.836364
59 LYS PRO VAL LEU ARG THR ALA 0.451613 0.761905
60 ARG ARG ALA ALA 0.450549 0.82
61 ACE CSO ARG ALA THR LYS MET LEU 0.45 0.75
62 ACE GLN THR ALA ARG BTK SER THR 0.447368 0.87037
63 GLN ARG ALA THR LYS MET NH2 0.443478 0.854545
64 GLN THR ALA ARG M3L SER THR GLY 0.441667 0.774194
65 PHQ LEU VAL ARG TYR 0.440678 0.737705
66 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.439394 0.786885
67 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.439024 0.786885
68 ARG ILE ALA ALA ALA 0.438202 0.816327
69 ALA THR PRK ALA ALA ARG LYS SER 0.438095 0.740741
70 ALA LYS ALA ILE ALA 0.4375 0.7
71 ACE GLN THR ALA ARG KCR SER THR 0.436975 0.851852
72 ALA LYS ALA ALA 0.436782 0.693878
73 VAL ALA ARG SER 0.43617 0.88
74 ARG ASP ARG ALA ALA LYS LEU 0.435644 0.843137
75 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.435484 0.711864
76 ASP ALA GLU PHE ARG HIS ASP 0.434783 0.792453
77 ALA THR ARG ASN PHE SER GLY 0.432203 0.821429
78 PHE GLU ALA LYS LYS LEU VAL 0.431579 0.72549
79 ALA ALA SER ALA SER ALA 0.428571 0.7
80 ALA THR VAL ARG THR TYR SER CYS 0.428571 0.810345
81 ALA ARG LYS ILE ASP ASN LEU ASP 0.425 0.803571
82 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.424779 0.839286
83 ALA ARG M3L SER 0.424242 0.737705
84 ARG ASP ALA ALA 0.423913 0.82
85 ARG ARG LEU ILE PHE NH2 0.423423 0.792453
86 THR ALA ARG MYK SER THR GLY 0.422764 0.824561
87 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.420635 0.774194
88 ACE ALA ARG THR GLU VAL TYR NH2 0.420168 0.839286
89 ALA PHE ARG ILE PRO LEU THR ARG 0.419118 0.716418
90 PHE TYR ARG ALA LEU MET 0.416 0.737705
91 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.414966 0.648649
92 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.413534 0.677419
93 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.412844 0.688525
94 THR PRO ARG ARG SER MLZ SER ALA 0.411765 0.691176
95 ALA CIR GLY LEU THR GLY ARG HYP GLY 0.410853 0.738462
96 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.410448 0.762712
97 PTR LEU ARG VAL ALA 0.410256 0.698413
98 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.41 0.862745
99 ALA MET ARG VAL 0.408163 0.807692
100 ALA ILE LEU HIS ARG LEU LEU GLN 0.408 0.7
101 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.407407 0.846154
102 LEU GLU LYS ALA ARG GLY SER THR TYR 0.407143 0.786885
103 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.406977 0.632653
104 ARG LEU GLY GLU SER 0.406593 0.82
105 GLU ARG THR ILE PRO ILE THR ARG GLU 0.406504 0.734375
106 VAL ALA PHE ARG SER 0.405405 0.846154
107 LYS THR LYS LEU LEU 0.40404 0.823529
108 ALA THR ILE MET MET GLN ARG GLY 0.403846 0.611111
109 GLY LEU GLY ALY GLY GLY ALA ALY ALA 0.401786 0.666667
110 OSL DLE THR ARG GLU LEU YNM VAL 0.4 0.615385
111 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.4 0.701754
112 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.4 0.803922
113 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.4 0.75
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: 26
This union binding pocket(no: 1) in the query (biounit: 2fge.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2XXP DSL 1.50754
2 4C2C ALA ALA ALA 1.56951
3 4BXK 1IU 2.7027
4 5VKM GAL SIA 2.77778
5 5A04 BGC 2.94985
6 3SBZ MLI 3.57143
7 3KU0 ADE 3.58566
8 4OYA 1VE 3.82979
9 1J1R ADE 4.21456
10 3QX9 ATP 4.34783
11 4HA6 FAD 4.52756
12 5WHT SIA GAL GLC 5.07246
13 5WHT SIA 5.07246
14 5WHT SIA GAL 5.07246
15 4CA5 3EF 5.26316
16 4RHS SIA SIA GAL 5.7377
17 3HRD NIO 5.74324
18 1XXA ARG 6.41026
19 5URY PAM 7.53425
20 4LO6 SIA GAL 8.42105
21 1WLJ U5P 10.0529
22 3KP6 SAL 10.596
23 5LWY OLB 13.4454
24 3RLB VIB 14.0625
25 4XCP PLM 14.1176
26 1JOC ITP 15.2
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