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 218 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 176 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 143 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: 96
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA LEU THR ARG ALA 1 1
2 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.662921 0.888889
3 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.65625 0.884615
4 ALA ARG THR ALY GLN THR ALA 0.575758 0.851852
5 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.57 0.786885
6 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.57 0.813559
7 ALA ARG THR MLY GLN THR ALA 0.57 0.813559
8 ALA ARG THR M3L GLN THR ALA 0.57 0.786885
9 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.57 0.786885
10 ALA ARG THR LYS GLN THR ALA ARG LYS 0.553398 0.884615
11 ALA ARG THR LYS GLN THR ALA ARG 0.553398 0.884615
12 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.541284 0.796296
13 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.541284 0.796296
14 GLU ALA GLN THR ARG LEU 0.528846 0.96
15 ALA ARG THR MLY GLN THR ALA ARG LYS 0.527778 0.813559
16 ASN ARG LEU LEU LEU THR GLY 0.526882 0.941176
17 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.520833 0.92
18 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.514852 0.827586
19 ALA ARG THR M3L GLN THR ALA ARG 0.514019 0.774194
20 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.512821 0.786885
21 ALA ARG THR M3L GLN THR ALA ARG LYS 0.504762 0.786885
22 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.504762 0.854545
23 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.5 0.836364
24 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.495575 0.774194
25 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.495327 0.923077
26 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.494737 0.849057
27 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.491071 0.824561
28 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.488372 0.836735
29 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.486239 0.941176
30 MET ABA LEU ARG MET THR ALA VAL MET 0.482456 0.872727
31 ALA ARG THR MLY GLN 0.480392 0.813559
32 ALA ARG THR GLU LEU TYR ARG SER LEU 0.475 0.813559
33 ALA PRO ALA LEU ARG VAL VAL LYS 0.474747 0.843137
34 ALA GLN THR ALA ARG ALY SER THR 0.473684 0.836364
35 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.471698 0.823529
36 MET CYS LEU ARG MET THR ALA VAL MET 0.470085 0.872727
37 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.468085 0.82
38 ASN ARG LEU MET LEU THR GLY 0.46789 0.857143
39 ARG ARG ALA THR LYS MET NH2 0.46729 0.854545
40 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.467213 0.774194
41 THR ARG ARG GLU THR GLN LEU 0.466667 0.923077
42 ALA MET ALA PRO ARG THR LEU LEU LEU 0.463415 0.705882
43 ALA ILE ARG SER 0.463158 0.88
44 ALA ARG THR MLY GLN THR ALA ARG TYR 0.46281 0.727273
45 ASP LEU THR ARG PRO 0.459459 0.75
46 LYS ALA ALA ARG M3L SER ALA 0.458716 0.770492
47 PHE GLU ALA LYS LYS LEU VAL 0.456522 0.686275
48 ACE ALA ARG THR LYS GLN 0.455446 0.92
49 MET CYS LEU ARG NLE THR ALA VAL MET 0.454545 0.857143
50 LYS PRO VAL LEU ARG THR ALA 0.454545 0.761905
51 GLN ARG ALA THR LYS MET NH2 0.454545 0.854545
52 ACE ARG LYS VAL ARG MET 5XU 0.452632 0.807692
53 ACE CSO ARG ALA THR LYS MET LEU 0.45 0.75
54 ASN ARG LEU ILE LEU THR GLY 0.447619 0.843137
55 ALA LYS ALA ALA 0.447059 0.653061
56 ALA LYS ALA ILE ALA 0.446809 0.66
57 ALA THR PRK ALA ALA ARG LYS SER 0.446602 0.722222
58 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.446154 0.786885
59 LYS GLN THR ALA ARG M3L SER THR GLY 0.442478 0.774194
60 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.435484 0.786885
61 ACE GLN THR ALA ARG KCR SER THR 0.434426 0.836364
62 GLN THR ALA ARG M3L SER THR GLY 0.433333 0.774194
63 VAL ALA ARG SER 0.430108 0.88
64 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.429752 0.723077
65 ARG ARG ALA ALA 0.428571 0.82
66 ALA ALA SER ALA SER ALA 0.428571 0.68
67 ALA ARG LYS ILE ASP ASN LEU ASP 0.42735 0.803571
68 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.423913 0.784314
69 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.423529 0.612245
70 ALA THR ARG ASN PHE SER GLY 0.420168 0.821429
71 ALA 2MR THR MLY GLN THR ALA ALA 0.420168 0.8
72 ALA THR VAL ARG THR TYR SER CYS 0.420168 0.810345
73 ARG ASP ARG ALA ALA LYS LEU 0.42 0.843137
74 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.419118 0.727273
75 ACE ALA ARG THR GLU VAL TYR NH2 0.418803 0.839286
76 LEU LYS THR LYS LEU LEU 0.418367 0.784314
77 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.417476 0.684211
78 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.416667 0.762712
79 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.412371 0.862745
80 LYS THR LYS LEU LEU 0.412371 0.784314
81 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.411765 0.694915
82 PHE TYR ARG ALA LEU MET 0.41129 0.737705
83 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.41129 0.774194
84 THR ALA ARG MYK SER THR GLY 0.41129 0.824561
85 ALA ARG M3L SER 0.41 0.737705
86 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.408696 0.839286
87 ALA THR LYS ILE ASP ASN LEU ASP 0.408696 0.745455
88 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.408 0.709677
89 ALA LYS ALA SER GLN ALA ALA 0.405941 0.764706
90 OSL DLE THR ARG GLU LEU YNM VAL 0.404255 0.631579
91 ALA THR ILE MET MET GLN ARG GLY 0.403846 0.611111
92 ALA ALA GLY ILE GLY ILE LEU THR VAL 0.40367 0.75
93 ARG ASP ALA ALA 0.402174 0.82
94 ARG ILE ALA ALA ALA 0.402174 0.816327
95 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.401869 0.846154
96 PTR LEU ARG VAL ALA 0.401709 0.698413
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: 8
This union binding pocket(no: 1) in the query (biounit: 2fge.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4C2C ALA ALA ALA 0.03081 0.40468 1.56951
2 3KU0 ADE 0.02402 0.40031 3.58566
3 4OYA 1VE 0.0142 0.43029 3.82979
4 1J1R ADE 0.02146 0.40254 4.21456
5 4RHS SIA SIA GAL 0.02928 0.40502 5.7377
6 1WLJ U5P 0.03014 0.401 10.0529
7 4XCP PLM 0.01707 0.40732 14.1176
8 1JOC ITP 0.003531 0.41985 15.2
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