Receptor
PDB id Resolution Class Description Source Keywords
4GC2 2.12 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BACTERIOCIN LLPA FROM PSEUDOMONAS S COMPLEX WITH GLCNAC BETA(1-2)MAN ALPHA(1-3)[GLCNAC BETA(1-2A LPHA(1-6)]MAN PSEUDOMONAS SP. BW11M1 MONOCOT-LECTIN FOLD BACTERIOCIN MANNOSE BASED CARBOHYDRATEANTIMICROBIAL PROTEIN
Ref.: STRUCTURAL DETERMINANTS FOR ACTIVITY AND SPECIFICIT BACTERIAL TOXIN LLPA. PLOS PATHOG. V. 9 03199 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN MAN MAN NAG NAG C:1;
 Valid;
 none;
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910.826 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GC1 2.08 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BACTERIOCIN LLPA FROM PSEUDOMONAS S COMPLEX WITH MAN ALPHA(1-2)MAN PSEUDOMONAS SP. BW11M1 MONOCOT-LECTIN FOLD BACTERIOCIN MANNOSE BASED CARHYDRATESANTIMICROBIAL PROTEIN
Ref.: STRUCTURAL DETERMINANTS FOR ACTIVITY AND SPECIFICIT BACTERIAL TOXIN LLPA. PLOS PATHOG. V. 9 03199 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4GC1 - MAN MAN n/a n/a
2 4GC2 - MAN MAN MAN NAG NAG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4GC1 - MAN MAN n/a n/a
2 4GC2 - MAN MAN MAN NAG NAG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4GC1 - MAN MAN n/a n/a
2 4GC2 - MAN MAN MAN NAG NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN MAN NAG NAG; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN NAG NAG 1 1
2 BMA MAN MAN NAG GAL NAG 0.847059 1
3 BMA Z4Y NAG 0.682353 0.918367
4 NDG BMA MAN MAN NAG GAL NAG 0.663265 0.979592
5 NAG NAG BMA MAN MAN NAG GAL NAG 0.656566 0.979592
6 NAG NAG BMA MAN MAN NAG NAG 0.643564 0.90566
7 MMA MAN NAG MAN NAG NAG 0.640449 0.96
8 YZ0 MAN MAN NAG MAN 0.623656 0.938776
9 MMA MAN NAG 0.614458 0.938776
10 NAG BMA MAN MAN NAG GAL NAG GAL 0.612245 0.979592
11 MAN MAN MAN MAN MAN MAN MAN 0.609195 0.6875
12 MAN MAN NAG 0.6 0.9
13 NDG BMA MAN MAN NAG MAN MAN 0.592233 1
14 GAL NGA A2G 0.578313 1
15 BMA MAN NAG 0.569767 0.9375
16 NAG NAG BMA MAN NAG 0.568421 0.979592
17 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.567568 0.888889
18 NAG ASN NAG BMA MAN MAN NAG NAG 0.567568 0.872727
19 C4W NAG FUC BMA MAN MAN NAG NAG 0.557522 0.923077
20 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.551402 1
21 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.544554 0.9375
22 YZ0 MAN Z4Y NAG MAN 0.542056 0.884615
23 MAN NAG 0.5375 0.9375
24 GAL NAG 0.536585 0.9375
25 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.533898 0.827586
26 GLA NAG GAL FUC 0.526882 0.958333
27 GDL NAG 0.52439 1
28 C4W NAG FUC BMA MAN NAG 0.508929 0.923077
29 C4W NAG FUC BMA MAN MAN NAG 0.508475 0.923077
30 A2G NAG 0.506024 1
31 GAL NAG GAL 0.505618 0.9375
32 NAG NAG NAG NAG NAG 0.5 0.979592
33 BGC GAL NGA 0.5 0.9375
34 NAG NAG NAG NAG NAG NAG 0.5 0.979592
35 GYP GZL NAG 0.5 0.884615
36 NAG NAG NAG NAG NAG NAG NAG NAG 0.5 0.979592
37 NDG NAG NAG NAG NAG 0.5 0.979592
38 MAN BMA MAN MAN MAN MAN MAN 0.494845 0.693878
39 BGC GAL NAG 0.494505 0.9375
40 NAG GAL NAG 0.494505 1
41 NDG NAG 0.494118 0.979592
42 GAL NGA 0.494118 0.88
43 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.490385 0.9375
44 GAL NAG GAL FUC FUC 0.489796 0.938776
45 MBG NAG 0.488095 0.938776
46 NAG NAG FUL BMA MAN MAN NAG GAL 0.487179 0.90566
47 NAG NAG BMA MAN MAN MAN MAN 0.486726 0.923077
48 BGC FUC GAL FUC A2G 0.484848 0.938776
49 BGC GAL GLA NGA 0.484211 0.9375
50 A2G GAL NAG 0.483871 1
51 GAL FUC A2G 0.483516 0.958333
52 MBG A2G 0.482353 0.938776
53 GAL NAG GAL NAG GAL 0.478723 1
54 BGC GAL NAG NAG GAL GAL 0.475728 1
55 BGC FUC GAL NAG 0.474747 0.958333
56 C4W NAG FUC BMA MAN NAG GAL 0.469565 0.827586
57 BGC GAL FUC A2G 0.465347 0.958333
58 BMA MAN MAN 0.464286 0.6875
59 NAG NAG NAG 0.462366 0.90566
60 NAG NAG NAG NAG NAG NAG NAG 0.462366 0.90566
61 NAG NAG NAG NAG 0.462366 0.90566
62 MAN MAN MAN MAN MAN MAN MAN MAN 0.460784 0.611111
63 AMU NAG 0.452632 0.96
64 3QL 0.450549 0.923077
65 NAG NAG MAN MAN MAN 0.447619 1
66 NAG GAL FUC A2G 0.44086 0.958333
67 GAL 2NA NAG 0.440367 0.833333
68 Z3Q NGA 0.4375 0.813559
69 AH0 NAG 0.4375 0.888889
70 NAG GAL FUC 0.43617 0.958333
71 NDG GLA GLC NAG GLC RAM 0.434783 0.979592
72 NDG GLA NAG GLC RAM 0.433628 0.979592
73 NDG NAG GLA NAG GLC RAM 0.433628 0.979592
74 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.432692 0.62963
75 MAN MAN MAN 0.430108 0.673469
76 MAN NAG GAL 0.430108 0.9375
77 6Y2 0.43 0.75
78 NAG NGT NAG 0.43 0.813559
79 NAG NOJ NAG NAG 0.428571 0.857143
80 Z4S NAG NAG 0.428571 0.90566
81 NAG FUC GAL FUC A2G 0.428571 0.979592
82 NAG GAL FUC FUC A2G 0.428571 0.979592
83 NAG NOJ NAG 0.428571 0.872727
84 HSH A2G FUC 0.427184 0.807018
85 NGT NAG 0.427083 0.79661
86 GLC GAL NAG GAL FUC A2G 0.424779 0.979592
87 BGC GAL NAG GAL FUC 0.424528 0.958333
88 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.423841 0.786885
89 GAL NAG GAL FUC 0.421569 0.92
90 2F8 0.417722 0.877551
91 MAG 0.417722 0.877551
92 AMV NAG AMU NAG 0.417476 0.941176
93 FHY 0.417476 0.90566
94 NM9 NAG 0.416667 0.941176
95 NAG AH0 0.415842 0.888889
96 LEC NGA 0.415842 0.75
97 NAG BMA MAN MAN MAN MAN MAN 0.414141 0.686275
98 NAG BDP NAG BDP NAG BDP NAG 0.413462 0.96
99 NDG FUC GAL FUC 0.412371 0.938776
100 NAG GAL FUC FUC 0.412371 0.938776
101 NAG GAL BGC GAL 0.412371 0.9375
102 NAG GAL GLC NAG GLC RAM 0.411765 1
103 BGC FUC GAL NAG GAL 0.407407 0.958333
104 3YW 0.406977 0.857143
105 NAG NGO 0.40625 0.87037
106 GAL NAG FUC GAL 0.405941 0.958333
107 NAG BMA MAN MAN MAN MAN 0.40566 0.9375
108 1GN ACY GAL 1GN BGC ACY GAL BGC 0.40566 1
109 NAG GAL NAG GAL NAG GAL 0.40404 0.979592
110 NAG GAL NAG GAL 0.40404 1
111 SN5 SN5 0.4 0.826923
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN MAN NAG NAG; 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 : 4GC1; Ligand: MAN MAN; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 4gc1.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1KJ1 MAN 43.1193
2 1KJ1 MAN 43.1193
3 1KJ1 MAN 43.1193
4 1KJ1 MAN 43.1193
5 1KJ1 MAN 43.1193
6 1KJ1 MAN 43.1193
7 1KJ1 MAN 43.1193
8 1KJ1 MAN 43.1193
9 1KJ1 MAN 43.1193
10 1KJ1 MAN 43.1193
11 4OIT MAN 47.7876
12 4OIT MAN 47.7876
13 4OIT MAN 47.7876
14 4OIT MAN 47.7876
15 4OIT MAN 47.7876
16 4OIT MAN 47.7876
17 4OIT MAN 47.7876
18 4OIT MAN 47.7876
19 4OIT BMA 47.7876
20 4OIT MAN 47.7876
21 4OIT MAN 47.7876
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