Receptor
PDB id Resolution Class Description Source Keywords
2AUY 1.95 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN IN COMPLEX WITH THE TRISACCHAR GLCNAC(B1-2)MAN(A1-3)MAN PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE SUGAR LEGUME LECTIN SUGAR BINDING PR
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:273;
B:274;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:271;
B:272;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
MMA MAN NAG C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
559.518 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AUY 1.95 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN IN COMPLEX WITH THE TRISACCHAR GLCNAC(B1-2)MAN(A1-3)MAN PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE SUGAR LEGUME LECTIN SUGAR BINDING PR
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2AUY - MMA MAN NAG 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 426 families.
1 2AUY - MMA MAN NAG 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 322 families.
1 2AUY - MMA MAN NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MMA MAN NAG; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA MAN NAG 1 1
2 MBG NAG 0.825397 1
3 YZ0 MAN MAN NAG MAN 0.719512 1
4 MMA MAN NAG MAN NAG NAG 0.658537 0.94
5 NAG NAG BMA MAN NAG 0.654762 0.92
6 MAN MAN NAG 0.636364 0.918367
7 YZ0 MAN Z4Y NAG MAN 0.614583 0.94
8 MAN MAN MAN NAG NAG 0.614458 0.938776
9 MBG A2G 0.611111 1
10 MAN NAG 0.591549 0.957447
11 BGC GAL NAG 0.575 0.957447
12 NAG GAL NAG 0.575 0.938776
13 GAL NGA A2G 0.551282 0.938776
14 2F8 0.545455 0.93617
15 MAG 0.545455 0.93617
16 BGC GAL GLA NGA 0.541176 0.957447
17 NDG NAG 0.539474 0.92
18 A2G NAG 0.533333 0.938776
19 GDL NAG 0.533333 0.938776
20 BMA MAN MAN NAG GAL NAG 0.53125 0.938776
21 NDG BMA MAN MAN NAG GAL NAG 0.53 0.92
22 NAG NAG BMA MAN MAN NAG GAL NAG 0.524752 0.92
23 NDG BMA MAN MAN NAG MAN MAN 0.524752 0.938776
24 BMA MAN NAG 0.52439 0.957447
25 GAL NGA 0.519481 0.897959
26 NM9 NAG 0.518072 0.921569
27 NAG NAG BMA MAN MAN NAG NAG 0.514563 0.851852
28 BGC FUC GAL NAG 0.511111 0.978723
29 MBG GAL 0.507246 0.744681
30 NAG NAG NAG NAG NAG 0.506329 0.92
31 NAG NAG NAG NAG NAG NAG 0.506329 0.92
32 NDG NAG NAG NAG NAG 0.506329 0.92
33 NAG NAG NAG NAG NAG NAG NAG NAG 0.506329 0.92
34 GAL FUC A2G 0.506024 0.978723
35 GLA NAG GAL FUC 0.5 0.978723
36 AMV NAG AMU NAG 0.494505 0.921569
37 LEC NGA 0.494382 0.707692
38 BMA Z4Y NAG 0.494382 0.9375
39 GYP GZL NAG 0.48913 0.94
40 3QL 0.487805 0.867925
41 BGC GAL NGA 0.487805 0.957447
42 BGC GAL NAG GAL FUC 0.484211 0.978723
43 BGC GAL FUC A2G 0.483871 0.978723
44 GLC GAL NAG GAL FUC A2G 0.480392 0.92
45 NAG BMA MAN MAN NAG GAL NAG GAL 0.48 0.92
46 6Y2 0.477778 0.707692
47 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.477477 0.836364
48 NAG ASN NAG BMA MAN MAN NAG NAG 0.477477 0.821429
49 MAG GAL FUC FUC 0.476744 0.979167
50 MAG FUC GAL FUC 0.476744 0.979167
51 BGC FUC GAL FUC A2G 0.473118 0.958333
52 AMU NAG 0.471264 0.901961
53 C4W NAG FUC BMA MAN MAN NAG NAG 0.469027 0.867925
54 GAL NAG GAL NAG GAL 0.465909 0.938776
55 NAG GAL NAG GAL 0.465909 0.938776
56 NAG GAL NAG GAL NAG GAL 0.465909 0.92
57 NAG NAG NAG NAG 0.465116 0.851852
58 NAG NAG NAG 0.465116 0.851852
59 NAG NAG NAG NAG NAG NAG NAG 0.465116 0.851852
60 MA8 0.4625 0.811321
61 FHY 0.462366 0.886792
62 NAG BMA MAN MAN MAN MAN MAN 0.460674 0.734694
63 NAG FUC GAL FUC A2G 0.458333 0.92
64 NAG GAL FUC FUC A2G 0.458333 0.92
65 GAL 2NA NAG 0.455446 0.849057
66 MGC GAL 0.454545 1
67 Z3Q NGA 0.454545 0.766667
68 NAG NGO 0.453488 0.851852
69 NAG GAL FUC 0.453488 0.978723
70 GN1 0.452055 0.724138
71 NG1 0.452055 0.724138
72 GAL NAG GAL FUC 0.451613 0.938776
73 BGC GAL NAG GAL FUC FUC 0.45 0.958333
74 MAN MAN MAN GLC 0.45 0.702128
75 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.449153 0.779661
76 MAN NAG GAL 0.447059 0.957447
77 GAL NAG GAL FUC FUC 0.446809 0.958333
78 NAG AH0 0.445652 0.836364
79 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.444444 0.94
80 NAG NOJ NAG 0.444444 0.821429
81 NAG NOJ NAG NAG 0.444444 0.807018
82 Z4S NAG NAG 0.444444 0.851852
83 NGT NAG 0.443182 0.779661
84 NAG BDP NAG BDP NAG BDP NAG 0.442105 0.901961
85 HSH A2G FUC 0.442105 0.821429
86 NAG GAL FUC A2G 0.44186 0.978723
87 GAL NAG GAL 0.44186 0.957447
88 NAG GAL GAL 0.440476 0.957447
89 BGC GAL NAG GAL 0.438202 0.957447
90 AH0 NAG 0.438202 0.836364
91 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.431193 0.938776
92 OPM MAN MAN 0.430233 0.62963
93 NAG NGT NAG 0.430108 0.766667
94 6ZC 0.428571 0.661538
95 LEC 0.428571 0.661538
96 NAG NAG BMA MAN 0.427083 0.867925
97 NDG FUC GAL FUC 0.426966 0.958333
98 NAG GAL FUC FUC 0.426966 0.958333
99 TNR 0.425 0.826923
100 GUM 0.424242 0.807018
101 C4W NAG FUC BMA MAN MAN NAG 0.423729 0.867925
102 NAG NAG BMA MAN MAN MAN MAN 0.423423 0.867925
103 3YW 0.423077 0.875
104 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.421569 0.957447
105 BGC FUC GAL NAG GAL 0.42 0.978723
106 BGC GAL GLA NGA GAL 0.419355 0.957447
107 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.417476 0.957447
108 UMG 0.415842 0.807018
109 GAL NAG 0.414634 0.957447
110 NAG GAL GLC NAG GLC RAM 0.410526 0.938776
111 BDP NPO NDG BDP NDG 0.407407 0.707692
112 GYU 0.407407 0.77193
113 SER A2G 0.407407 0.811321
114 C4W NAG FUC BMA MAN NAG 0.40708 0.867925
115 AO3 0.40404 0.723077
116 NAA AMI NAA 0.40404 0.723077
117 GLC GAL NAG GAL FUC GLA 0.403846 0.978723
118 MBG GLA 0.402778 0.744681
119 NAG NAG BMA BMA 0.4 0.87037
Similar Ligands (3D)
Ligand no: 1; Ligand: MMA MAN 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 : 2AUY; Ligand: MMA MAN NAG; 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: 2auy.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AUY; Ligand: MMA MAN NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2auy.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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