Receptor
PDB id Resolution Class Description Source Keywords
4TQK 2.1 Å NON-ENZYME: BINDING STRUCTURAL BASIS OF SPECIFIC RECOGNITION OF NON-REDUCING TER ACETYLGLUCOSAMINE BY AN AGROCYBE AEGERITA LECTION AGROCYBE AEGERITA COMPLEX LECTIN GLCNAC SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF SPECIFIC RECOGNITION OF NON-RED TERMINAL N-ACETYLGLUCOSAMINE BY AN AGROCYBE AEGERIT PLOS ONE V. 10 29608 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG B:504;
A:505;
A:502;
B:502;
A:506;
B:501;
B:503;
A:501;
A:503;
A:504;
B:505;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 28.31 uM
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TQK 2.1 Å NON-ENZYME: BINDING STRUCTURAL BASIS OF SPECIFIC RECOGNITION OF NON-REDUCING TER ACETYLGLUCOSAMINE BY AN AGROCYBE AEGERITA LECTION AGROCYBE AEGERITA COMPLEX LECTIN GLCNAC SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF SPECIFIC RECOGNITION OF NON-RED TERMINAL N-ACETYLGLUCOSAMINE BY AN AGROCYBE AEGERIT PLOS ONE V. 10 29608 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4TQK Kd = 28.31 uM NAG C8 H15 N O6 CC(=O)N[C@....
2 4TQM Kd = 41.65 uM NAG GAL NAG n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2C25 - SIA C11 H19 N O9 CC(=O)N[C@....
2 4UP4 Kd = 110 uM GAL NAG n/a n/a
3 2BWM - SNG C9 H17 N O5 Se CC(=O)N[C@....
4 4TQK Kd = 28.31 uM NAG C8 H15 N O6 CC(=O)N[C@....
5 4TQM Kd = 41.65 uM NAG GAL NAG n/a n/a
6 5MB4 Kd = 0.45 uM NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2C25 - SIA C11 H19 N O9 CC(=O)N[C@....
2 4UP4 Kd = 110 uM GAL NAG n/a n/a
3 2BWM - SNG C9 H17 N O5 Se CC(=O)N[C@....
4 4TQK Kd = 28.31 uM NAG C8 H15 N O6 CC(=O)N[C@....
5 4TQM Kd = 41.65 uM NAG GAL NAG n/a n/a
6 5MB4 Kd = 0.45 uM NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4tqk.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4tqk.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: 51
This union binding pocket(no: 3) in the query (biounit: 4tqk.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ITJ FAD 0.0472 0.41505 1.77515
2 4D81 ADP 0.008907 0.42193 2.4735
3 2BME GNP 0.0269 0.40785 2.68817
4 4HP0 NOJ NAG NAG NAG 0.03242 0.4062 3.10078
5 1IBR GNP 0.01198 0.42872 3.20197
6 3GJX GTP 0.03188 0.40541 3.44828
7 2R4J FAD 0.03694 0.42419 3.69458
8 2R4J 13P 0.03694 0.42419 3.69458
9 2ZPT A3P 0.03007 0.43085 3.72881
10 4ZLU 4PW 0.01773 0.42805 3.94089
11 4ZLU ADP 0.01773 0.42805 3.94089
12 5SZH GNP 0.01971 0.41665 3.94089
13 3TKL GTP 0.01376 0.4225 4.08163
14 4Q3R XA2 0.04154 0.42396 4.15584
15 3O2Q PRO THR SEP PRO SER TYR 0.02615 0.40119 4.20561
16 1MR3 G3D 0.007265 0.4224 4.41989
17 3SFV GDP 0.0147 0.41589 4.41989
18 2Z5F A3P 0.02147 0.40705 4.69799
19 1AQU A3P 0.01283 0.41513 4.7138
20 4MIG G3F 0.02161 0.43837 4.92611
21 4AMV F6R 0.01004 0.41819 4.92611
22 4D0G GTP 0.01718 0.41372 5.14286
23 5TB5 GDP 0.02512 0.40003 5.33333
24 1BW9 PPY 0.01115 0.4149 5.61798
25 1C1X HFA 0.01047 0.41425 5.6338
26 4RGQ 13P 0.04357 0.40966 5.70652
27 3ZX4 2M8 0.01622 0.40488 5.79151
28 1R2Q GNP 0.04284 0.40665 5.88235
29 5DI9 GNP 0.01513 0.42438 5.91133
30 5UWU GNP 0.0145 0.42413 5.91133
31 5UWI GNP 0.01524 0.42294 5.91133
32 5UWT GNP 0.01658 0.42095 5.91133
33 2ZFZ ARG 0.04198 0.41917 6.32911
34 2J59 GTP 0.03039 0.4027 6.54762
35 2EUG URA 0.007869 0.41349 6.9869
36 1YVD GNP 0.0132 0.42508 7.10059
37 4C4P GNP 0.01703 0.42095 7.51445
38 2XBL M7P 0.01247 0.41426 7.57576
39 2D7C GTP 0.02033 0.41671 7.78443
40 5CK5 GDP 0.01305 0.4038 8.5443
41 2EFE GNH 0.0122 0.41445 8.83978
42 3BC1 GNP 0.02915 0.40638 9.23077
43 3WYF GTP 0.03008 0.40793 9.2437
44 1VG8 GNP 0.02352 0.41274 9.66184
45 1VG9 GDP 0.01656 0.40747 10.8108
46 1VG1 GDP 0.01506 0.40528 10.8108
47 1XHL NDP 0.03526 0.43559 15.1515
48 4HI0 GDP 0.02301 0.40617 15.5779
49 5XCO GDP 0.02108 0.4022 18.1287
50 2F5Z FAD 0.01257 0.44545 20.3125
51 5UWR GNP 0.0151 0.4232 25.9259
Pocket No.: 4; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4tqk.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4tqk.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4tqk.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4tqk.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4tqk.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4tqk.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4tqk.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4TQK; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4tqk.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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