Receptor
PDB id Resolution Class Description Source Keywords
1TL2 2 Å NON-ENZYME: BINDING TACHYLECTIN-2 FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB) TACHYPLEUS TRIDENTATUS ANIMAL LECTIN HORSESHOE CRAB N-ACETYLGLUCOSAMINE BETA- PROPELLER SUGAR BINDING PROTEIN
Ref.: TACHYLECTIN-2: CRYSTAL STRUCTURE OF A SPECIFIC GLCNAC/GALNAC-BINDING LECTIN INVOLVED IN THE INNATE IMMUNITY HOST DEFENSE OF THE JAPANESE HORSESHOE CRAB TACHYPLEUS TRIDENTATUS. EMBO J. V. 18 2313 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDG A:237;
A:238;
A:239;
A:240;
A:241;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
Kd = 51.28 uM
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TL2 2 Å NON-ENZYME: BINDING TACHYLECTIN-2 FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB) TACHYPLEUS TRIDENTATUS ANIMAL LECTIN HORSESHOE CRAB N-ACETYLGLUCOSAMINE BETA- PROPELLER SUGAR BINDING PROTEIN
Ref.: TACHYLECTIN-2: CRYSTAL STRUCTURE OF A SPECIFIC GLCNAC/GALNAC-BINDING LECTIN INVOLVED IN THE INNATE IMMUNITY HOST DEFENSE OF THE JAPANESE HORSESHOE CRAB TACHYPLEUS TRIDENTATUS. EMBO J. V. 18 2313 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1TL2 Kd = 51.28 uM NDG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1TL2 Kd = 51.28 uM NDG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1TL2 Kd = 51.28 uM NDG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDG; 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 : 1TL2; Ligand: NDG; 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: 1tl2.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TL2; Ligand: NDG; Similar sites found: 58
This union binding pocket(no: 2) in the query (biounit: 1tl2.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3U7S 017 0.03176 0.40293 None
2 5I34 GDP 0.01688 0.40128 1.69492
3 2FXD DR7 0.03717 0.40446 2.0202
4 5J60 FAD 0.02339 0.42681 2.11864
5 5JE0 SAH 0.01997 0.42132 2.11864
6 5JE0 AZ8 0.01997 0.42132 2.11864
7 2YNC YNC 0.03923 0.40971 2.11864
8 4WGF HX2 0.01233 0.40177 2.43902
9 1RP0 AHZ 0.03727 0.40781 2.54237
10 5THQ NDP 0.03483 0.40716 2.54237
11 1P9P SAH 0.01977 0.41077 2.68199
12 1YXM ADE 0.003612 0.42399 2.9661
13 4C2X NHW 0.03833 0.41404 2.9661
14 4PPF FLC 0.01081 0.40637 2.9661
15 3LMS GLY 0.01451 0.40598 2.9661
16 5HGZ ACO 0.03103 0.40347 2.9661
17 2ZL4 ALA ALA ALA ALA 0.006457 0.41298 3.06122
18 5HTX ADP 0.002758 0.41748 3.38983
19 1D8C SOR 0.01813 0.41434 3.38983
20 3BIB PSF 0.01044 0.42127 3.44828
21 5MBX FAD 0.03833 0.42478 3.81356
22 5MBX SP5 0.03833 0.42478 3.81356
23 1DL5 SAH 0.02576 0.41046 3.81356
24 4UA3 COA 0.02618 0.40122 3.81356
25 2J9D ADP 0.001713 0.46572 4.20168
26 2J9D AMP 0.0149 0.41019 4.20168
27 4REP FAD 0.02258 0.42674 4.23729
28 2Q97 ATP 0.01688 0.41434 4.23729
29 2A42 ATP 0.02052 0.40668 4.23729
30 2FF3 ATP 0.02416 0.40302 4.23729
31 2V52 ATP 0.02684 0.40229 4.23729
32 1ZX5 LFR 0.004994 0.41846 4.66102
33 3JVH HHV 0.03694 0.40802 4.91803
34 2XYA 7L4 0.01244 0.41194 4.94506
35 1EM6 NBG 0.03142 0.42145 5.08475
36 3IWD M2T 0.008909 0.40713 5.88235
37 2R4J 13P 0.04332 0.42039 5.9322
38 3M6P BB2 0.009486 0.42015 6.21762
39 2CXG GLC GLC 0.004194 0.42993 6.35593
40 3QXY SAM 0.007435 0.42131 6.35593
41 4WZH FMN 0.03064 0.40513 6.35593
42 3T1O GDP 0.01486 0.40623 7.07071
43 4USI ATP 0.0213 0.4075 7.14286
44 1T9D P22 0.003864 0.42507 7.62712
45 4JNE ATP 0.0294 0.4047 7.62712
46 3GJX GTP 0.01541 0.42088 8.05085
47 3CTY FAD 0.04252 0.41572 8.47458
48 4USR FAD 0.041 0.40662 8.8983
49 3MJY IJZ 0.01554 0.42834 9.32203
50 5M67 3D1 0.04705 0.41624 9.74576
51 5M67 NAD 0.04992 0.41478 9.74576
52 3M1I GTP 0.02266 0.41206 10.4712
53 5UWI GNP 0.01768 0.41775 25.8741
54 5UWR GNP 0.01791 0.41745 25.8741
55 5UWU GNP 0.01809 0.41723 25.8741
56 5DI9 GNP 0.02144 0.41468 25.8741
57 5UWT GNP 0.02397 0.41078 25.8741
58 5UWP GNP 0.02235 0.41373 42.1053
Pocket No.: 3; Query (leader) PDB : 1TL2; Ligand: NDG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1tl2.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1TL2; Ligand: NDG; 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: 1tl2.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1TL2; Ligand: NDG; 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: 1tl2.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback