Receptor
PDB id Resolution Class Description Source Keywords
2ZQO 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE EARTHWORM R-TYPE LECTIN C-HALF IN COMPLEX WITH GALNAC LUMBRICUS TERRESTRIS EARTHWORM LUMBRICUS TERRESTRIS HEMAGGLUTININ R-TYPE LECTIN BETA-TREFOIL FOLD SUGAR COMPLEX LECTIN SUGAR BINDING PROTEIN
Ref.: SUGAR-COMPLEX STRUCTURES OF THE C-HALF DOMAIN OF THE GALACTOSE-BINDING LECTIN EW29 FROM THE EARTHWORM LUMBRICUS TERRESTRIS ACTA CRYSTALLOGR.,SECT.D V. 65 49 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:401;
Invalid;
none;
submit data
112.411 Cd [Cd+2...
IMD A:451;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
NGA A:270;
A:271;
B:301;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PO4 A:421;
B:422;
B:423;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZQO 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE EARTHWORM R-TYPE LECTIN C-HALF IN COMPLEX WITH GALNAC LUMBRICUS TERRESTRIS EARTHWORM LUMBRICUS TERRESTRIS HEMAGGLUTININ R-TYPE LECTIN BETA-TREFOIL FOLD SUGAR COMPLEX LECTIN SUGAR BINDING PROTEIN
Ref.: SUGAR-COMPLEX STRUCTURES OF THE C-HALF DOMAIN OF THE GALACTOSE-BINDING LECTIN EW29 FROM THE EARTHWORM LUMBRICUS TERRESTRIS ACTA CRYSTALLOGR.,SECT.D V. 65 49 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2ZQN - BGC GAL n/a n/a
2 2DS0 - SIA GAL BGC n/a n/a
3 2DRZ - BGC GAL n/a n/a
4 2ZQO - NGA C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2ZQN - BGC GAL n/a n/a
2 2DS0 - SIA GAL BGC n/a n/a
3 2DRZ - BGC GAL n/a n/a
4 2ZQO - NGA C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2ZQN - BGC GAL n/a n/a
2 2DS0 - SIA GAL BGC n/a n/a
3 2DRZ - BGC GAL n/a n/a
4 2ZQO - NGA C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGA; 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 : 2ZQO; Ligand: NGA; 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: 2zqo.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ZQO; Ligand: NGA; Similar sites found: 59
This union binding pocket(no: 2) in the query (biounit: 2zqo.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5XG5 A2G 0.00008586 0.51234 None
2 1YBU APC 0.002908 0.44525 None
3 2IMW DDS 0.003793 0.43985 None
4 4CQK PIO 0.01071 0.40505 None
5 2PT9 2MH 0.04358 0.4074 1.53846
6 3MBG FAD 0.03832 0.40086 1.53846
7 2YIP YIO 0.007708 0.40989 2.30769
8 4C2C ALA VAL PRO ALA 0.0273 0.4008 2.30769
9 2X6T NAP 0.02915 0.41322 3.84615
10 1EQ2 NAP 0.03452 0.40896 3.84615
11 1S4M LUM 0.03958 0.402 3.84615
12 4WZ8 3W7 0.01906 0.43351 4.61538
13 2WOE AR6 0.02538 0.40774 4.61538
14 2R5N TPP 0.04787 0.40352 4.61538
15 4MZQ 1VU 0.009594 0.4248 5.38462
16 1YY5 FAD 0.03245 0.42315 5.38462
17 1RSG FAD 0.04288 0.41429 5.38462
18 2I8T GDD 0.03879 0.40121 5.38462
19 5MW4 5JU 0.01799 0.43364 6.15385
20 2WZV FMN 0.02889 0.41847 6.15385
21 4FWE FAD 0.04612 0.41312 6.15385
22 2Q1W NAD 0.04611 0.40436 6.15385
23 4LFL TG6 0.04468 0.40297 6.15385
24 2D24 XYS XYS 0.0000000002286 0.8248 6.92308
25 2CYE COA 0.007998 0.43439 6.92308
26 4I4S LAT 0.008745 0.41328 6.92308
27 2C1X UDP 0.03687 0.41311 6.92308
28 2V1O COA 0.0245 0.41223 6.92308
29 4K5S FAD 0.04388 0.40617 7.69231
30 5A3T MMK 0.04668 0.40045 7.69231
31 2QRD ATP 0.01684 0.40992 8.24742
32 3N1S 5GP 0.01185 0.41188 8.40336
33 2BW7 ECS 0.001894 0.49602 8.46154
34 2BW7 APC 0.01182 0.45328 8.46154
35 4XBA GMP 0.0006386 0.42066 9.23077
36 4XBA 5GP 0.0005797 0.41285 9.23077
37 5J75 6GQ 0.0155 0.40886 9.23077
38 1LC3 NAD 0.009032 0.42272 10
39 4X7G NAP 0.01789 0.41154 10
40 4J8O SAH 0.01048 0.41351 11.5385
41 3M54 SAH 0.01341 0.41031 11.5385
42 1MT6 SAH 0.009588 0.4102 11.5385
43 5U3F 7TS 0.02115 0.40916 12.3077
44 2GQR ADP 0.02226 0.40102 12.3077
45 3FUR Z12 0.002546 0.4872 13.0769
46 2HFP NSI 0.007545 0.43733 13.0769
47 2IBN I1N 0.005913 0.42049 13.0769
48 3H0A D30 0.04284 0.40107 13.0769
49 2X2T GAL NGA 0.000002871 0.49447 13.8462
50 4G9N NGA 0.00000001967 0.6026 14.6154
51 3AJ6 NGA 0.00000000725 0.72504 15.3846
52 3VHE 42Q 0.04161 0.40246 17.6923
53 4OWK NGA 0.0000001123 0.6803 18.4615
54 4LO2 GAL BGC 0.0000000002603 0.82482 20
55 1TKB N1T 0.03621 0.41117 20
56 1KNM LAT 0.0000000001454 0.68765 21.5385
57 4OUJ LBT 0.000000001871 0.60756 22.3077
58 3BXD INS 0.008026 0.42311 22.3077
59 4ZGR NGA GAL 0.000000001048 0.7641 25.3846
Pocket No.: 3; Query (leader) PDB : 2ZQO; Ligand: NGA; 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: 2zqo.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2ZQO; Ligand: NGA; Similar sites found: 57
This union binding pocket(no: 4) in the query (biounit: 2zqo.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VG1 FPP 0.02028 0.415 None
2 2J6U DGT 0.009379 0.41377 None
3 2PT9 S4M 0.01808 0.43807 1.53846
4 1YKI NFZ 0.04533 0.40872 1.53846
5 1YKI FMN 0.04006 0.40872 1.53846
6 3U5S FAD 0.01364 0.41435 1.5873
7 4BGB ADP 0.01325 0.40783 2.30769
8 4NBI D3Y 0.008039 0.43418 3.07692
9 3C6K MTA 0.0429 0.4148 3.07692
10 3C6K SPD 0.0429 0.4148 3.07692
11 2YHW BM3 0.0312 0.41331 3.07692
12 2V52 ATP 0.03234 0.40028 3.07692
13 1MEX RAC 0.01511 0.41078 3.84615
14 5VC5 96M 0.03978 0.4017 3.84615
15 3T2C 13P 0.03955 0.40023 3.84615
16 4H2D FMN 0.0205 0.40018 3.84615
17 1VPM COA 0.02286 0.41409 4.61538
18 4G1V FAD 0.03196 0.40742 4.61538
19 1XHC FAD 0.04384 0.40576 4.61538
20 1MR3 G3D 0.01913 0.40317 4.61538
21 3N2O AG2 0.01893 0.40048 4.61538
22 2DJH 3PD UM3 0.01211 0.42218 5.21739
23 3WBZ ATP 0.01211 0.40845 5.38462
24 1N07 FMN 0.03707 0.4129 6.15385
25 3T1A 5MA 0.02055 0.40816 6.15385
26 4IEN COA 0.0256 0.40483 6.15385
27 3CTL S6P 0.02211 0.40404 6.15385
28 4OB6 S2T 0.01206 0.40067 6.15385
29 1RC0 KT5 0.0262 0.41803 6.92308
30 1NCE UMP 0.01909 0.40408 6.92308
31 1GRO ICT 0.04147 0.42438 7.69231
32 4M38 SAH 0.0201 0.41073 7.69231
33 4M37 SAH 0.026 0.40172 7.69231
34 3FC4 EDO 0.04264 0.4185 8.46154
35 3AKK ADP 0.01759 0.41181 8.46154
36 4B0T ADP 0.02556 0.40535 8.46154
37 3KO8 NAD 0.03509 0.40738 9.23077
38 2IV2 2MD 0.04249 0.40319 10
39 1SB8 UD2 0.03862 0.42217 10.7692
40 1SB8 NAD 0.03468 0.42217 10.7692
41 2WR8 SAH 0.02205 0.4103 10.7692
42 3RZ3 U94 0.0182 0.40904 10.7692
43 2BES RES 0.01476 0.40627 10.7692
44 1KPH 10A 0.02428 0.40069 10.7692
45 1RE0 AFB 0.01773 0.4067 11.5385
46 2HGS ADP 0.02327 0.40755 12.3077
47 1ON3 MCA 0.03223 0.40429 13.0769
48 4FE2 ADP 0.009983 0.41406 13.8462
49 5F3I 5UJ 0.03059 0.4097 14.6154
50 5D4V SAH 0.0165 0.41404 15.3846
51 3UH0 TSB 0.03682 0.40304 15.3846
52 4BVA T3 0.02935 0.4198 16.1538
53 2PZM NAD 0.03321 0.42425 16.9231
54 2PZM UDP 0.03321 0.42425 16.9231
55 3KDU NKS 0.03525 0.42377 17.6923
56 3H0L ADP 0.009774 0.4079 19.2308
57 2GQS ADP 0.01163 0.41285 26.1538
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