Receptor
PDB id Resolution Class Description Source Keywords
4G9N 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE RHIZOCTONIA SOLANI AGGLUTININ IN CO N'-ACETYL-GALACTOSAMINE RHIZOCTONIA SOLANI LECTIN CARBOHYDRATE-BINDING SPECIFICITY SUGAR BINDING PROT
Ref.: STRUCTURAL ANALYSIS OF THE RHIZOCTONIA SOLANI AGGLU REVEALS A DOMAIN-SWAPPING DIMERIC ASSEMBLY. FEBS J. V. 280 1750 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NGA A:202;
A:201;
B:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4G9N 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE RHIZOCTONIA SOLANI AGGLUTININ IN CO N'-ACETYL-GALACTOSAMINE RHIZOCTONIA SOLANI LECTIN CARBOHYDRATE-BINDING SPECIFICITY SUGAR BINDING PROT
Ref.: STRUCTURAL ANALYSIS OF THE RHIZOCTONIA SOLANI AGGLU REVEALS A DOMAIN-SWAPPING DIMERIC ASSEMBLY. FEBS J. V. 280 1750 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4G9N - NGA 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 1068 families.
1 4G9N - NGA 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 922 families.
1 4G9N - 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 : 4G9N; Ligand: NGA; Similar sites found: 91
This union binding pocket(no: 1) in the query (biounit: 4g9n.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TLG GAL 0.0001757 0.47476 None
2 1N07 FMN 0.01842 0.43149 None
3 1L5Y BEF 0.002803 0.42769 None
4 4WQQ MAN 0.005473 0.41304 None
5 5BO9 SIA GAL NGS 0.0424 0.40493 None
6 3U5S FAD 0.01768 0.4039 None
7 3MBG FAD 0.02404 0.40131 None
8 4DQ2 BTX 0.04466 0.40251 1.3986
9 5LVP ATP 0.02058 0.40058 1.3986
10 5LPG 71V 0.007431 0.42205 2.0979
11 2AG8 NAP 0.02309 0.40771 2.0979
12 2BJK NAD 0.0209 0.4286 2.7972
13 4DSU BZI 0.005219 0.4253 2.7972
14 4LOO SB4 0.006839 0.4185 2.7972
15 4XB2 NDP 0.02016 0.40876 2.7972
16 4XB2 HSE 0.02992 0.40876 2.7972
17 4L77 CNL 0.01213 0.40363 2.7972
18 3Q9N COA 0.02337 0.40806 2.83688
19 1UPR 4IP 0.007396 0.40983 3.25203
20 1S4M LUM 0.00805 0.44502 3.4965
21 4CNE SAH 0.01315 0.42433 3.4965
22 3O0Q GDP 0.0422 0.42311 3.4965
23 3O0Q TTP 0.04132 0.42311 3.4965
24 3O0Q ADN 0.0422 0.42311 3.4965
25 3AKK ADP 0.0159 0.41594 3.4965
26 5VC5 96M 0.02247 0.41309 3.4965
27 4WP9 ZDA 0.04949 0.40411 3.4965
28 1SL4 MAN MAN MAN MAN 0.01531 0.40022 3.4965
29 5FUI APY 0.001979 0.40418 3.78788
30 4LXQ TYD 0.005581 0.46288 4.1958
31 4LXQ FON 0.005581 0.46288 4.1958
32 2PTZ PAH 0.007643 0.42432 4.1958
33 5K9B FMN 0.02267 0.40057 4.1958
34 1MQ0 BRD 0.01337 0.40259 4.28571
35 5ECP JAA 0.01081 0.43695 4.8951
36 5ECP ATP 0.01122 0.43695 4.8951
37 5ECP MET 0.01081 0.43695 4.8951
38 4XTX 590 0.01616 0.42474 4.8951
39 4J7H TLO 0.01523 0.41525 4.8951
40 1TSD UMP 0.01273 0.41302 4.8951
41 2FCR FMN 0.01382 0.41118 4.8951
42 3VOT ADP 0.01786 0.40782 4.8951
43 4GLW NMN 0.003116 0.405 4.8951
44 4CIB 7UZ 0.006315 0.40105 4.8951
45 5FLJ QUE 0.03748 0.40082 4.8951
46 2YIP YIO 0.003926 0.41295 5.07246
47 4MZQ 1VU 0.01157 0.42307 5.59441
48 5JKG 6LF 0.03824 0.41276 5.59441
49 1SL6 GAL NDG FUC 0.003729 0.41653 6.29371
50 2AL2 2PG 0.01097 0.41053 6.29371
51 2PYW ADP 0.02421 0.40459 6.29371
52 1HV9 COA 0.04122 0.40415 6.29371
53 1EBG PAH 0.01852 0.40322 6.29371
54 2IO8 ADP 0.03415 0.40091 6.29371
55 4NM5 ADP 0.02524 0.40077 6.29371
56 1K9J NAG MAN MAN MAN NAG 0.01526 0.40705 6.47482
57 2JAR UMP 0.003 0.45174 6.99301
58 5MF5 C2E 0.01663 0.43082 6.99301
59 4HEQ FMN 0.02175 0.41023 6.99301
60 1TPY 16A 0.01726 0.4053 6.99301
61 1RE0 AFB 0.02792 0.40048 6.99301
62 2BLN FON 0.006612 0.45355 7.69231
63 2OG7 AHB 0.006756 0.4148 7.69231
64 2WME NAP 0.03128 0.40016 7.69231
65 3T1A 5MA 0.01358 0.41928 8.39161
66 1XMV ADP 0.01914 0.40225 9.09091
67 3FUR Z12 0.004517 0.47666 9.79021
68 2HFP NSI 0.01865 0.42355 9.79021
69 3JQ3 ADP 0.02232 0.42194 9.79021
70 4HEE 14R 0.01745 0.41513 9.79021
71 3G9E RO7 0.03599 0.41173 9.79021
72 3PJU C2E 0.0209 0.41253 10.4895
73 5F90 GLA GAL 0.0002547 0.47501 11.8881
74 5F90 GLA GAL BGC 5VQ 0.0003804 0.47456 11.8881
75 1RC0 KT5 0.004022 0.46698 11.8881
76 5F90 LMR 0.0007358 0.45795 11.8881
77 1CZR FMN 0.01543 0.42151 11.8881
78 4EJN 0R4 0.01951 0.41457 11.8881
79 2Z48 NGA 0.000007038 0.55079 13.986
80 2Z48 A2G 0.00002795 0.51074 13.986
81 2Z49 AMG 0.000007798 0.50534 13.986
82 1PDZ PGA 0.005159 0.41649 13.986
83 2ZQO NGA 0.00000001967 0.6026 14.6154
84 2D24 XYS XYS 0.00000002729 0.69028 15.3846
85 1KNM LAT 0.000000007232 0.71515 17.6923
86 5MUA GAL 0.000000109 0.6763 19.5804
87 4ANW O92 0.02448 0.41968 20.2797
88 4ZGR NGA GAL 0.00000006474 0.67582 25.8741
89 5D63 FUC GLA GLA 0.00003882 0.56256 27.2727
90 5D63 FUC GAL GLA 0.00006624 0.56091 27.2727
91 3NBC LAT 0.00000009804 0.65972 44.7552
Pocket No.: 2; Query (leader) PDB : 4G9N; Ligand: NGA; 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: 4g9n.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4G9N; 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: 4g9n.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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