Receptor
PDB id Resolution Class Description Source Keywords
2XSB 2.11 Å EC: 3.2.1.52 OGOGA PUGNAC COMPLEX OCEANICOLA GRANULOSUS O-GLCNACYLATION O-GLCNACASE GLYCOSYL HYDROLASE HYDROLASE
Ref.: HUMAN OGA BINDS SUBSTRATES IN A CONSERVED PEPTIDE RECOGNITION GROOVE. BIOCHEM.J. V. 432 1 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1437;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GDL A:1436;
Valid;
none;
ic50 = 11 uM
219.192 C8 H13 N O6 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XSB 2.11 Å EC: 3.2.1.52 OGOGA PUGNAC COMPLEX OCEANICOLA GRANULOSUS O-GLCNACYLATION O-GLCNACASE GLYCOSYL HYDROLASE HYDROLASE
Ref.: HUMAN OGA BINDS SUBSTRATES IN A CONSERVED PEPTIDE RECOGNITION GROOVE. BIOCHEM.J. V. 432 1 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2XSB ic50 = 11 uM GDL C8 H13 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 16 families.
1 2XSB ic50 = 11 uM GDL C8 H13 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 12 families.
1 2XSB ic50 = 11 uM GDL C8 H13 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDL; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GDL 1 1
2 LOG 0.529412 0.754717
3 NBG 0.411765 0.906977
4 149 0.404255 0.714286
5 LGC 0.404255 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XSB; Ligand: GDL; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 2xsb.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3U2U UDP 0.03133 0.40791 1.52091
2 1CSI OAA 0.0364 0.41137 2.29885
3 3MJY IJZ 0.03245 0.4071 2.31214
4 3MJY FMN 0.03245 0.4071 2.31214
5 2X4Z X4Z 0.04336 0.40149 2.36486
6 4YLL 4E3 0.01073 0.41993 2.49307
7 2YAB AMP 0.01521 0.40717 2.49307
8 5JZJ AN2 0.006877 0.42235 2.6936
9 3ATY FMN 0.01159 0.42134 3.43008
10 4FE2 ASP 0.01453 0.40243 3.92157
11 2WCU FUC 0.009797 0.40872 4.02685
12 4JIQ FMN 0.02158 0.40896 4.24403
13 3KMZ EQO 0.03106 0.40082 4.88722
14 1ICP FMN 0.01194 0.42623 5.05319
15 2Q3R FMN 0.01638 0.40734 5.37634
16 5DJH AMP 0.01271 0.41105 5.90278
17 2I0D MUT 0.04307 0.42239 6.06061
18 4M69 ANP 0.02016 0.40281 7.02875
19 2XK9 XK9 0.03098 0.4103 7.14286
20 4BUZ OAD 0.03882 0.40188 8.13008
21 4BUZ OCZ 0.03882 0.40188 8.13008
22 4BUZ NAD 0.03324 0.40188 8.13008
23 5MW8 ATP 0.01825 0.40827 10.0671
24 2JFN GLU 0.009714 0.40618 10.5263
25 2YAK OSV 0.03063 0.40496 15.0877
26 1OVD FMN 0.01617 0.42738 15.7556
27 2J62 GSZ 0.000000000346 0.80262 31.3199
28 5ABF XRJ 0.0000000001135 0.6813 32.8859
29 5M7S NHT 0.00000000002857 0.83861 37.3602
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