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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: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GDL 1 1
2 LOG 0.529412 0.754717
3 NBG 0.411765 0.906977
4 NAG MAN 0.409091 0.893617
5 8S0 0.404255 0.714286
6 149 0.404255 0.714286
7 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 with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 2xsb.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3RI1 3RH 1.27796
2 1O9J NAD 1.34228
3 3U2U UDP 1.52091
4 1OYB HBA 1.75
5 1OYB FMN 1.75
6 4M5P FMN 1.9656
7 6EGU 43Y 2.01342
8 4ONA UW1 2.23714
9 3ZXR P3S 2.23714
10 3ZXR IQ1 2.23714
11 1CSI CMX 2.29885
12 1CSI OAA 2.29885
13 3MJY IJZ 2.31214
14 3MJY FMN 2.31214
15 2VFK AMP 2.43902
16 4TMC FMN 2.48139
17 4TMC HBA 2.48139
18 2YAB AMP 2.49307
19 5T9C G3P 2.61194
20 5JZJ AN2 2.6936
21 6C8X BVR 3.0303
22 1SGJ OAA 3.16901
23 4BFM ANP 3.29341
24 4XF6 INS 3.2967
25 4XF6 ADP 3.2967
26 4XF6 LIP 3.2967
27 4GID 0GH 3.35052
28 3B1Q NOS 3.37423
29 3UXL CFI 3.39426
30 3ATY FMN 3.43008
31 5Z5I XYS 3.57942
32 5Z5I FUB 3.57942
33 3STD MQ0 3.63636
34 3AY6 BGC 3.71747
35 4ZS4 ATP 3.90879
36 4FE2 ASP 3.92157
37 2WCU FUC 4.02685
38 5XNC MTA 4.04313
39 4JIQ FMN 4.24403
40 4JIQ 1L5 4.24403
41 1IS3 LAT 4.44444
42 3ZJQ NCA 4.61538
43 3BLI PYR 4.74777
44 3KMZ EQO 4.88722
45 1ICP FMN 5.05319
46 3KRL KRL 5.37313
47 2Q3R FMN 5.37634
48 1H0H 2MD 5.60748
49 1OA7 CBI 5.60748
50 5DJH AMP 5.90278
51 4M8X KGQ 6.06061
52 4M69 ANP 7.02875
53 2XK9 XK9 7.14286
54 2RIO ADP 7.14286
55 3RMK BML 7.22892
56 4B7X NAP 7.7381
57 4BUZ NAD 8.13008
58 4BUZ OAD 8.13008
59 4BUZ OCZ 8.13008
60 4AML GYU 8.18713
61 2UVO NDG 8.18713
62 2VVT I24 8.27586
63 3TMK T5A 8.33333
64 2J0B UDP 8.92857
65 4GN8 ASO 9.36455
66 5MW8 ATP 10.0671
67 2JFN GLU 10.5263
68 5TPV TYD 11.1111
69 6C7Y ADP 11.5385
70 5XFV FMN 11.976
71 2YAK OSV 15.0877
72 4NJS G08 15.1515
73 1OVD FMN 15.7556
74 1OVD ORO 15.7556
75 3C3N FMN 17.9487
76 2J62 GSZ 31.3199
77 5ABF XRJ 32.8859
78 5M7S NHT 37.3602
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