Receptor
PDB id Resolution Class Description Source Keywords
5GGL 1.27 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF HUMAN PROTEIN O-MA BETA-1,2-N-ACETYLGLUCOSAMINYLTRANSFERASE IN COMPLEX WITH GLA LPHA-PNP HOMO SAPIENS GLYCOSYLTRANSFEREASE O-MANNOSYLATION ALPHA-DYSTROGLYCAN SBINDING PROTEIN
Ref.: CARBOHYDRATE-BINDING DOMAIN OF THE POMGNT1 STEM REG MODULATES O-MANNOSYLATION SITES OF ALPHA-DYSTROGLYC PROC.NATL.ACAD.SCI.USA V. 113 9280 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6ZC A:301;
B:301;
Valid;
Valid;
none;
none;
Kd = 16.52 mM
342.301 C14 H18 N2 O8 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GGN 1.21 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF HUMAN PROTEIN O-MA BETA-1,2-N-ACETYLGLUCOSAMINYLTRANSFERASE IN COMPLEX WITH GLP NP HOMO SAPIENS GLYCOSYLTRANSFEREASE O-MANNOSYLATION ALPHA-DYSTROGLYCAN SBINDING PROTEIN
Ref.: CARBOHYDRATE-BINDING DOMAIN OF THE POMGNT1 STEM REG MODULATES O-MANNOSYLATION SITES OF ALPHA-DYSTROGLYC PROC.NATL.ACAD.SCI.USA V. 113 9280 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5GGP Kd = 0.5 mM THR PRO THR MAN NAG PRO VAL n/a n/a
2 5GGJ Kd = 17.78 mM PNA C12 H15 N O8 c1cc(ccc1[....
3 5GGN Kd = 0.22 mM LEC C14 H18 N2 O8 CC(=O)N[C@....
4 5GGK Kd = 0.29 mM MBE C12 H15 N O8 c1cc(ccc1[....
5 5GGO Kd = 0.8 mM LEC NGA n/a n/a
6 5GGL Kd = 16.52 mM 6ZC C14 H18 N2 O8 CC(=O)N[C@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5GGP Kd = 0.5 mM THR PRO THR MAN NAG PRO VAL n/a n/a
2 5GGJ Kd = 17.78 mM PNA C12 H15 N O8 c1cc(ccc1[....
3 5GGN Kd = 0.22 mM LEC C14 H18 N2 O8 CC(=O)N[C@....
4 5GGK Kd = 0.29 mM MBE C12 H15 N O8 c1cc(ccc1[....
5 5GGO Kd = 0.8 mM LEC NGA n/a n/a
6 5GGL Kd = 16.52 mM 6ZC C14 H18 N2 O8 CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5GGP Kd = 0.5 mM THR PRO THR MAN NAG PRO VAL n/a n/a
2 5GGJ Kd = 17.78 mM PNA C12 H15 N O8 c1cc(ccc1[....
3 5GGN Kd = 0.22 mM LEC C14 H18 N2 O8 CC(=O)N[C@....
4 5GGK Kd = 0.29 mM MBE C12 H15 N O8 c1cc(ccc1[....
5 5GGO Kd = 0.8 mM LEC NGA n/a n/a
6 5GGL Kd = 16.52 mM 6ZC C14 H18 N2 O8 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6ZC; Similar ligands found: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 LEC 1 1
2 6ZC 1 1
3 LEC NGA 0.767123 0.953125
4 6Y2 0.767123 0.953125
5 NPO A2G GAL 0.68 0.968254
6 GAL A2G NPO 0.68 0.968254
7 KHP 0.59375 0.777778
8 MBE 0.590909 0.836066
9 GAL NPO 0.590909 0.836066
10 PNA 0.590909 0.836066
11 NBZ GLA 0.590909 0.836066
12 147 0.590909 0.836066
13 PNW 0.590909 0.836066
14 GLA NPO 0.590909 0.836066
15 PNG 0.590909 0.836066
16 NDG BDP BDP NPO NDG 0.557895 0.953125
17 PNJ 0.542857 0.887097
18 MAG 0.53125 0.640625
19 2F8 0.53125 0.640625
20 NPJ 0.512821 0.809524
21 RCB 0.5 0.809524
22 NGB 0.493671 0.809524
23 GN1 0.478261 0.701493
24 NG1 0.478261 0.701493
25 NSQ 0.466667 0.657895
26 MAN NAG 0.453333 0.68254
27 GYU 0.447368 0.619718
28 3YW 0.445946 0.650794
29 NAG MBG 0.441558 0.661538
30 14T 0.439024 0.666667
31 MBG A2G 0.435897 0.661538
32 A2G MBG 0.435897 0.661538
33 GAA 0.434211 0.852459
34 CG3 A2G GAL 0.433333 0.953125
35 GNS BDP GNS BDP GNS BDP NPO 0.431373 0.773333
36 TNR 0.428571 0.676923
37 NAG GAL 0.428571 0.68254
38 GAL NAG 0.428571 0.68254
39 NGA GAL 0.428571 0.68254
40 NAG MAN MMA 0.428571 0.661538
41 GUM 0.427083 0.695652
42 NAG NGA 0.423077 0.703125
43 CBS CBS 0.423077 0.703125
44 NAG GDL 0.423077 0.703125
45 NAG A2G 0.423077 0.703125
46 NAG NDG 0.423077 0.703125
47 CBS 0.423077 0.703125
48 LAM 0.421053 0.772727
49 MAN MAN NAG 0.418605 0.661538
50 UMG 0.418367 0.695652
51 NDG NAG 0.4125 0.71875
52 BM3 0.409091 0.655738
53 NAG 0.409091 0.655738
54 A2G 0.409091 0.655738
55 NGA 0.409091 0.655738
56 HSQ 0.409091 0.655738
57 NDG 0.409091 0.655738
58 NAG NAG NAG NAG NDG 0.402439 0.71875
59 NAG NAG NAG NAG NAG 0.402439 0.71875
60 CTO 0.402439 0.71875
61 NDG NAG NAG 0.402439 0.71875
62 NDG NAG NAG NDG NAG 0.402439 0.71875
63 NDG NAG NAG NDG 0.402439 0.71875
64 NAG NAG 0.402439 0.647059
65 NAG NAG NAG 0.402439 0.71875
66 NAG NAG NAG NAG NAG NAG 0.402439 0.71875
67 NAG NAG NAG NAG NDG NAG 0.402439 0.71875
68 NAG NAG NDG 0.402439 0.71875
69 NAG NAG NAG NAG NAG NAG NAG NAG 0.402439 0.71875
70 NAG NAG NAG NDG 0.402439 0.71875
71 NAG NAG NAG NAG 0.402439 0.71875
72 NDG NAG NAG NAG 0.402439 0.71875
73 NAG NM9 0.402299 0.69697
74 NAG NGO 0.4 0.661765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GGN; Ligand: LEC; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 5ggn.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BTI 7R9 0.03273 0.40155 13.4146
Pocket No.: 2; Query (leader) PDB : 5GGN; Ligand: LEC; 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: 5ggn.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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