Receptor
PDB id Resolution Class Description Source Keywords
5GGJ 1.42 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF HUMAN PROTEIN O-MA BETA-1,2-N-ACETYLGLUCOSAMINYLTRANSFERASE IN COMPLEX WITH MAP 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PNA A:301;
B:301;
 Valid;
Valid;
 none;
none;
 Kd = 17.78 mM
301.249 C12 H15 N O8 c1cc(...
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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 35 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 32 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 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@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PNA; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA NPO 1 1
2 NBZ GLA 1 1
3 PNA 1 1
4 PNW 1 1
5 MBE 1 1
6 147 1 1
7 PNG 1 1
8 KHP 0.895833 0.924528
9 NGB 0.754098 0.962264
10 NPJ 0.725806 0.962264
11 NSQ 0.706897 0.731343
12 RCB 0.703125 0.962264
13 GAA 0.661017 0.980769
14 PNJ 0.644068 0.910714
15 GAT 0.62963 0.716981
16 JFZ 0.614035 0.846154
17 GAL PHB 0.614035 0.634615
18 56N 0.611111 0.647059
19 LEC 0.590909 0.836066
20 6ZC 0.590909 0.836066
21 3XN 0.589041 0.809524
22 XTG 0.577465 0.862069
23 A2G NPO GAL 0.575342 0.809524
24 C3G 0.57377 0.830189
25 3X8 0.566667 0.622642
26 HNW 0.548387 0.611111
27 145 0.53125 0.962264
28 LAM 0.530864 0.910714
29 GLA BEZ 0.507692 0.653846
30 6Y2 0.493671 0.796875
31 LEC NGA 0.493671 0.796875
32 BDP NPO NDG BDP NDG 0.442105 0.796875
33 DCB 0.432099 0.822581
34 BDP NPO GNS BDP 0.431579 0.675676
35 SA0 0.430769 0.622642
36 BDP NPO GNS BDP GNS BDP GNS 0.427083 0.689189
37 6GR 0.426471 0.641509
38 A24 0.425287 0.689189
39 1DM 0.425287 0.68
40 NFG 0.424658 0.836066
41 M2F 0.424658 0.836066
42 7KP 0.410959 0.622642
43 04G GAL 0.407895 0.637931
44 MBF NIN BMA BMA 0.406977 0.822581
45 A32 0.406593 0.689189
46 XYS NPO XYS 0.405405 0.907407
47 AI1 0.4 0.610169
Similar Ligands (3D)
Ligand no: 1; Ligand: PNA; Similar ligands found: 27
No: Ligand Similarity coefficient
1 BWG 0.9425
2 7K2 0.9097
3 F0C 0.9088
4 DGO Z61 0.9004
5 CT7 0.8980
6 XMM 0.8840
7 H8B 0.8825
8 GLC BGC 0.8788
9 QC1 0.8759
10 GLC GLC 0.8756
11 GLC GLA 0.8735
12 7WD 0.8710
13 J3B 0.8709
14 G1L 0.8696
15 5R8 0.8691
16 7ZO 0.8677
17 TH4 0.8653
18 F1T 0.8641
19 P2C 0.8637
20 BGC GLC 0.8615
21 QRP 0.8592
22 6T5 0.8583
23 MRE 0.8582
24 G8V 0.8571
25 BMA BMA 0.8570
26 CWP 0.8561
27 QTJ 0.8553
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GGN; Ligand: LEC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5ggn.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5GGN; Ligand: LEC; Similar sites found with APoc: 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 Sequence Similarity
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