Receptor
PDB id Resolution Class Description Source Keywords
3BSS 2.3 Å EC: 2.7.7.23 PGLD FROM CAMPYLOBACTER JEJUNI, NCTC 11168, WITH NATIVE SUBS CAMPYLOBACTER JEJUNI LEFT-HAND BETA HELIX HEXAPEPTIDE REPEAT UDP ACETYL COENZYROSSMANN FOLD BACILLOSAMINE CAMPYLOBACTER PGL N-LINKED GLYCOSYLATION TRANSFERASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF PGLD F CAMPYLOBACTER JEJUNI. J.BIOL.CHEM. V. 283 27937 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UD4 A:201;
Valid;
none;
submit data
590.37 C17 H28 N4 O15 P2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T2Y 1.94 Å EC: 2.7.7.23 CRYSTAL STRUCTURE OF C. JEJUNI PGLD IN COMPLEX WITH 5-METHYL (METHYLAMINO)-2-PHENETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYL CAMPYLOBACTER JEJUNI SUBSP. JEJUNI SER(STRAIN ATCC 700819 / NCTC 11168) CAMPYLOBACTER JEJUNI BACTERIAL ACETYLTRANSFERASE INHIBITOR CTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: TARGETING BACILLOSAMINE BIOSYNTHESIS IN BACTERIAL P DEVELOPMENT OF INHIBITORS TO A BACTERIAL AMINO-SUGA ACETYLTRANSFERASE FROM CAMPYLOBACTER JEJUNI. J. MED. CHEM. V. 60 2099 2017
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5TYH ic50 = 8.4 mM 7O4 C8 H6 N2 O3 c1cc(oc1)c....
2 2VHE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5T2Y ic50 = 2.2 uM 753 C17 H17 N3 O2 S Cc1c2c(nc(....
4 3BSY - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
5 3BSS - UD4 C17 H28 N4 O15 P2 C[C@@H]1[C....
6 3BSW - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5TYH ic50 = 8.4 mM 7O4 C8 H6 N2 O3 c1cc(oc1)c....
2 2VHE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5T2Y ic50 = 2.2 uM 753 C17 H17 N3 O2 S Cc1c2c(nc(....
4 3BSY - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
5 3BSS - UD4 C17 H28 N4 O15 P2 C[C@@H]1[C....
6 3BSW - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TYH ic50 = 8.4 mM 7O4 C8 H6 N2 O3 c1cc(oc1)c....
2 2VHE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5T2Y ic50 = 2.2 uM 753 C17 H17 N3 O2 S Cc1c2c(nc(....
4 3BSY - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
5 3BSS - UD4 C17 H28 N4 O15 P2 C[C@@H]1[C....
6 3BSW - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UD4; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 F5P 1 1
2 UD4 1 1
3 F5G 0.782178 0.985507
4 MJZ 0.754902 0.971429
5 HP7 0.745098 0.971014
6 UD1 0.742574 0.957143
7 UD2 0.742574 0.957143
8 UD7 0.711538 0.985507
9 UDZ 0.688073 0.881579
10 EEB 0.654867 0.957747
11 EPZ 0.646018 0.971429
12 UGA 0.640777 0.956522
13 UGB 0.640777 0.956522
14 EPU 0.640351 0.930556
15 UPG 0.623762 0.942857
16 GDU 0.623762 0.942857
17 UFM 0.623762 0.942857
18 GUD 0.623762 0.942857
19 HWU 0.607143 0.90411
20 12V 0.607143 0.90411
21 UPF 0.605769 0.891892
22 U2F 0.605769 0.891892
23 UAD 0.605769 0.942857
24 UDX 0.605769 0.942857
25 G3N 0.603774 0.943662
26 4RA 0.603053 0.883117
27 UMA 0.598361 0.971429
28 USQ 0.59434 0.825
29 UFG 0.590476 0.891892
30 UDM 0.581818 0.916667
31 UDP 0.578947 0.914286
32 UTP 0.57732 0.914286
33 UNP 0.575758 0.888889
34 U21 0.570312 0.860759
35 U22 0.570312 0.839506
36 U20 0.570312 0.860759
37 UDH 0.552381 0.844156
38 IUG 0.542373 0.814815
39 UAG 0.540146 0.918919
40 UD0 0.536232 0.871795
41 660 0.53271 0.902778
42 URM 0.53271 0.902778
43 3UC 0.526786 0.891892
44 UPP 0.523364 0.915493
45 UPU 0.519231 0.914286
46 U 0.515789 0.9
47 U5P 0.515789 0.9
48 UML 0.506757 0.884615
49 44P 0.5 0.876712
50 2KH 0.495146 0.888889
51 UDP UDP 0.485149 0.885714
52 PMP UD1 0.475177 0.860759
53 2QR 0.460432 0.82716
54 Y6W 0.460177 0.866667
55 UP5 0.448819 0.857143
56 C5G 0.448276 0.917808
57 U U 0.431034 0.901408
58 4TC 0.430769 0.835443
59 0FX 0.42623 0.92
60 CXY 0.420168 0.917808
61 CSQ 0.414634 0.855263
62 CSV 0.414634 0.855263
63 URI 0.410526 0.814286
64 2GW 0.408 0.90411
65 U1S 0.40708 0.779221
66 UAG API 0.401235 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T2Y; Ligand: 753; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5t2y.bio2) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 3FS8 TDR 35.3535
2 3FS8 ACO 35.3535
Pocket No.: 2; Query (leader) PDB : 5T2Y; Ligand: 753; 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: 5t2y.bio2) has 68 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5T2Y; Ligand: 753; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5t2y.bio2) has 68 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5T2Y; Ligand: 753; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5t2y.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5T2Y; Ligand: 753; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5t2y.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5T2Y; Ligand: 753; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5t2y.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback