Receptor
PDB id Resolution Class Description Source Keywords
2APC 1.5 Å EC: 2.4.1.101 CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I IN CO UDP-GLCNAC PHOSPHONATE ORYCTOLAGUS CUNICULUS TRANSFERASE N-ACETYLGLUCOSAMINYLTRANSFERASE GLYCOSYLTRANSFUDP-GLCNAC UDP-GLCNAC PHOSPHONATE
Ref.: X-RAY CRYSTAL STRUCTURES OF RABBIT N-ACETYLGLUCOSAMINYLTRANSFERASE I (GNT I) IN COMPLE DONOR SUBSTRATE ANALOGUES. J.MOL.BIOL. V. 360 67 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:450;
A:451;
A:452;
A:453;
A:454;
A:455;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:448;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDM A:449;
Valid;
none;
Ki = 28 uM
605.381 C18 H29 N3 O16 P2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2APC 1.5 Å EC: 2.4.1.101 CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I IN CO UDP-GLCNAC PHOSPHONATE ORYCTOLAGUS CUNICULUS TRANSFERASE N-ACETYLGLUCOSAMINYLTRANSFERASE GLYCOSYLTRANSFUDP-GLCNAC UDP-GLCNAC PHOSPHONATE
Ref.: X-RAY CRYSTAL STRUCTURES OF RABBIT N-ACETYLGLUCOSAMINYLTRANSFERASE I (GNT I) IN COMPLE DONOR SUBSTRATE ANALOGUES. J.MOL.BIOL. V. 360 67 2006
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2APC Ki = 28 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2AM4 Ki = 190 uM U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
3 2AM3 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1FOA - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
5 2AM5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2APC Ki = 28 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2AM4 Ki = 190 uM U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
3 2AM3 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1FOA - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
5 2AM5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2APC Ki = 28 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2AM4 Ki = 190 uM U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
3 2AM3 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1FOA - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
5 2AM5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 UDM 1 1
2 URM 0.755556 0.985507
3 660 0.755556 0.985507
4 UD2 0.683168 0.957143
5 UD1 0.683168 0.957143
6 UDP 0.636364 0.914286
7 HP7 0.622642 0.942857
8 UPU 0.617021 0.942029
9 UTP 0.615385 0.914286
10 12V 0.611111 0.930556
11 HWU 0.611111 0.930556
12 MJZ 0.601852 0.916667
13 GDU 0.59596 0.942857
14 UFM 0.59596 0.942857
15 GUD 0.59596 0.942857
16 UPG 0.59596 0.942857
17 UNP 0.595745 0.888889
18 EPZ 0.59292 0.943662
19 UD7 0.592593 0.929577
20 EEB 0.587719 0.930556
21 EPU 0.587719 0.930556
22 F5G 0.581818 0.929577
23 F5P 0.581818 0.916667
24 UD4 0.581818 0.916667
25 UDZ 0.575221 0.857143
26 U5P 0.568182 0.9
27 U 0.568182 0.9
28 UGA 0.567308 0.928571
29 UGB 0.567308 0.928571
30 U2F 0.563107 0.891892
31 UPF 0.563107 0.891892
32 Y6W 0.558824 0.944444
33 UPP 0.554455 0.915493
34 44P 0.549451 0.902778
35 UMA 0.54918 0.943662
36 UFG 0.548077 0.891892
37 2KH 0.541667 0.888889
38 UDH 0.539216 0.893333
39 USQ 0.537736 0.825
40 UAD 0.533333 0.942857
41 UDX 0.533333 0.942857
42 3UC 0.527778 0.891892
43 U21 0.523438 0.884615
44 U20 0.523438 0.884615
45 U22 0.523438 0.8625
46 G3N 0.518519 0.916667
47 UDP UDP 0.515789 0.885714
48 4TC 0.5 0.835443
49 UAG 0.49635 0.918919
50 URI 0.488372 0.84058
51 UP5 0.483333 0.833333
52 CSV 0.473684 0.855263
53 CSQ 0.473684 0.855263
54 U3P 0.473118 0.885714
55 UA3 0.473118 0.885714
56 CJB 0.47191 0.826087
57 UD0 0.471429 0.825
58 U U 0.46789 0.901408
59 4RA 0.467626 0.835443
60 IUG 0.466667 0.792683
61 UML 0.456376 0.884615
62 2QR 0.437956 0.85
63 PUP 0.4375 0.915493
64 U1S 0.429907 0.779221
65 A U 0.425197 0.810127
66 PMP UD1 0.422535 0.814815
67 7XL 0.416667 0.891892
68 U2P 0.412371 0.9
69 C5G 0.408696 0.891892
70 G U 0.407692 0.771084
71 UAG API 0.407643 0.883117
72 U4S 0.40404 0.736842
73 CDP 0.403846 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2APC; Ligand: UDM; 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: 2apc.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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