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: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 UDM 1 1
2 URM 0.755556 0.985507
3 660 0.755556 0.985507
4 UD1 0.683168 0.957143
5 UD2 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 HWU 0.611111 0.930556
11 12V 0.611111 0.930556
12 U5F 0.608696 0.914286
13 MJZ 0.601852 0.916667
14 UPG 0.59596 0.942857
15 UFM 0.59596 0.942857
16 GDU 0.59596 0.942857
17 GUD 0.59596 0.942857
18 UNP 0.595745 0.888889
19 EPZ 0.59292 0.943662
20 UD7 0.592593 0.929577
21 EPU 0.587719 0.930556
22 EEB 0.587719 0.930556
23 F5P 0.581818 0.916667
24 F5G 0.581818 0.929577
25 UD4 0.581818 0.916667
26 UDZ 0.575221 0.857143
27 U5P 0.568182 0.9
28 U 0.568182 0.9
29 UGB 0.567308 0.928571
30 UGA 0.567308 0.928571
31 U2F 0.563107 0.891892
32 UPF 0.563107 0.891892
33 Y6W 0.558824 0.944444
34 UPP 0.554455 0.915493
35 44P 0.549451 0.902778
36 UMA 0.54918 0.943662
37 UFG 0.548077 0.891892
38 2KH 0.541667 0.888889
39 UDH 0.539216 0.893333
40 USQ 0.537736 0.825
41 UAD 0.533333 0.942857
42 UDX 0.533333 0.942857
43 3UC 0.527778 0.891892
44 U20 0.523438 0.884615
45 U21 0.523438 0.884615
46 U22 0.523438 0.8625
47 G3N 0.518519 0.916667
48 UDP UDP 0.515789 0.885714
49 4TC 0.5 0.835443
50 UAG 0.49635 0.918919
51 URI 0.488372 0.84058
52 UP5 0.483333 0.833333
53 CSQ 0.473684 0.855263
54 CSV 0.473684 0.855263
55 UA3 0.473118 0.885714
56 U3P 0.473118 0.885714
57 CJB 0.47191 0.826087
58 UD0 0.471429 0.825
59 U U 0.46789 0.901408
60 4RA 0.467626 0.835443
61 IUG 0.466667 0.792683
62 UML 0.456376 0.884615
63 2QR 0.437956 0.85
64 PUP 0.4375 0.915493
65 LSU 0.436364 0.744186
66 U1S 0.429907 0.779221
67 A U 0.425197 0.810127
68 PMP UD1 0.422535 0.814815
69 YSU 0.422414 0.752941
70 0RC 0.416667 0.868421
71 7XL 0.416667 0.891892
72 U2P 0.412371 0.9
73 C5G 0.408696 0.891892
74 G U 0.407692 0.771084
75 UAG API 0.407643 0.883117
76 U4S 0.40404 0.736842
77 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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