Receptor
PDB id Resolution Class Description Source Keywords
4N3B 2.17 Å EC: 2.4.1.255 CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE BOUND TO A P FROM HCF-1 PRO-REPEAT2(1-26)E10Q AND UDP-5SGLCNAC HOMO SAPIENS GLYCOSYLTRANSFERASE O-GLCNAC TRANSFERASE PROTEOLYSIS SUBSTDOMAIN TPR BINDING TRANSFERASE-SUBSTRATE COMPLEX
Ref.: HCF-1 IS CLEAVED IN THE ACTIVE SITE OF O-GLCNAC TRA SCIENCE V. 342 1235 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
12V A:1501;
 Valid;
 none;
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623.419 C17 H27 N3 O16 P2 S CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N3A 1.88 Å EC: 2.4.1.255 CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE BOUND TO A P FROM HCF-1 PRO-REPEAT 2 (1-26)E10A HOMO SAPIENS GLYCOSYLTRANSFERASE O-GLCNAC TRANSFERASE PROTEOLYSIS SUBSTDOMAIN TPR BINDING TRANSFERASE-SUBSTRATE COMPLEX
Ref.: HCF-1 IS CLEAVED IN THE ACTIVE SITE OF O-GLCNAC TRA SCIENCE V. 342 1235 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4N3B - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
2 4N3A - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4N3B - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
2 4N3A - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4N3B - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
2 4N3A - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 12V; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 12V 1 1
2 HWU 1 1
3 UD2 0.660377 0.943662
4 UD1 0.660377 0.943662
5 HP7 0.633027 0.929577
6 UD7 0.618182 0.916667
7 MJZ 0.612613 0.90411
8 UDM 0.611111 0.930556
9 F5P 0.607143 0.90411
10 F5G 0.607143 0.916667
11 UD4 0.607143 0.90411
12 UDZ 0.6 0.846154
13 GDU 0.592233 0.929577
14 UFM 0.592233 0.929577
15 UPG 0.592233 0.929577
16 EPZ 0.589744 0.930556
17 AWU 0.586538 0.929577
18 EEB 0.584746 0.917808
19 EPU 0.584746 0.917808
20 UGB 0.579439 0.915493
21 UGA 0.579439 0.915493
22 UDP 0.578947 0.901408
23 UTP 0.57732 0.901408
24 U5F 0.571429 0.901408
25 U2F 0.560748 0.88
26 UFG 0.560748 0.88
27 UAD 0.560748 0.902778
28 UPF 0.560748 0.88
29 UDX 0.560748 0.902778
30 UNP 0.56 0.876712
31 UGF 0.559633 0.866667
32 USQ 0.550459 0.814815
33 UMA 0.547619 0.930556
34 URM 0.54717 0.916667
35 660 0.54717 0.916667
36 3UC 0.540541 0.88
37 U22 0.534351 0.807229
38 UPU 0.533981 0.928571
39 G3N 0.531532 0.878378
40 UPP 0.523364 0.902778
41 UDH 0.523364 0.833333
42 U21 0.522727 0.82716
43 U20 0.522727 0.82716
44 U 0.515789 0.887324
45 U5P 0.515789 0.887324
46 UDP UDP 0.515152 0.873239
47 44P 0.5 0.864865
48 UAG 0.496454 0.881579
49 2KH 0.495146 0.876712
50 IUG 0.491803 0.783133
51 4RA 0.478873 0.825
52 UDP GAL 0.477876 0.902778
53 UD0 0.472222 0.814815
54 UP5 0.472 0.822785
55 UML 0.467105 0.82716
56 Y6W 0.460177 0.88
57 4TC 0.453125 0.802469
58 2QR 0.429577 0.817073
59 URI 0.425532 0.828571
60 FZK 0.415929 0.77381
61 UA3 0.415842 0.873239
62 U3P 0.415842 0.873239
63 PMP UD1 0.414966 0.804878
64 CSQ 0.414634 0.893333
65 CSV 0.414634 0.893333
66 CJB 0.412371 0.814286
67 C5G 0.411765 0.88
68 LSU 0.401709 0.735632
Similar Ligands (3D)
Ligand no: 1; Ligand: 12V; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N3A; Ligand: UDP; 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: 4n3a.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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