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Receptor
PDB id Resolution Class Description Source Keywords
5BNW 2.4 Å EC: 2.4.1.255 THE ACTIVE SITE OF O-GLCNAC TRANSFERASE IMPOSES CONSTRAINTS SUBSTRATE SEQUENCE HOMO SAPIENS O-GLCNAC TRANSFERASE GLYCOSYL TRANSFERASE TRANSFERASE
Ref.: THE ACTIVE SITE OF O-GLCNAC TRANSFERASE IMPOSES CON ON SUBSTRATE SEQUENCE. NAT.STRUCT.MOL.BIOL. V. 22 744 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
12V A:1101;
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
5BNW 2.4 Å EC: 2.4.1.255 THE ACTIVE SITE OF O-GLCNAC TRANSFERASE IMPOSES CONSTRAINTS SUBSTRATE SEQUENCE HOMO SAPIENS O-GLCNAC TRANSFERASE GLYCOSYL TRANSFERASE TRANSFERASE
Ref.: THE ACTIVE SITE OF O-GLCNAC TRANSFERASE IMPOSES CON ON SUBSTRATE SEQUENCE. NAT.STRUCT.MOL.BIOL. V. 22 744 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5BNW - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5BNW - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5BNW - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 12V; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 12V 1 1
2 HWU 1 1
3 UD1 0.660377 0.943662
4 UD2 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 UD4 0.607143 0.90411
11 F5G 0.607143 0.916667
12 UDZ 0.6 0.846154
13 GUD 0.592233 0.929577
14 UPG 0.592233 0.929577
15 GDU 0.592233 0.929577
16 UFM 0.592233 0.929577
17 EPZ 0.589744 0.930556
18 EEB 0.584746 0.917808
19 EPU 0.584746 0.917808
20 UGA 0.579439 0.915493
21 UGB 0.579439 0.915493
22 UDP 0.578947 0.901408
23 UTP 0.57732 0.901408
24 UAD 0.560748 0.902778
25 UPF 0.560748 0.88
26 UDX 0.560748 0.902778
27 UFG 0.560748 0.88
28 U2F 0.560748 0.88
29 UNP 0.56 0.876712
30 USQ 0.550459 0.814815
31 UMA 0.547619 0.930556
32 URM 0.54717 0.916667
33 660 0.54717 0.916667
34 3UC 0.540541 0.88
35 U22 0.534351 0.807229
36 UPU 0.533981 0.928571
37 G3N 0.531532 0.878378
38 UPP 0.523364 0.902778
39 UDH 0.523364 0.833333
40 U21 0.522727 0.82716
41 U20 0.522727 0.82716
42 U5P 0.515789 0.887324
43 U 0.515789 0.887324
44 UDP UDP 0.515152 0.873239
45 44P 0.5 0.864865
46 UAG 0.496454 0.881579
47 2KH 0.495146 0.876712
48 IUG 0.491803 0.783133
49 4RA 0.478873 0.825
50 UD0 0.472222 0.814815
51 UP5 0.472 0.822785
52 UML 0.467105 0.82716
53 Y6W 0.460177 0.88
54 4TC 0.453125 0.802469
55 U U 0.431034 0.888889
56 2QR 0.429577 0.817073
57 URI 0.425532 0.828571
58 U3P 0.415842 0.873239
59 UA3 0.415842 0.873239
60 PMP UD1 0.414966 0.804878
61 CSV 0.414634 0.893333
62 CSQ 0.414634 0.893333
63 CJB 0.412371 0.814286
64 C5G 0.411765 0.88
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5BNW; Ligand: 12V; Similar sites found with APoc: 94
This union binding pocket(no: 1) in the query (biounit: 5bnw.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5ENZ UDP 1.55844
2 2F5X ASP 1.60256
3 2P4S DIH 1.87668
4 5H06 MAL 2.03125
5 2HHP FLC 2.07547
6 4PQG UDP 2.15264
7 3TDC 0EU 2.213
8 1VPE 3PG 2.26131
9 4XCP PLM 2.35294
10 4NES UDP 2.40642
11 3JU6 ARG 2.43243
12 2ACV UDP 2.59179
13 4FXQ G9L 2.6087
14 6DAW ARG 2.63158
15 1RZU ADP 2.68041
16 3GD8 GOL 2.69058
17 2GEK GDP 2.70936
18 5J32 IPM 2.72953
19 1XV5 UDP 2.74314
20 4X7R UDP 2.83976
21 4X7R 3YW 2.83976
22 4LOC OXM 2.8481
23 6BE0 COA 2.98013
24 1I7E IBS 3.01887
25 5LNE A2G GAL 3.04878
26 1YQT ADP 3.15985
27 5YV5 ADP 3.17164
28 1IR3 ANP 3.26797
29 4V1F BQ1 3.48837
30 3ITJ CIT 3.5503
31 4GN8 ASO 3.67893
32 3BEO UDP 3.73333
33 5IFK HPA 3.84615
34 5XVR TRH 3.90625
35 4QEK GLC 3.98671
36 4URN NOV 4
37 2BO4 FLC 4.03023
38 1QVJ RP5 4.10959
39 5CX6 CDP 4.11348
40 4X1T UDP 4.16667
41 1BYG STU 4.31655
42 4XSU GLC 4.38144
43 4XSU UDP 4.38144
44 5A7C 5D4 4.42478
45 5OFW 9TW 4.4843
46 4XJ7 ADE 4.49438
47 1F6D UDP 4.52128
48 2P9T 3PG 4.56731
49 2ZUX RAM 4.56853
50 2F7A CCU 4.74138
51 3Q3H UDP 4.91284
52 4TR9 38D 5.14905
53 2GZM DGL 5.24345
54 1RRV TYD 5.28846
55 1YC4 43P 5.30303
56 3OTH TYD 5.33981
57 4IV9 TSR 5.56553
58 3CV3 UDP 5.66502
59 2G2Y MLI 5.84416
60 4RDL FUC GAL NDG FUC 6.16883
61 4NDN PPK 6.19195
62 5NV8 TRH 6.66667
63 5AB1 BCD TA5 HP6 MAN 6.66667
64 1A05 IPM 6.70391
65 1SZ0 M6P 7.17593
66 4WGF HX2 7.31707
67 1KJ1 MAN 7.33945
68 4JGT PYR 7.35786
69 1BG2 ADP 7.69231
70 3OKP GDD 7.86802
71 3KPB SAM 8.19672
72 3WH2 FLC 8.84354
73 3HBF UDP 9.03084
74 6BK3 UDP 9.42184
75 2WKW W22 9.45122
76 1LNX URI 9.87654
77 3IT6 ORN 10.5528
78 5WXK TYD 11.4286
79 4RI6 GSH 11.6279
80 1NLM UD1 12.9121
81 3GUZ PAF 13.6364
82 3RHZ UDP 13.8643
83 1T0S BML 13.9535
84 1D1G NDP 14.2857
85 3A76 SPD 14.7727
86 1QKQ MAN 16.1972
87 1NE7 16G 16.955
88 5F7J ADE 18.75
89 3OKA GDD 19.0476
90 4KSY 1SY 20.6612
91 2KIN ADP 25
92 4BKS X6C 32.716
93 1K3A ACP 42.8571
94 2JLB UDM 46.1538
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