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;
submit data
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: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 HWU 1 1
2 12V 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 UD4 0.607143 0.90411
10 UDZ 0.6 0.846154
11 UFM 0.592233 0.929577
12 GDU 0.592233 0.929577
13 GUD 0.592233 0.929577
14 UPG 0.592233 0.929577
15 EPZ 0.589744 0.930556
16 EEB 0.584746 0.917808
17 EPU 0.584746 0.917808
18 UGB 0.579439 0.915493
19 UGA 0.579439 0.915493
20 UDP 0.578947 0.901408
21 UTP 0.57732 0.901408
22 UDX 0.560748 0.902778
23 UPF 0.560748 0.88
24 UAD 0.560748 0.902778
25 UFG 0.560748 0.88
26 U2F 0.560748 0.88
27 UNP 0.56 0.876712
28 USQ 0.550459 0.814815
29 UMA 0.547619 0.930556
30 URM 0.54717 0.916667
31 660 0.54717 0.916667
32 3UC 0.540541 0.88
33 U22 0.534351 0.807229
34 UPU 0.533981 0.928571
35 G3N 0.531532 0.878378
36 UPP 0.523364 0.902778
37 UDH 0.523364 0.833333
38 U21 0.522727 0.82716
39 U20 0.522727 0.82716
40 U5P 0.515789 0.887324
41 UDP UDP 0.515152 0.873239
42 44P 0.5 0.864865
43 UAG 0.496454 0.881579
44 2KH 0.495146 0.876712
45 IUG 0.491803 0.783133
46 4RA 0.478873 0.825
47 UDP GAL 0.477876 0.902778
48 UD0 0.472222 0.814815
49 UP5 0.472 0.822785
50 UML 0.467105 0.82716
51 Y6W 0.460177 0.88
52 4TC 0.453125 0.802469
53 U U 0.431034 0.888889
54 2QR 0.429577 0.817073
55 PMP UD1 0.427586 0.790123
56 U 0.425532 0.828571
57 URI 0.425532 0.828571
58 U3P 0.415842 0.873239
59 UA3 0.415842 0.873239
60 CSQ 0.414634 0.893333
61 CSV 0.414634 0.893333
62 CJB 0.412371 0.814286
63 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: 59
This union binding pocket(no: 1) in the query (biounit: 5bnw.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4POW OP1 0.01265 0.4017 1.13208
2 5ENZ UDP 0.01042 0.41482 1.55844
3 2F5X ASP 0.04602 0.40387 1.60256
4 5H06 MAL 0.0361 0.40851 2.03125
5 2HHP FLC 0.001193 0.48779 2.07547
6 4PQG UDP 0.002757 0.43435 2.15264
7 3TDC 0EU 0.01892 0.42533 2.213
8 1VPE 3PG 0.02723 0.41503 2.26131
9 3JU6 ARG 0.04513 0.40169 2.43243
10 4FXQ G9L 0.03962 0.40891 2.6087
11 1RZU ADP 0.02678 0.40877 2.68041
12 2GEK GDP 0.0125 0.4218 2.70936
13 1XV5 UDP 0.006416 0.42835 2.74314
14 4X7R UDP 0.006563 0.42075 2.83976
15 4X7R 3YW 0.007326 0.40091 2.83976
16 1I7E IBS 0.02093 0.42337 3.01887
17 5LNE A2G GAL 0.02102 0.41974 3.04878
18 1YQT ADP 0.01479 0.43224 3.15985
19 3ITJ CIT 0.00239 0.48543 3.5503
20 3BEO UDP 0.01582 0.40958 3.73333
21 5IFK HPA 0.04885 0.40137 3.84615
22 4QEK GLC 0.02196 0.40575 3.98671
23 4URN NOV 0.04941 0.40365 4
24 1QVJ RP5 0.03015 0.41478 4.10959
25 4X1T UDP 0.01603 0.40931 4.16667
26 1BYG STU 0.02887 0.40018 4.31655
27 5A7C 5D4 0.03922 0.41306 4.42478
28 5OFW 9TW 0.04106 0.40457 4.4843
29 4XJ7 ADE 0.01837 0.42851 4.49438
30 1F6D UDP 0.005423 0.44435 4.52128
31 2P9T 3PG 0.02006 0.41815 4.56731
32 2ZUX RAM 0.04234 0.40299 4.56853
33 2F7A CCU 0.04386 0.40502 4.74138
34 3Q3H UDP 0.0002994 0.52147 4.91284
35 1RRV TYD 0.0191 0.40247 5.28846
36 1YC4 43P 0.03215 0.40117 5.30303
37 3OTH TYD 0.01681 0.40832 5.33981
38 4IV9 TSR 0.02384 0.41073 5.56553
39 3CV3 UDP 0.006961 0.42303 5.66502
40 2G2Y MLI 0.01514 0.42195 5.84416
41 4RDL FUC GAL NDG FUC 0.03405 0.41076 6.16883
42 5AB1 BCD TA5 HP6 MAN 0.0484 0.40448 6.66667
43 1A05 IPM 0.04866 0.40217 6.70391
44 3E0M SER HIS MET ALA GLU ILE 0.04439 0.40094 7.02875
45 4WGF HX2 0.02397 0.42211 7.31707
46 4JGT PYR 0.02662 0.42088 7.35786
47 3OKP GDD 0.002765 0.45004 7.86802
48 3WH2 FLC 0.01947 0.42126 8.84354
49 3HBF UDP 0.01493 0.40137 9.03084
50 5TME UDP 0.01223 0.42628 9.42184
51 3IT6 ORN 0.03783 0.40983 10.5528
52 4RI6 GSH 0.03679 0.40528 11.6279
53 3A76 SPD 0.03746 0.40926 14.7727
54 1NE7 16G 0.01432 0.43139 16.955
55 3OKA GDD 0.007806 0.43626 19.0476
56 2KIN ADP 0.04927 0.4009 25
57 4BKS X6C 0.02868 0.41742 32.716
58 1K3A ACP 0.02158 0.40991 42.8571
59 2JLB UDM 0.000000001546 0.67352 46.1538
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