-->
Receptor
PDB id Resolution Class Description Source Keywords
1J39 1.87 Å EC: 2.4.1.27 CRYSTAL STRUCTURE OF T4 PHAGE BGT IN COMPLEX WITH ITS UDP-GL SUBSTRATE ENTEROBACTERIA PHAGE T4 GLYCOSYLTRANSFERASE GT-B UDP-GLUCOSE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE T4 PHAGE BETA-GLUCOSYLTRA AND THE D100A MUTANT IN COMPLEX WITH UDP-GLUCOSE: G BINDING AND IDENTIFICATION OF THE CATALYTIC BASE FO DIRECT DISPLACEMENT MECHANISM. J.MOL.BIOL. V. 330 1077 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:501;
A:502;
A:503;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
UPG A:400;
Valid;
none;
submit data
566.302 C15 H24 N2 O17 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1J39 1.87 Å EC: 2.4.1.27 CRYSTAL STRUCTURE OF T4 PHAGE BGT IN COMPLEX WITH ITS UDP-GL SUBSTRATE ENTEROBACTERIA PHAGE T4 GLYCOSYLTRANSFERASE GT-B UDP-GLUCOSE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE T4 PHAGE BETA-GLUCOSYLTRA AND THE D100A MUTANT IN COMPLEX WITH UDP-GLUCOSE: G BINDING AND IDENTIFICATION OF THE CATALYTIC BASE FO DIRECT DISPLACEMENT MECHANISM. J.MOL.BIOL. V. 330 1077 2003
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JG6 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1J39 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NZD - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1QKJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 2BGU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 1C3J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 1NZF - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
8 1JG7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
9 1BGU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1NVK - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1JIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 1JIV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1JIU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JG6 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1J39 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NZD - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1QKJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 2BGU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 1C3J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 1NZF - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
8 1JG7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
9 1BGU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1NVK - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1JIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 1JIV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1JIU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JG6 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1J39 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NZD - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1QKJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 2BGU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 1C3J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 1NZF - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
8 1JG7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
9 1BGU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1NVK - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1JIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 1JIV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1JIU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UPG; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 GUD 1 1
2 GDU 1 1
3 UPG 1 1
4 UFM 1 1
5 USQ 0.8 0.846154
6 U2F 0.797619 0.943662
7 UPF 0.797619 0.943662
8 UFG 0.797619 0.943662
9 UD2 0.73913 0.985294
10 UD1 0.73913 0.985294
11 UGB 0.738636 0.985075
12 UGA 0.738636 0.985075
13 UDP 0.717949 0.941176
14 UDX 0.715909 0.970588
15 UAD 0.715909 0.970588
16 UTP 0.7125 0.941176
17 IUG 0.693878 0.835443
18 G3N 0.692308 0.942857
19 C5G 0.688889 0.943662
20 660 0.681818 0.956522
21 URM 0.681818 0.956522
22 UPU 0.670588 0.970149
23 EPZ 0.650485 0.971014
24 3UC 0.648936 0.943662
25 UNP 0.647059 0.914286
26 EPU 0.644231 0.957143
27 EEB 0.644231 0.957143
28 U5P 0.641026 0.926471
29 U 0.641026 0.926471
30 UD7 0.636364 0.956522
31 HP7 0.636364 0.970588
32 2GW 0.632653 0.957143
33 MJZ 0.63 0.942857
34 F5G 0.623762 0.956522
35 UD4 0.623762 0.942857
36 F5P 0.623762 0.942857
37 UPP 0.615385 0.942029
38 UDH 0.615385 0.866667
39 UDZ 0.615385 0.88
40 UMA 0.598214 0.971014
41 44P 0.597561 0.901408
42 UDM 0.59596 0.942857
43 HWU 0.592233 0.929577
44 12V 0.592233 0.929577
45 1GW 0.590476 0.917808
46 2KH 0.586207 0.914286
47 Y6W 0.585106 0.916667
48 UDP UDP 0.576471 0.911765
49 U22 0.567797 0.8375
50 U20 0.567797 0.858974
51 U21 0.567797 0.858974
52 URI 0.552632 0.865672
53 CJB 0.551282 0.850746
54 UP5 0.527273 0.855263
55 UAG 0.523438 0.917808
56 2QR 0.520325 0.848101
57 DAU 0.519608 0.891892
58 UA3 0.511905 0.911765
59 U3P 0.511905 0.911765
60 CSV 0.504762 0.878378
61 CSQ 0.504762 0.878378
62 4TC 0.504425 0.833333
63 U U 0.5 0.927536
64 4RA 0.492308 0.857143
65 UD0 0.484848 0.846154
66 PUP 0.480392 0.887324
67 UML 0.478571 0.858974
68 U2P 0.476744 0.926471
69 CXY 0.471154 0.916667
70 GDD 0.463636 0.8
71 GKE 0.463636 0.8
72 GDC 0.463636 0.8
73 A U 0.461538 0.831169
74 HF4 0.447917 0.888889
75 CTP 0.447917 0.888889
76 CDP 0.446809 0.888889
77 ADQ 0.443396 0.828947
78 DKX 0.44186 0.774648
79 G U 0.441667 0.790123
80 U2S 0.43956 0.77027
81 UMF 0.438202 0.833333
82 U4S 0.433333 0.733333
83 DUT 0.43299 0.861111
84 U3S 0.423913 0.756757
85 5GW 0.421569 0.915493
86 DUD 0.421053 0.861111
87 5FU 0.417582 0.863014
88 C2G 0.417476 0.902778
89 UPA 0.416667 0.868421
90 U1S 0.415842 0.776316
91 7XL 0.415842 0.890411
92 U U U U 0.413462 0.913043
93 2TU 0.411765 0.777778
94 UTP U U U 0.409524 0.897059
95 139 0.406504 0.835443
96 APU 0.401639 0.831169
97 PMP UD1 0.40146 0.835443
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1J39; Ligand: UPG; Similar sites found with APoc: 65
This union binding pocket(no: 1) in the query (biounit: 1j39.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 1ZEI CRS None
3 2ZWS PLM 1.1396
4 1F6D UDP 1.7094
5 4A59 AMP 1.7094
6 4MG9 27K 1.96078
7 3RET PYR 1.9802
8 3RET SAL 1.9802
9 3GDN MXN 1.9943
10 2QZS 250 1.9943
11 2QZS GLC 1.9943
12 2QZS ADP 1.9943
13 2XA2 UPG 2.2792
14 2GEK GDP 2.5641
15 3Q3H UDP 2.5641
16 3IT1 TLA 2.5641
17 5LJW ANP 2.59366
18 3AIA SAM 2.8436
19 2IV3 UDP 2.92398
20 3E3U NVC 3.04569
21 1WDK N8E 3.1339
22 5LKC FUC GLA A2G 3.24675
23 4EE7 PIS 3.28947
24 3UPY FOM 3.37079
25 3OKA GDD 3.4188
26 3OKP GDD 3.4188
27 3B6R CRN 3.4188
28 4I9B 1KA 3.4188
29 1GPM AMP 3.4188
30 1RY2 AMP 3.4188
31 3AJ6 NGA 3.4965
32 2W41 ADP 3.7037
33 3BBH SFG 3.90244
34 3OTI TYD 3.9886
35 1XV5 UDP 3.9886
36 1TVP CBI 4.09556
37 3CV3 UDP 4.2735
38 4X1T UDP 4.2735
39 6GNF ADP 4.2735
40 2IW1 U2F 4.2735
41 5WXK TYD 4.28571
42 4KBA 1QM 4.53172
43 4X7R UDP 4.5584
44 4X7R 3YW 4.5584
45 4X7R NTO 4.5584
46 2Y7P SAL 4.58716
47 1SZO CAX 4.66926
48 6EJI UD2 4.8433
49 3RHZ UDP 6.19469
50 4PQG UDP 6.26781
51 4XSU GLC 6.4433
52 4XSU UDP 6.4433
53 1RZU ADP 6.55271
54 1B09 PC 6.79612
55 4HNN LYS 6.93642
56 5LNW RP5 7.59494
57 5LNW HG3 7.59494
58 5OFI 9TQ 8.19672
59 4UYG 73B 8.28025
60 4G2R H1L 10.2564
61 5Y4R C2E 10.3448
62 3UZO PLP 10.8262
63 2WTX UDP 12.8205
64 2WTX VDO 12.8205
65 5KK4 44E 14.5833
APoc FAQ
Feedback