Receptor
PDB id Resolution Class Description Source Keywords
1VGV 2.31 Å EC: 5.1.3.14 CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE_2 EPIMERASE ESCHERICHIA COLI STRUCTURAL GENOMICS ISOMERASE
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UD1 B:385;
C:385;
Valid;
Valid;
none;
none;
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607.354 C17 H27 N3 O17 P2 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VGV 2.31 Å EC: 5.1.3.14 CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE_2 EPIMERASE ESCHERICHIA COLI STRUCTURAL GENOMICS ISOMERASE
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1VGV - UD1 C17 H27 N3 O17 P2 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 4 families.
1 1VGV - UD1 C17 H27 N3 O17 P2 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 3 families.
1 1VGV - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UD1; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 UD2 1 1
2 UD1 1 1
3 UDZ 0.8 0.893333
4 HP7 0.793814 0.985294
5 EPZ 0.75 0.985507
6 EEB 0.742857 0.971429
7 EPU 0.742857 0.971429
8 UD4 0.742574 0.957143
9 UPG 0.73913 0.985294
10 UFM 0.73913 0.985294
11 GUD 0.73913 0.985294
12 GDU 0.73913 0.985294
13 UD7 0.722772 0.971014
14 MJZ 0.715686 0.957143
15 U2F 0.697917 0.930556
16 UPF 0.697917 0.930556
17 UMA 0.690265 0.985507
18 UDM 0.683168 0.957143
19 UFG 0.663265 0.930556
20 HWU 0.660377 0.943662
21 12V 0.660377 0.943662
22 U22 0.655462 0.85
23 U21 0.655462 0.871795
24 U20 0.655462 0.871795
25 UGA 0.65 0.970588
26 UGB 0.65 0.970588
27 USQ 0.633663 0.835443
28 UAD 0.63 0.956522
29 UDX 0.63 0.956522
30 UDP 0.622222 0.927536
31 UTP 0.619565 0.927536
32 UAG 0.617188 0.931507
33 URM 0.6 0.942857
34 660 0.6 0.942857
35 G3N 0.596154 0.929577
36 UPU 0.587629 0.955882
37 4RA 0.584615 0.87013
38 UNP 0.583333 0.901408
39 3UC 0.575472 0.930556
40 UML 0.564286 0.871795
41 IUG 0.561404 0.825
42 U5P 0.555556 0.913043
43 UDP GAL 0.552381 0.956522
44 UD0 0.552239 0.858974
45 UDH 0.543689 0.855263
46 UPP 0.543689 0.928571
47 2KH 0.530612 0.901408
48 44P 0.521277 0.888889
49 C5G 0.518519 0.930556
50 UDP UDP 0.505155 0.898551
51 Y6W 0.504673 0.90411
52 2QR 0.485075 0.860759
53 2GW 0.482759 0.943662
54 U 0.477273 0.852941
55 URI 0.477273 0.852941
56 UP5 0.47541 0.844156
57 1GW 0.467213 0.905405
58 CJB 0.461538 0.838235
59 PMP UD1 0.460432 0.833333
60 4TC 0.456 0.822785
61 UAG API 0.453947 0.881579
62 CSV 0.452991 0.866667
63 CSQ 0.452991 0.866667
64 UA3 0.447917 0.898551
65 U3P 0.447917 0.898551
66 U U 0.446429 0.914286
67 GN1 0.444444 0.753623
68 NG1 0.444444 0.753623
69 PUP 0.429825 0.875
70 CXY 0.422414 0.90411
71 A U 0.418605 0.820513
72 U2P 0.418367 0.913043
73 UMA FGA LYS DAL DAL 0.417178 0.858974
74 U1S 0.409091 0.789474
75 FN5 0.40458 0.883117
76 DAU 0.403361 0.905405
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VGV; Ligand: UD1; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 1vgv.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4V3I ASP LEU THR ARG PRO 0.03141 0.4022 1.16732
2 1OYF MHN 0.03233 0.40232 1.65289
3 3Q3H UDP 0.000757 0.49103 1.82292
4 3P13 RIP 0.01205 0.42315 2.08333
5 3OKP GDD 0.007274 0.42178 3.90625
6 4N39 UDP 0.01369 0.40514 4.42708
7 3ITJ CIT 0.0157 0.42808 4.6875
8 1GCK ASP PLP 0.01241 0.40377 5.46875
9 3OGN 3OG 0.01025 0.40757 5.64516
10 1SW1 PBE 0.02008 0.4144 9.09091
11 3B6C SDN 0.04018 0.40017 10.2564
12 4WGF HX2 0.004621 0.45304 10.7317
13 1LNX URI 0.04109 0.40299 13.5802
Pocket No.: 2; Query (leader) PDB : 1VGV; Ligand: UD1; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 1vgv.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GN2 C5P 0.01458 0.43303 2.63158
2 3AI3 SOE 0.02242 0.41497 3.04183
3 5U83 ZN8 0.03066 0.40771 5.18868
4 3TDC 0EU 0.02788 0.41352 10.4167
5 5WUU 7UU 0.02341 0.41592 12.2302
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