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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 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 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: 79
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 EPU 0.742857 0.971429
7 EEB 0.742857 0.971429
8 F5P 0.742574 0.957143
9 UD4 0.742574 0.957143
10 F5G 0.742574 0.971014
11 UFM 0.73913 0.985294
12 GUD 0.73913 0.985294
13 UPG 0.73913 0.985294
14 GDU 0.73913 0.985294
15 UD7 0.722772 0.971014
16 MJZ 0.715686 0.957143
17 U2F 0.697917 0.930556
18 UPF 0.697917 0.930556
19 UMA 0.690265 0.985507
20 UDM 0.683168 0.957143
21 UFG 0.663265 0.930556
22 12V 0.660377 0.943662
23 HWU 0.660377 0.943662
24 U22 0.655462 0.85
25 U20 0.655462 0.871795
26 U21 0.655462 0.871795
27 UGB 0.65 0.970588
28 UGA 0.65 0.970588
29 USQ 0.633663 0.835443
30 UDX 0.63 0.956522
31 UAD 0.63 0.956522
32 UDP 0.622222 0.927536
33 UTP 0.619565 0.927536
34 UAG 0.617188 0.931507
35 660 0.6 0.942857
36 URM 0.6 0.942857
37 G3N 0.596154 0.929577
38 UPU 0.587629 0.955882
39 4RA 0.584615 0.87013
40 UNP 0.583333 0.901408
41 3UC 0.575472 0.930556
42 UML 0.564286 0.871795
43 IUG 0.561404 0.825
44 U5P 0.555556 0.913043
45 U 0.555556 0.913043
46 UD0 0.552239 0.858974
47 UPP 0.543689 0.928571
48 UDH 0.543689 0.855263
49 2KH 0.530612 0.901408
50 44P 0.521277 0.888889
51 C5G 0.518519 0.930556
52 UDP UDP 0.505155 0.898551
53 Y6W 0.504673 0.90411
54 2QR 0.485075 0.860759
55 2GW 0.482759 0.943662
56 URI 0.477273 0.852941
57 UP5 0.47541 0.844156
58 PMP UD1 0.467626 0.848101
59 1GW 0.467213 0.905405
60 CJB 0.461538 0.838235
61 UAG API 0.457516 0.87013
62 4TC 0.456 0.822785
63 CSV 0.452991 0.866667
64 CSQ 0.452991 0.866667
65 U3P 0.447917 0.898551
66 UA3 0.447917 0.898551
67 U U 0.446429 0.914286
68 NG1 0.444444 0.753623
69 GN1 0.444444 0.753623
70 C30 0.433628 0.696203
71 PUP 0.429825 0.875
72 CXY 0.422414 0.90411
73 A U 0.418605 0.820513
74 U2P 0.418367 0.913043
75 UMA FGA LYS DAL DAL 0.414634 0.8375
76 U1S 0.409091 0.789474
77 FN5 0.40458 0.883117
78 DAU 0.403361 0.905405
79 G U 0.401515 0.780488
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VGV; Ligand: UD1; Similar sites found with APoc: 74
This union binding pocket(no: 1) in the query (biounit: 1vgv.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1JQY A32 None
2 4V3I ASP LEU THR ARG PRO 1.16732
3 4OKS 2T9 1.5625
4 1OYF MHN 1.65289
5 6HL7 CP 1.72414
6 3Q3H UDP 1.82292
7 1PCA CIT 1.82292
8 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.82292
9 3OID TCL 1.93798
10 3WW2 SF9 1.95312
11 1U26 IHS 2.07715
12 3P13 RIP 2.08333
13 2Q8M AMP 2.10843
14 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.17391
15 1JA9 PYQ 2.18978
16 4WOE 3S5 2.34375
17 2GJ5 VD3 2.46914
18 5W6Y TRP 2.53165
19 4IA6 EIC 2.60417
20 4XSU UDP 2.60417
21 4XSU GLC 2.60417
22 3X27 TRP 2.86458
23 4WBD CIT 2.86458
24 5B0I BOG 2.91545
25 4HE2 AMP 2.95858
26 4G5H UD7 3.0303
27 3GDN MXN 3.07102
28 1U08 PLP 3.38542
29 6CZY PMP 3.59116
30 4TVD BGC 3.64583
31 4RYV ZEA 3.87097
32 5OSW DIU 3.90625
33 3OKP GDD 3.90625
34 5FYR INS 4.02685
35 6MA3 JAJ 4.42708
36 5LWY OLB 4.45205
37 6APL C5P 4.54545
38 4G86 BNT 4.57746
39 4A05 CBI 4.67033
40 2HHP FLC 4.6875
41 3ITJ CIT 4.6875
42 5LXT GDP 4.6875
43 6BR8 6OU 5.15873
44 6EOM ALA LYS 5.20833
45 4LSJ LSJ 5.42636
46 1GCK ASP PLP 5.46875
47 3OGN 3OG 5.64516
48 2QQC AG2 5.66038
49 1N13 AG2 5.76923
50 6B2W AG2 5.98958
51 3UG4 AHR 6.77083
52 2YFB SIN 6.97674
53 4TV1 36M 7.17131
54 5EY0 GTP 8.75912
55 1SW1 PBE 9.09091
56 1ZX5 LFR 10
57 2GEK GDP 10.1562
58 3B6C SDN 10.2564
59 5XJ7 87O 10.4478
60 4WGF HX2 10.7317
61 2Y69 CHD 13.1783
62 1LNX URI 13.5802
63 1OI6 TMP 13.6585
64 5MLJ 9ST 15.1786
65 5Z84 CHD 16.0714
66 5ZCO CHD 16.0714
67 5W97 CHD 16.0714
68 5ZCO PGV 16.0714
69 2DYR PGV 16.0714
70 5ZQ4 AMP 17.9487
71 5V03 658 18.1208
72 3OKA GDD 19.0476
73 5XVS NAG 42.4802
74 5XVS UDP 42.4802
Pocket No.: 2; Query (leader) PDB : 1VGV; Ligand: UD1; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 1vgv.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6F90 MVL 2.60417
2 5F06 GSH 2.77778
3 2YIV YIV 2.86458
4 6F92 MVL 2.86458
5 3AI3 SOE 3.04183
6 5T9C G3P 3.35821
7 4XZ3 ACP 3.47826
8 3PPQ CHT 3.53698
9 2HJ9 AI2 4.97738
10 5U83 ZN8 5.18868
11 3IVM ZPR 5.20833
12 2JLB UDM 5.72917
13 4NTO 1PW 5.7971
14 1MT1 AG2 6.19469
15 6BMS POV 6.45161
16 1HBK MYR 7.86517
17 5FQ0 FLC 7.89474
18 3TDC 0EU 10.4167
19 5WUU 7UU 12.2302
20 3KPE TM3 15.6863
21 5Z84 PGV 16.0714
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