Receptor
PDB id Resolution Class Description Source Keywords
1JV1 1.9 Å EC: 2.7.7.23 CRYSTAL STRUCTURE OF HUMAN AGX1 COMPLEXED WITH UDPGLCNAC HOMO SAPIENS NUCLEOTIDYLTRANSFERASE ALTERNATIVE SPLICING
Ref.: CRYSTAL STRUCTURES OF TWO HUMAN PYROPHOSPHORYLASE ISOFORMS IN COMPLEXES WITH UDPGLC(GAL)NAC: ROLE OF THE ALTERNATIVELY SPLICED INSERT IN THE ENZYME OLIGOMERIC ASSEMBLY AND ACTIVE SITE ARCHITECTURE. EMBO J. V. 20 6191 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UD1 A:901;
B:902;
Valid;
Valid;
none;
none;
submit data
607.354 C17 H27 N3 O17 P2 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JV1 1.9 Å EC: 2.7.7.23 CRYSTAL STRUCTURE OF HUMAN AGX1 COMPLEXED WITH UDPGLCNAC HOMO SAPIENS NUCLEOTIDYLTRANSFERASE ALTERNATIVE SPLICING
Ref.: CRYSTAL STRUCTURES OF TWO HUMAN PYROPHOSPHORYLASE ISOFORMS IN COMPLEXES WITH UDPGLC(GAL)NAC: ROLE OF THE ALTERNATIVELY SPLICED INSERT IN THE ENZYME OLIGOMERIC ASSEMBLY AND ACTIVE SITE ARCHITECTURE. EMBO J. V. 20 6191 2001
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1JVD - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
2 1JV1 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
3 1JVG - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
4 1JV3 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1JVD - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
2 1JV1 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
3 1JVG - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
4 1JV3 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JVD - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
2 1JV1 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
3 1JVG - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
4 1JV3 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
5 2YQH - GN1 C8 H16 N O9 P CC(=O)N[C@....
6 2YQS - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
7 2YQJ - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
8 4BQH Kd = 2.58 uM 9VU C18 H14 Br N O5 Cc1ccc2c(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 : 1JV1; Ligand: UD1; Similar sites found: 37
This union binding pocket(no: 1) in the query (biounit: 1jv1.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MM0 GDD 0.006222 0.40279 2.13904
2 1FW1 GSH 0.01077 0.41761 2.31481
3 2CST MAE 0.03001 0.41064 2.43309
4 5MX4 HPA 0.001118 0.49137 2.57511
5 2J5V PCA 0.04056 0.40254 2.99728
6 1AF6 GLC FRU 0.04488 0.40177 3.32542
7 4Y7U 2KH 0.00009681 0.45105 3.4632
8 1YP4 ADQ 0.0000002315 0.53596 3.56436
9 1YP4 ADP 0.0001942 0.40307 3.56436
10 4G87 UD1 0.000000007881 0.61211 3.79242
11 4M4K XYP XYP 0.006759 0.41 3.83275
12 1HV9 UD1 0.000001388 0.57641 3.94737
13 2PA4 UPG 0.0000004984 0.54435 4.33437
14 1H5T DAU 0.000004059 0.51897 4.43686
15 1H5R G1P 0.0007123 0.47964 4.43686
16 1IIM TTP 0.000003558 0.47533 4.45205
17 1SN0 T44 0.02656 0.40197 4.61538
18 4JD0 1KH 0.0071 0.44397 4.78088
19 1S20 TLA 0.01017 0.40764 5
20 5A07 GDP 0.0222 0.40955 5.06912
21 1I52 CTP 0.0001389 0.45236 5.08475
22 3CKJ CIT 0.0006284 0.43694 5.77508
23 1WOQ BGC 0.0242 0.40763 5.99251
24 3JUK UPG 0.0000004483 0.53197 6.04982
25 1JYL CDC 0.00000435 0.47095 6.29921
26 4KQL 1SG 0.00006812 0.47717 6.35965
27 3T2W BTN 0.02455 0.40731 6.55738
28 1WVC CTP 0.00002317 0.50249 6.56371
29 3GXO SAH 0.02277 0.40183 8.67209
30 3P7N FMN 0.01014 0.40848 8.91473
31 3LGS ADE 0.01306 0.43132 10.1124
32 2OG2 MLI 0.03042 0.4162 10.585
33 2FKA BEF 0.008332 0.44406 10.8527
34 1FRW GTP 0.00005865 0.52071 12.3711
35 2OEG UPG 0.000000005374 0.58092 16.2376
36 2ICY UPG 0.00000001373 0.642 18.7633
37 3OH3 UAD 0.00000000008695 0.65638 24.1584
Pocket No.: 2; Query (leader) PDB : 1JV1; Ligand: UD1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1jv1.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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