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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 TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF TWO HUMAN PYROPHOSPHORYLASE I IN COMPLEXES WITH UDPGLC(GAL)NAC: ROLE OF THE ALTER SPLICED INSERT IN THE ENZYME OLIGOMERIC ASSEMBLY AN 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 TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF TWO HUMAN PYROPHOSPHORYLASE I IN COMPLEXES WITH UDPGLC(GAL)NAC: ROLE OF THE ALTER SPLICED INSERT IN THE ENZYME OLIGOMERIC ASSEMBLY AN 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: 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 : 1JV1; Ligand: UD1; Similar sites found with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 1jv1.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1W55 C 1.34771
2 5GOP SUC 1.51844
3 3N2O AG2 1.58416
4 3ZF8 GDP 1.63934
5 1RJW ETF 1.76991
6 1YKD CMP 2.01005
7 5C9P FUC 2.09974
8 5MM0 GDD 2.13904
9 4IKZ AFS 2.17822
10 1FW1 GSH 2.31481
11 2CST MAE 2.43309
12 5KR7 6X9 2.45232
13 6F4W FMC 2.57511
14 1V2F HCI 2.88714
15 2VWT PYR 2.99625
16 2J5V PCA 2.99728
17 1JT1 MCO 3.04183
18 3I7S PYR 3.08219
19 4BXF AKG 3.16742
20 6F5W KG1 3.25203
21 5WZU 7W3 3.25203
22 2H5Z CTO 3.27869
23 1FDJ 13P 3.30579
24 1AF6 GLC FRU 3.32542
25 4Y7U 2KH 3.4632
26 4Y7U 491 3.4632
27 1YP4 ADQ 3.56436
28 1YP4 ADP 3.56436
29 1H7F C5P 3.67347
30 5DT6 GLU 3.74532
31 2BMB PMM 3.76238
32 3K8D CTP 3.78788
33 4M4K XYP XYP 3.83275
34 4M4K GDU 3.83275
35 6ACS CIT 3.87597
36 1HV9 UD1 3.94737
37 2XWL CTP 4.03587
38 3OF1 CMP 4.06504
39 1LVW TYD 4.0678
40 5W75 SUC 4.08163
41 5Z0A NAG 4.15648
42 6H0B UDP 4.15842
43 2PA4 UPG 4.33437
44 1H5S TMP 4.43686
45 1H5R THM 4.43686
46 1H5T DAU 4.43686
47 1H5R G1P 4.43686
48 1IIM TTP 4.45205
49 2IDV M7G 4.51977
50 4JD0 1KH 4.78088
51 1EYR CDP 4.82456
52 1S20 TLA 5
53 1NBU PH2 5.04202
54 5A07 GDP 5.06912
55 1I52 CTP 5.08475
56 3THR C2F 5.46075
57 2HK1 FUD 5.50162
58 3CKJ CIT 5.77508
59 4DEC UDP 5.81395
60 4DEC 3PG 5.81395
61 4LOC OXM 5.94059
62 1WOQ BGC 5.99251
63 5KJZ PCG 6
64 3JUK UPG 6.04982
65 2X65 M1P 6.25
66 2BO4 FLC 6.29723
67 3BJE URA 6.30372
68 4KQL 1SG 6.35965
69 5CKW ANP 6.43016
70 5HS2 CTP 6.46552
71 5VLQ ANP 6.53465
72 1WVC CTP 6.56371
73 1XDS SAM 7.21925
74 1X0P FAD 7.69231
75 5LNE A2G GAL 8.53659
76 1W6F ISZ 8.63309
77 3GXO SAH 8.67209
78 3GWZ SAH 8.67209
79 2QGI UDP 8.87097
80 3P7N FMN 8.91473
81 2QUN FUD 8.96552
82 2P39 SCR 9.03226
83 3U40 ADN 9.50413
84 3LGS ADE 10.1124
85 3LGS SAH 10.1124
86 2OG2 MLI 10.585
87 5VJN IR8 10.6952
88 2FKA BEF 10.8527
89 3VPD CIT 11.032
90 4G6I RS3 11.9048
91 1FRW GTP 12.3711
92 2OEG UPG 16.2376
93 2PYY GLU 18.4211
94 1LNX URI 18.5185
95 2ICY UPG 18.7633
96 1L7N ALF 18.9573
97 1QGQ UDP 21.9608
98 3OH3 UAD 24.1584
99 3ZIA ADP 29.5082
Pocket No.: 2; Query (leader) PDB : 1JV1; Ligand: UD1; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 1jv1.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5CQG 55C 1.58416
2 2OEM 1AE 1.93705
3 5AWM ANP 2.28426
4 5G6U TRP 2.29885
5 5Y3N 8MF 2.39044
6 4JWK CTN 2.59067
7 3GFZ FMN 2.90557
8 5Z74 SUC 3.06346
9 2VEG PMM 3.18471
10 4MZU TDR 3.20513
11 2C5S AMP 3.38983
12 4AVV CD 3.43137
13 4AVV GHE 3.43137
14 3GBE NOJ 3.76238
15 3C8F MT2 4.08163
16 1V84 UDP 4.34783
17 2WJG GDP 4.78723
18 2UYQ SAM 4.83871
19 3NFZ 3NF 5.50459
20 4FGC PQ0 6.06061
21 5DKK FMN 6.2069
22 1DQN IMU 6.52174
23 3ASZ C5P 8.05687
24 1QFT HSM 9.14286
25 1MID LAP 9.89011
26 1QH8 HCA 10.6695
27 1KZL CRM 11.0577
28 3HO6 IHP 11.236
29 4WES HCA 12.8821
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