Receptor
PDB id Resolution Class Description Source Keywords
1NLM 2.5 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF MURG:GLCNAC COMPLEX ESCHERICHIA COLI ROSSMANN FOLD TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF MURG:UDP-GLCNAC COMPLEX REVEAL STRUCTURAL PRINCIPLES OF A SUPERFAMILY OF GLYCOSYLTRANSFERASES PROC.NATL.ACAD.SCI.USA V. 100 845 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:501;
A:502;
A:503;
B:504;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
UD1 A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
607.354 C17 H27 N3 O17 P2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NLM 2.5 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF MURG:GLCNAC COMPLEX ESCHERICHIA COLI ROSSMANN FOLD TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF MURG:UDP-GLCNAC COMPLEX REVEAL STRUCTURAL PRINCIPLES OF A SUPERFAMILY OF GLYCOSYLTRANSFERASES PROC.NATL.ACAD.SCI.USA V. 100 845 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1NLM - 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 22 families.
1 1NLM - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NLM - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
2 3S2U - 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 : 1NLM; Ligand: UD1; Similar sites found: 51
This union binding pocket(no: 1) in the query (biounit: 1nlm.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3Q3H UDP 0.006568 0.42824 1.64835
2 3ITJ CIT 0.009849 0.44269 1.77515
3 2VOH CIT 0.04287 0.4096 1.91083
4 4XSU UDP 0.00256 0.43351 2.06186
5 4XSU GLC 0.00256 0.43351 2.06186
6 5ESO TDP 0.0126 0.41208 2.1978
7 5ESO ISC 0.0126 0.41208 2.1978
8 3B5J 12D 0.01547 0.40937 2.46914
9 2ZJ5 ADP 0.0112 0.41886 2.47253
10 2NUN ADP 0.01459 0.40621 2.47678
11 2IW1 U2F 0.004198 0.42527 2.74725
12 2AWN ADP 0.02162 0.41729 2.74725
13 1G6H ADP 0.01856 0.41246 3.11284
14 1YQT ADP 0.005113 0.43722 3.15985
15 2IV3 UDP 0.007633 0.4038 3.21637
16 4DV8 0LX 0.01385 0.41014 3.2967
17 4DP3 MMV 0.03489 0.40021 3.2967
18 4DP3 NDP 0.03489 0.40021 3.2967
19 3B6C SDN 0.01128 0.41633 3.4188
20 4WZ6 ATP 0.01172 0.41837 3.44828
21 2OG2 MLI 0.01094 0.44248 3.89972
22 3NHB ADP 0.007289 0.42946 4.24837
23 1U72 NDP 0.03488 0.40473 4.30108
24 2VCH UDP 0.00001132 0.54422 4.3956
25 2J5V PCA 0.01202 0.4352 4.3956
26 1T9D P22 0.01575 0.40897 4.3956
27 3CYI ATP 0.02258 0.40399 4.54545
28 3B9Q MLI 0.02635 0.41717 4.63576
29 1D1G NDP 0.01068 0.40385 4.7619
30 4X7R UDP 0.0005544 0.44201 4.94506
31 5KQA GSH 0.012 0.42059 5.30303
32 2WTX VDO 0.009595 0.41983 5.76923
33 2WTX UDP 0.01448 0.40923 5.76923
34 1JJ7 ADP 0.01009 0.42752 6.15385
35 1GXU 2HP 0.04418 0.41021 6.59341
36 1U70 NDP 0.03153 0.40155 6.98925
37 1NVM NAD 0.01434 0.40832 7.37179
38 3HBN UDP 0.001069 0.43727 7.44681
39 4YRY FAD 0.02341 0.407 7.97101
40 3OTI TYD 0.001752 0.41074 8.0402
41 1VBO MAN 0.02449 0.40112 8.05369
42 3WMX THR 0.002058 0.45076 8.10056
43 4HA9 NDP 0.008293 0.40566 8.51648
44 3RSC TYD 0.004906 0.41412 10.989
45 3IAA TYD 0.00644 0.40707 10.989
46 3OKP GDD 0.00476 0.41675 11.2637
47 4RIF 3R2 0.001497 0.44567 12.1372
48 4GYW UDP 0.0152 0.40599 12.9121
49 3H4T UDP 0.0009471 0.44586 14.5604
50 4X1T UDP 0.000009882 0.51863 15.3846
51 3OTH TYD 0.001848 0.43109 34.7087
Pocket No.: 2; Query (leader) PDB : 1NLM; 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: 1nlm.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback