Receptor
PDB id Resolution Class Description Source Keywords
4MIX 1.8 Å EC: 2.4.1.- PATOXG GLYCOSYLTRANSFERASE PHOTORHABDUS ASYMBIOTICA SUBSP. ASYMBIORGANISM_TAXID: 553480 TYROSINE GLYCOSYLATION UDP-GLCNAC NUCLEOTIDE-BINDING DOMAIROSSMANN-LIKE GLYCOSYLTRANSFERASE RHO-PROTEINS TRANSFERA
Ref.: A BACTERIAL TOXIN CATALYZING TYROSINE GLYCOSYLATION AND DEAMIDATION OF GQ AND GI PROTEINS. NAT.STRUCT.MOL.BIOL. V. 20 1273 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:2501;
B:2502;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
UD1 A:2502;
B:2501;
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
4MIX 1.8 Å EC: 2.4.1.- PATOXG GLYCOSYLTRANSFERASE PHOTORHABDUS ASYMBIOTICA SUBSP. ASYMBIORGANISM_TAXID: 553480 TYROSINE GLYCOSYLATION UDP-GLCNAC NUCLEOTIDE-BINDING DOMAIROSSMANN-LIKE GLYCOSYLTRANSFERASE RHO-PROTEINS TRANSFERA
Ref.: A BACTERIAL TOXIN CATALYZING TYROSINE GLYCOSYLATION AND DEAMIDATION OF GQ AND GI PROTEINS. NAT.STRUCT.MOL.BIOL. V. 20 1273 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 4MIX - 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 4MIX - 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 17 families.
1 4MIX - 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 : 4MIX; Ligand: UD1; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 4mix.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IRP UDP 0.0108 0.41685 1.99203
2 3V91 UPG 0.01192 0.40198 2.06186
3 4J7Q B7N 0.02529 0.40085 2.4024
4 3U2U UDP 0.003373 0.44043 2.6616
5 3CU0 GAL GAL SO4 0.003325 0.44072 2.84698
6 3IOI 1GW 0.006906 0.42563 3.3557
7 3JSZ UPG 0.000001215 0.52608 3.86905
8 4ZGM 32M 0.01477 0.4141 4.91803
9 4QJL COA 0.01159 0.40566 5.95745
10 1DCP HBI 0.02949 0.40934 7.69231
11 2WZF UDP 0.00003344 0.51228 10.119
12 2WZF BGC 0.01288 0.41196 10.119
13 3SP6 IL2 0.006914 0.40746 12.9825
14 3KDU NKS 0.01141 0.42071 13.3574
15 3HRD FAD 0.01815 0.41468 13.75
16 2VL8 CTS 0.000000005765 0.68017 23.8095
17 2VL8 UDP 0.000000006891 0.68017 23.8095
Pocket No.: 2; Query (leader) PDB : 4MIX; Ligand: UD1; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 4mix.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LNX URI 0.01706 0.40377 None
2 3KU0 ADE 0.01423 0.40922 2.78884
3 3CU0 UDP 0.01091 0.40216 2.84698
4 3FUR Z12 0.0312 0.4087 2.94118
5 2ZKJ ADP 0.03492 0.40104 2.97619
6 4ZOM 4Q3 0.03865 0.41871 4.88889
7 5BTX CMP 0.009455 0.41923 6.84932
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