Receptor
PDB id Resolution Class Description Source Keywords
3HBN 1.85 Å EC: 3.-.-.- CRYSTAL STRUCTURE PSEG-UDP COMPLEX FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI SUBSP. JEJUNI UDP-SUGAR HYDROLASE PSEG HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF CAMPYLOBACTER PSEG: A UDP-SUGAR HYDROLASE FROM THE PSEUDAMINIC AC BIOSYNTHETIC PATHWAY. J.BIOL.CHEM. V. 284 20989 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:304;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:302;
A:303;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
UDP A:301;
Valid;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HBN 1.85 Å EC: 3.-.-.- CRYSTAL STRUCTURE PSEG-UDP COMPLEX FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI SUBSP. JEJUNI UDP-SUGAR HYDROLASE PSEG HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF CAMPYLOBACTER PSEG: A UDP-SUGAR HYDROLASE FROM THE PSEUDAMINIC AC BIOSYNTHETIC PATHWAY. J.BIOL.CHEM. V. 284 20989 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3HBN - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3HBN - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3HBN - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDP; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U5P 0.78125 0.984615
5 UPU 0.72973 0.940298
6 2KH 0.722222 0.970149
7 44P 0.720588 0.955882
8 URM 0.717949 0.927536
9 GUD 0.717949 0.941176
10 GDU 0.717949 0.941176
11 UFM 0.717949 0.941176
12 UPG 0.717949 0.941176
13 660 0.717949 0.927536
14 UDP UDP 0.714286 0.939394
15 UDH 0.705128 0.864865
16 UPP 0.705128 0.941176
17 UPF 0.691358 0.888889
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UDX 0.670732 0.941176
21 UAD 0.670732 0.941176
22 3UC 0.658824 0.888889
23 USQ 0.654762 0.820513
24 UGB 0.654762 0.955224
25 UGA 0.654762 0.955224
26 G3N 0.647059 0.914286
27 UDM 0.636364 0.914286
28 URI 0.625 0.863636
29 U 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 UDP GAL 0.611765 0.913043
33 Y6W 0.607143 0.888889
34 CDP 0.605263 0.942029
35 UD7 0.591398 0.927536
36 HP7 0.591398 0.941176
37 MJZ 0.585106 0.914286
38 IUG 0.583333 0.810127
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 UD4 0.578947 0.914286
42 CJB 0.573529 0.820895
43 UDZ 0.571429 0.853333
44 DUD 0.571429 0.913043
45 UP5 0.571429 0.853333
46 U U 0.563218 0.955224
47 EPZ 0.56 0.914286
48 5GW 0.559524 0.942029
49 EPU 0.554455 0.901408
50 EEB 0.554455 0.901408
51 UA3 0.547945 0.939394
52 U3P 0.547945 0.939394
53 CH 0.546667 0.913043
54 4TC 0.544554 0.831169
55 CTP 0.54321 0.942029
56 CSV 0.531915 0.851351
57 CSQ 0.531915 0.851351
58 DUT 0.52439 0.913043
59 4GW 0.516484 0.915493
60 UMA 0.513761 0.914286
61 U4S 0.513158 0.753425
62 U2P 0.506667 0.954545
63 U2S 0.5 0.767123
64 U3S 0.5 0.753425
65 PUP 0.48913 0.913043
66 U22 0.486957 0.790123
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 DKX 0.486486 0.746479
70 U1S 0.482759 0.75
71 A U 0.481132 0.805195
72 2QR 0.478632 0.822785
73 5FU 0.474359 0.914286
74 8OD 0.47191 0.851351
75 C5G 0.468085 0.888889
76 7XL 0.465909 0.888889
77 U U U U 0.461538 0.940298
78 UMF 0.461538 0.857143
79 G8D 0.460674 0.855263
80 UTP U U U 0.456522 0.895522
81 2TU 0.452055 0.774648
82 4RA 0.451613 0.855263
83 C2G 0.450549 0.901408
84 DU 0.45 0.898551
85 CAR 0.45 0.927536
86 C 0.45 0.927536
87 C5P 0.45 0.927536
88 UMP 0.45 0.898551
89 UAG 0.448 0.864865
90 CDC 0.446809 0.777778
91 UD0 0.444444 0.844156
92 5BU 0.444444 0.914286
93 N3E 0.440476 0.733333
94 UC5 0.440476 0.9
95 UUA 0.438356 0.772727
96 DUP 0.431818 0.887324
97 2GW 0.431373 0.901408
98 M7G 0.430108 0.780488
99 CNU 0.428571 0.927536
100 CDM 0.427083 0.842105
101 H6Y 0.425532 0.851351
102 16B 0.421687 0.888889
103 S5P 0.419753 0.915493
104 8GT 0.419355 0.855263
105 CXY 0.418367 0.888889
106 UPA 0.418182 0.842105
107 CDP MG 0.413793 0.849315
108 U2G 0.410714 0.822785
109 U A A U 0.409836 0.842105
110 UML 0.408759 0.810127
111 UP6 0.407407 0.871429
112 M7M 0.40625 0.771084
113 PMP UD1 0.404762 0.794872
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HBN; Ligand: UDP; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 3hbn.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JXN MFU 0.01569 0.40855 None
2 3BU1 HSM 0.02061 0.40345 None
3 2IYF UDP 0.007241 0.42124 1.41844
4 3OKP GDD 0.01012 0.40176 2.12766
5 5XDT MB3 0.02028 0.40124 2.12766
6 1O68 KIV 0.01556 0.40923 2.18182
7 3UYK 0CX 0.01246 0.41339 2.48227
8 3M89 GSP 0.007224 0.41248 2.48227
9 2IV3 UDP 0.005061 0.4117 2.48227
10 2FAH MLA 0.01494 0.41014 2.79605
11 5V2J 7WV 0.003436 0.43483 2.83688
12 5V2J UDP 0.003436 0.43483 2.83688
13 2IYA UDP 0.003403 0.41533 2.83688
14 3PUN FUC GAL NDG FUC 0.01966 0.4066 2.83688
15 1F20 NAP 0.009333 0.40336 2.83688
16 3OTH TYD 0.002369 0.42629 3.19149
17 3ZNN FAD 0.02771 0.41312 3.19149
18 4FFG 0U8 0.004698 0.44639 3.45528
19 1RRV TYD 0.003104 0.41707 3.5461
20 4JZ8 CIT 0.01803 0.40329 3.5461
21 2G50 PYR 0.005206 0.43311 3.90071
22 3OTI TYD 0.001425 0.41427 3.90071
23 3GUZ PAF 0.02892 0.40274 3.97727
24 3I9U DTU 0.0207 0.40102 4.18251
25 4RIF 3R2 0.001781 0.44224 4.60993
26 3S2U UD1 0.001617 0.41349 4.96454
27 2GMV PEP 0.01403 0.41314 4.96454
28 2GEK GDP 0.0001259 0.49472 5.41872
29 4Q3F TLA 0.04297 0.40265 5.98291
30 2ACV UDP 0.001961 0.43434 6.02837
31 4X1Z FUC GAL NDG 0.02778 0.4016 6.02837
32 3IAA TYD 0.004907 0.403 6.38298
33 5UAO FAD 0.02759 0.40179 6.38298
34 4XSU UDP 0.0002643 0.47821 7.0922
35 4XSU GLC 0.0003097 0.47509 7.0922
36 4X1T UDP 0.0001688 0.46616 7.0922
37 1NLM UD1 0.001069 0.43727 7.44681
38 3HBF UDP 0.002654 0.40882 8.15603
39 1C3V PDC 0.00869 0.42423 8.16327
40 4X7R UDP 0.0009789 0.43249 8.51064
41 5AVF TAU 0.01904 0.40048 8.56031
42 5EYP GTP 0.0148 0.40026 9.46746
43 2IW1 U2F 0.0002135 0.4162 13.8298
44 3HQP OXL 0.007688 0.42428 14.8936
45 5KY4 GDP 0.01393 0.40302 20
46 4PQG UDP 0.001365 0.42156 23.7589
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