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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 253 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 209 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 173 families.
1 3HBN - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDP; Similar ligands found: 117
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 U 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 UFM 0.717949 0.941176
10 GDU 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GUD 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UPP 0.705128 0.941176
17 UDH 0.705128 0.864865
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 UAD 0.670732 0.941176
22 UDX 0.670732 0.941176
23 3UC 0.658824 0.888889
24 USQ 0.654762 0.820513
25 UGB 0.654762 0.955224
26 UGA 0.654762 0.955224
27 G3N 0.647059 0.914286
28 UDM 0.636364 0.914286
29 URI 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 Y6W 0.607143 0.888889
33 CDP 0.605263 0.942029
34 HP7 0.591398 0.941176
35 UD7 0.591398 0.927536
36 MJZ 0.585106 0.914286
37 IUG 0.583333 0.810127
38 F5G 0.578947 0.927536
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 F5P 0.578947 0.914286
42 UD4 0.578947 0.914286
43 CJB 0.573529 0.820895
44 UDZ 0.571429 0.853333
45 DUD 0.571429 0.913043
46 UP5 0.571429 0.853333
47 U U 0.563218 0.955224
48 EPZ 0.56 0.914286
49 5GW 0.559524 0.942029
50 EPU 0.554455 0.901408
51 EEB 0.554455 0.901408
52 U3P 0.547945 0.939394
53 UA3 0.547945 0.939394
54 4TC 0.544554 0.831169
55 HF4 0.54321 0.942029
56 CTP 0.54321 0.942029
57 CSQ 0.531915 0.851351
58 CSV 0.531915 0.851351
59 DUT 0.52439 0.913043
60 4GW 0.516484 0.915493
61 UMA 0.513761 0.914286
62 U4S 0.513158 0.753425
63 U2P 0.506667 0.954545
64 U2S 0.5 0.767123
65 U3S 0.5 0.753425
66 PUP 0.48913 0.913043
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 U22 0.486957 0.790123
70 DKX 0.486486 0.746479
71 U1S 0.482759 0.75
72 A U 0.481132 0.805195
73 2QR 0.478632 0.822785
74 5FU 0.474359 0.914286
75 G U 0.472222 0.7875
76 8OD 0.47191 0.851351
77 C5G 0.468085 0.888889
78 7XL 0.465909 0.888889
79 U U U U 0.461538 0.940298
80 UMF 0.461538 0.857143
81 G8D 0.460674 0.855263
82 UTP U U U 0.456522 0.895522
83 2TU 0.452055 0.774648
84 4RA 0.451613 0.855263
85 C2G 0.450549 0.901408
86 DU 0.45 0.898551
87 UMP 0.45 0.898551
88 C 0.45 0.927536
89 CAR 0.45 0.927536
90 C5P 0.45 0.927536
91 UAG 0.448 0.864865
92 CDC 0.446809 0.777778
93 5BU 0.444444 0.914286
94 UD0 0.444444 0.844156
95 N3E 0.440476 0.733333
96 UC5 0.440476 0.9
97 UUA 0.438356 0.772727
98 DUP 0.431818 0.887324
99 2GW 0.431373 0.901408
100 M7G 0.430108 0.780488
101 CNU 0.428571 0.927536
102 CDM 0.427083 0.842105
103 H6Y 0.425532 0.851351
104 16B 0.421687 0.888889
105 S5P 0.419753 0.915493
106 8GT 0.419355 0.855263
107 CXY 0.418367 0.888889
108 UPA 0.418182 0.842105
109 U2G 0.410714 0.822785
110 U A A U 0.409836 0.842105
111 UML 0.408759 0.810127
112 UP6 0.407407 0.871429
113 M7M 0.40625 0.771084
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
117 PMP UD1 0.401575 0.7875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HBN; Ligand: UDP; Similar sites found with APoc: 96
This union binding pocket(no: 1) in the query (biounit: 3hbn.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1JXN MFU None
2 3BU1 HSM None
3 5KJW 53C 1.41844
4 2IYF UDP 1.41844
5 1PVN MZP 1.77305
6 3F8D FAD 1.77305
7 3OKP GDD 2.12766
8 5XDT MB3 2.12766
9 3OKA GDD 2.12766
10 1O68 KIV 2.18182
11 5EEH P9P 2.48227
12 5EEH SAH 2.48227
13 3UYK 0CX 2.48227
14 3M89 GSP 2.48227
15 2IV3 UDP 2.48227
16 2FAH MLA 2.79605
17 5V2J UDP 2.83688
18 5V2J 7WV 2.83688
19 2IYA UDP 2.83688
20 3WGT QSC 2.83688
21 3WGT FAD 2.83688
22 6FBA D48 2.83688
23 3PUN FUC GAL NDG FUC 2.83688
24 1F20 NAP 2.83688
25 5OFW 9TW 3.13901
26 3OTH TYD 3.19149
27 5YB7 ORN 3.19149
28 3OTH CLJ 3.19149
29 3ZNN 4WL 3.19149
30 3ZNN FAD 3.19149
31 3ZUY TCH 3.19149
32 4S00 AKR 3.19149
33 5YSI NCA 3.28947
34 4FFG 0U8 3.45528
35 6EJI UD2 3.5461
36 5W8X UDP 3.5461
37 1RRV TYD 3.5461
38 4LHD GLY 3.5461
39 1ONX ASP 3.5461
40 4JZ8 CIT 3.5461
41 5ICE 2H4 3.5461
42 2VCH UDP 3.90071
43 2G50 PYR 3.90071
44 2WTX VDO 3.90071
45 2WTX UDP 3.90071
46 3OTI TYD 3.90071
47 3GUZ PAF 3.97727
48 5Z2F PDC 4.15094
49 3I9U DTU 4.18251
50 6AZQ C5J 4.19847
51 5LY1 PPI 4.60993
52 4RIF 3R2 4.60993
53 5G48 1FL 4.60993
54 2BHZ MAL 4.60993
55 3AXM 6PG 4.60993
56 5CIC 51R 4.62963
57 3S2U UD1 4.96454
58 2GMV PEP 4.96454
59 2NXW TPP 5.31915
60 2WET FAD 5.31915
61 2GEK GDP 5.41872
62 2QZS 250 5.67376
63 2QZS GLC 5.67376
64 2QZS ADP 5.67376
65 4RYV ZEA 5.80645
66 2ACV UDP 6.02837
67 4X1Z FUC GAL NDG 6.02837
68 5WS9 OXL 6.38298
69 3RSC TYD 6.38298
70 6H3O FAD 6.38298
71 3IAA TYD 6.38298
72 5UAO FAD 6.38298
73 4XSU GLC 7.0922
74 4XSU UDP 7.0922
75 4X1T UDP 7.0922
76 4R6W PC 7.36434
77 4R6W SAH 7.36434
78 1NLM UD1 7.44681
79 5W7B MYR 7.80142
80 3HBF MYC 8.15603
81 3HBF UDP 8.15603
82 1C3V PDC 8.16327
83 4X7R UDP 8.51064
84 4X7R NTO 8.51064
85 5LXT GTP 8.51064
86 4X7R 3YW 8.51064
87 5AVF TAU 8.56031
88 2C1X UDP 9.21986
89 6GNF ADP 9.21986
90 5EYP GTP 9.46746
91 3GWZ SAH 10.2837
92 5ODQ FAD 10.6383
93 2IW1 U2F 13.8298
94 3HQP OXL 14.8936
95 5KY4 GDP 20
96 4PQG UDP 23.7589
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