Receptor
PDB id Resolution Class Description Source Keywords
1XV5 1.73 Å EC: 2.4.1.26 ALPHA-GLUCOSYLTRANSFERASE (AGT) IN COMPLEX WITH UDP ENTEROBACTERIA PHAGE T4 TRANSFERASE
Ref.: STRUCTURAL EVIDENCE OF A PASSIVE BASE-FLIPPING MECH AGT, AN UNUSUAL GT-B GLYCOSYLTRANSFERASE. J.MOL.BIOL. V. 352 139 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1401;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO A:1403;
A:1404;
A:1405;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL A:2002;
A:2003;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
UDP A:1402;
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
1XV5 1.73 Å EC: 2.4.1.26 ALPHA-GLUCOSYLTRANSFERASE (AGT) IN COMPLEX WITH UDP ENTEROBACTERIA PHAGE T4 TRANSFERASE
Ref.: STRUCTURAL EVIDENCE OF A PASSIVE BASE-FLIPPING MECH AGT, AN UNUSUAL GT-B GLYCOSYLTRANSFERASE. J.MOL.BIOL. V. 352 139 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1XV5 - 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 1 families.
1 1XV5 - 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 1 families.
1 1XV5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDP; Similar ligands found: 103
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U 0.78125 0.984615
5 U5P 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 GUD 0.717949 0.941176
10 UFM 0.717949 0.941176
11 GDU 0.717949 0.941176
12 UPG 0.717949 0.941176
13 UDP UDP 0.714286 0.939394
14 UPP 0.705128 0.941176
15 UDH 0.705128 0.864865
16 UPF 0.691358 0.888889
17 U2F 0.691358 0.888889
18 UFG 0.691358 0.888889
19 UDX 0.670732 0.941176
20 UAD 0.670732 0.941176
21 USQ 0.654762 0.820513
22 UGB 0.654762 0.955224
23 UGA 0.654762 0.955224
24 UDM 0.636364 0.914286
25 URI 0.625 0.863636
26 UD1 0.622222 0.927536
27 UD2 0.622222 0.927536
28 UDP GAL 0.611765 0.913043
29 CDP 0.605263 0.942029
30 HP7 0.591398 0.941176
31 UD7 0.591398 0.927536
32 MJZ 0.585106 0.914286
33 IUG 0.583333 0.810127
34 12V 0.578947 0.901408
35 UD4 0.578947 0.914286
36 HWU 0.578947 0.901408
37 CJB 0.573529 0.820895
38 DUD 0.571429 0.913043
39 UDZ 0.571429 0.853333
40 UP5 0.571429 0.853333
41 U U 0.563218 0.955224
42 EPZ 0.56 0.914286
43 5GW 0.559524 0.942029
44 EPU 0.554455 0.901408
45 EEB 0.554455 0.901408
46 UA3 0.547945 0.939394
47 U3P 0.547945 0.939394
48 4TC 0.544554 0.831169
49 CTP 0.54321 0.942029
50 CSQ 0.531915 0.851351
51 CSV 0.531915 0.851351
52 DUT 0.52439 0.913043
53 4GW 0.516484 0.915493
54 UMA 0.513761 0.914286
55 U4S 0.513158 0.753425
56 U2P 0.506667 0.954545
57 U2S 0.5 0.767123
58 U3S 0.5 0.753425
59 PUP 0.48913 0.913043
60 U21 0.486957 0.810127
61 U20 0.486957 0.810127
62 U22 0.486957 0.790123
63 DKX 0.486486 0.746479
64 U1S 0.482759 0.75
65 A U 0.481132 0.805195
66 2QR 0.478632 0.822785
67 5FU 0.474359 0.914286
68 8OD 0.47191 0.851351
69 C5G 0.468085 0.888889
70 UMF 0.461538 0.857143
71 UTP U U U 0.456522 0.895522
72 2TU 0.452055 0.774648
73 C2G 0.450549 0.901408
74 CAR 0.45 0.927536
75 C 0.45 0.927536
76 UMP 0.45 0.898551
77 DU 0.45 0.898551
78 C5P 0.45 0.927536
79 UAG 0.448 0.864865
80 CDC 0.446809 0.777778
81 UD0 0.444444 0.844156
82 5BU 0.444444 0.914286
83 N3E 0.440476 0.733333
84 UC5 0.440476 0.9
85 DUP 0.431818 0.887324
86 2GW 0.431373 0.901408
87 M7G 0.430108 0.780488
88 CNU 0.428571 0.927536
89 CDM 0.427083 0.842105
90 16B 0.421687 0.888889
91 S5P 0.419753 0.915493
92 8GT 0.419355 0.855263
93 CXY 0.418367 0.888889
94 UPA 0.418182 0.842105
95 CDP MG 0.413793 0.849315
96 U2G 0.410714 0.822785
97 UML 0.408759 0.810127
98 UP6 0.407407 0.871429
99 M7M 0.40625 0.771084
100 PMP UD1 0.404762 0.794872
101 1GW 0.40367 0.864865
102 BMP 0.402439 0.970149
103 APU 0.401786 0.828947
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XV5; Ligand: UDP; Similar sites found: 31
This union binding pocket(no: 1) in the query (biounit: 1xv5.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2WTX UDP 0.0001381 0.51065
2 2WTX VDO 0.0001475 0.51065
3 2WTX UDP 0.0003496 0.48997
4 3OKP GDD 0.0002525 0.47248
5 3ITJ CIT 0.0008569 0.46303
6 2IW1 U2F 0.0008855 0.46058
7 2IV3 UDP 0.0006536 0.45561
8 3CV3 UDP 0.0002979 0.45498
9 2IV3 UDP 0.0006796 0.45485
10 4PQG UDP 0.0001343 0.45263
11 4PQG UDP 0.000174 0.44886
12 3OKA GDD 0.0004261 0.43993
13 3OKA GDD 0.0004258 0.43993
14 1QM5 PLP 0.007493 0.43632
15 1EM6 NBG 0.01283 0.42302
16 2WTX VDO 0.009812 0.41836
17 1N62 MCN 0.01814 0.40992
18 3MB4 MB3 0.007523 0.40971
19 3IAA TYD 0.007176 0.4086
20 3IAA TYD 0.007176 0.4086
21 1RZU ADP 0.008571 0.40697
22 3IAA TYD 0.007105 0.40693
23 3RSC TYD 0.009185 0.40549
24 2XRH NIO 0.01584 0.40525
25 2VCH UDP 0.01486 0.40481
26 2XB7 GUI 0.02934 0.4026
27 1J39 UPG 0.01691 0.40217
28 3ETH ATP 0.01137 0.40126
29 2AX9 BHM 0.03132 0.4012
30 3RSC TYD 0.01163 0.40082
31 1WAP TRP 0.008025 0.40057
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