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Receptor
PDB id Resolution Class Description Source Keywords
1QGQ 1.5 Å EC: 2.-.-.- UDP-MANGANESE COMPLEX OF SPSA FROM BACILLUS SUBTILIS BACILLUS SUBTILIS GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF THE NUCLEOTIDE-DIPHOSPHO-SUGAR TRANSFE SPSA FROM BACILLUS SUBTILIS, IN NATIVE AND NUCLEOTIDE-COMPLEXED FORMS. BIOCHEMISTRY V. 38 6380 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:310;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:301;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
MN A:300;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDP A:311;
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
1QGQ 1.5 Å EC: 2.-.-.- UDP-MANGANESE COMPLEX OF SPSA FROM BACILLUS SUBTILIS BACILLUS SUBTILIS GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF THE NUCLEOTIDE-DIPHOSPHO-SUGAR TRANSFE SPSA FROM BACILLUS SUBTILIS, IN NATIVE AND NUCLEOTIDE-COMPLEXED FORMS. BIOCHEMISTRY V. 38 6380 1999
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1QGQ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1H7Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
3 1QGS - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 1H7L - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 1QGQ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1H7Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
3 1QGS - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 1H7L - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1QGQ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1H7Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
3 1QGS - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 1H7L - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
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 : 1QGQ; Ligand: UDP; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 1qgq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1M26 GAL A2G None
2 1UGX GAL MGC None
3 5O1I 9GH 1.36986
4 3CKJ CIT 1.56863
5 1MJH ATP 1.85185
6 3ZF8 GDP 2.35294
7 2BZ1 TAU 2.55102
8 3CU0 GAL GAL SO4 2.7451
9 3CU0 UDP 2.7451
10 1QPR PPC 2.7451
11 1V84 UDP 2.7668
12 5XK9 DMA 3.01724
13 3E7S AT2 3.13725
14 1TLG GAL 3.2
15 1DDU DDU 3.52941
16 2Q3O FMN 3.52941
17 2P1M IHP 3.75
18 1EFV AMP 3.92157
19 3EYA FAD 3.92157
20 4EUE NAI 3.92157
21 1WVC CTP 3.92157
22 5IVE 6E8 3.92157
23 2JBM SRT 3.92157
24 5J1S ATP 4.1841
25 4WOE ADP 4.31373
26 2QGI UDP 4.43548
27 1OC2 NAD 4.70588
28 1OC2 TDX 4.70588
29 2APC UDM 4.70588
30 1U8V FAD 4.70588
31 5VCM UDP 5.4902
32 1FRW GTP 5.6701
33 3EM0 CHD 5.7971
34 2BO4 FLC 5.88235
35 4UIB GWX 5.88235
36 3ND6 ATP 6.43275
37 1OMZ UD2 6.66667
38 2Y6Q FAD 6.66667
39 2Y6Q I7T 6.66667
40 1I52 CTP 6.77966
41 3QDY CBS 6.99301
42 3QDV NDG 6.99301
43 3QDU CBS CBS 6.99301
44 1LSH PLD 7.05882
45 2YQS UD1 7.45098
46 5Z2L NDP 7.7551
47 3OH3 UAD 7.84314
48 5LYR MAN MNM 7.84314
49 2NUN ADP 8.97833
50 3OTX AP5 9.80392
51 2HSA FMN 14.1176
52 5NDF LU2 14.902
53 5NDF UDP 14.902
54 5AJP UDP 14.902
55 2FFU UDP 14.902
56 2J0B UDP 16.4706
57 6H0B UDP 19.2157
58 1JV1 UD1 21.9608
59 5MM0 GDD 22.3529
60 2D7I UDP 22.7451
61 5TZJ UD1 23.5294
62 4DEC 3PG 25.4902
63 4DEC UDP 25.4902
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