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Receptor
PDB id Resolution Class Description Source Keywords
2FFU 1.64 Å EC: 2.4.1.41 CRYSTAL STRUCTURE OF HUMAN PPGALNACT-2 COMPLEXED WITH UDP AN HOMO SAPIENS PPGALNACT; MUCIN; GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: DYNAMIC ASSOCIATION BETWEEN THE CATALYTIC AND LECTI OF HUMAN UDP-GALNAC:POLYPEPTIDE {ALPHA}-N-ACETYLGALACTOSAMINYLTRANSFERASE-2 J.BIOL.CHEM. V. 281 8613 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:600;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDP A:601;
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
2FFU 1.64 Å EC: 2.4.1.41 CRYSTAL STRUCTURE OF HUMAN PPGALNACT-2 COMPLEXED WITH UDP AN HOMO SAPIENS PPGALNACT; MUCIN; GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: DYNAMIC ASSOCIATION BETWEEN THE CATALYTIC AND LECTI OF HUMAN UDP-GALNAC:POLYPEPTIDE {ALPHA}-N-ACETYLGALACTOSAMINYLTRANSFERASE-2 J.BIOL.CHEM. V. 281 8613 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2FFU - 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 5 families.
1 2FFU - 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 5 families.
1 2FFU - 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 : 2FFU; Ligand: UDP; Similar sites found with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 2ffu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4CNK FAD 1.27877
2 3TTM PUT 1.7341
3 6EJ7 UDX 1.79641
4 1WVG APR 1.94986
5 3QDC RET 2.09205
6 5A07 GDP 2.30415
7 5VCM UDP 2.38663
8 2WGH DTP 2.39521
9 1UWK NAD 2.39521
10 1UWK URO 2.39521
11 1KQP ADJ 2.58303
12 6FXR UDP 2.59481
13 3NRR D16 2.59481
14 3NRR NAP 2.59481
15 1XX6 ADP 2.6178
16 1U72 MTX 2.68817
17 1U72 NDP 2.68817
18 4RF7 ARG 2.99401
19 3AB4 THR 3.08789
20 2BL9 NDP 3.19361
21 2BL9 CP6 3.19361
22 3KJS DQ1 3.19361
23 4OOE FOM 3.21782
24 4OOE NDP 3.21782
25 3RG9 WRA 3.33333
26 3RG9 NDP 3.33333
27 5WHU SIA 3.3557
28 1USF NAP 3.37079
29 1MXG ACR 3.44828
30 4XT8 TMQ 3.48837
31 4XT8 NAP 3.48837
32 3CU0 UDP 3.55872
33 3CU0 GAL GAL SO4 3.55872
34 5AHO TLA 3.57143
35 4K7O EKZ 3.57143
36 1OIJ AKG 3.65448
37 1A99 PUT 3.77907
38 4GAH 0ET 3.82775
39 3CKJ CIT 4.25532
40 5Z2L NDP 4.4898
41 4IRP UDP 4.78088
42 3LA3 2FT 4.93827
43 2CIG 1DG 5.03145
44 3A76 SPD 5.11364
45 2J0B UDP 5.35714
46 4LAE NAP 5.38922
47 4LAE 1VM 5.38922
48 3OKA GDD 5.51181
49 4DEC 3PG 5.52326
50 4DEC UDP 5.52326
51 4DP3 NDP 5.78842
52 4DP3 MMV 5.78842
53 3H4V NAP 5.90278
54 2BO4 FLC 6.04534
55 2W9S TOP 6.21118
56 1S4P GDP 6.6092
57 1OMZ UD2 7.16724
58 4JD0 1KH 7.17131
59 2QGI UDP 7.25806
60 2APC UDM 7.60234
61 6C8X BVR 8.08081
62 1AOE GW3 8.33333
63 1AOE NDP 8.33333
64 1J3I WRA 8.84146
65 4OR7 25U 10.9091
66 4M7V RAR 12.5714
67 5ZHW DAL DAL 12.7193
68 2UVO NAG 12.8655
69 2UVO NDG 12.8655
70 6A6A DAL 12.8889
71 5MM0 GDD 13.1016
72 5TZJ UD1 13.587
73 1QGQ UDP 14.902
74 6H21 UD1 18.8406
75 1V84 UDP 30.7692
76 1YRO GDU 38.4615
77 2AGD UDH 38.4615
78 2AGD NAG MAN BMA 38.4615
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