Receptor
PDB id Resolution Class Description Source Keywords
5AJP 1.65 Å EC: 2.4.1.41 CRYSTAL STRUCTURE OF THE ACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH UDP AND THE GLYCOPEPTIDE MUC5AC-13 HOMO SAPIENS TRANSFERASE GALNAC-T2 AFM SAXS LECTIN DOMAIN COARSE-GRAMODEL GLYCOPEPTIDES INACTIVE FORM ACTIVE FORM COMPACT FEXTENDED FORM
Ref.: DYNAMIC INTERPLAY BETWEEN CATALYTIC AND LECTIN DOMA GALNAC-TRANSFERASES MODULATES PROTEIN O-GLYCOSYLATI NAT.COMMUN. V. 6 6937 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1583;
A:1582;
A:1584;
A:1580;
A:1589;
A:1574;
A:1576;
A:1590;
A:1585;
A:1591;
A:1586;
A:1581;
A:1573;
A:1587;
A:1588;
A:1577;
A:1571;
A:1592;
A:1575;
A:1578;
A:1579;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
MN A:1572;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDP A:1570;
Valid;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
A2G B:17;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AJP 1.65 Å EC: 2.4.1.41 CRYSTAL STRUCTURE OF THE ACTIVE FORM OF GALNAC-T2 IN COMPLEX WITH UDP AND THE GLYCOPEPTIDE MUC5AC-13 HOMO SAPIENS TRANSFERASE GALNAC-T2 AFM SAXS LECTIN DOMAIN COARSE-GRAMODEL GLYCOPEPTIDES INACTIVE FORM ACTIVE FORM COMPACT FEXTENDED FORM
Ref.: DYNAMIC INTERPLAY BETWEEN CATALYTIC AND LECTIN DOMA GALNAC-TRANSFERASES MODULATES PROTEIN O-GLYCOSYLATI NAT.COMMUN. V. 6 6937 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5AJP - 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 4 families.
1 5AJP - 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 4 families.
1 5AJP - 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 : 5AJP; Ligand: UDP; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 5ajp.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CNK FAD 0.01452 0.41663 1.27877
2 2WGH DTP 0.01106 0.40181 1.92644
3 5A07 GDP 0.00579 0.41929 2.30415
4 3NRR D16 0.01584 0.42188 2.52427
5 3NRR NAP 0.02008 0.4134 2.52427
6 3KJS DQ1 0.02931 0.40352 2.8021
7 2J0B UDP 0.005341 0.42813 2.85714
8 4OOE FOM 0.003407 0.42124 3.21782
9 3U2U UDP 0.02039 0.40318 3.80228
10 3OID NDP 0.01991 0.40479 3.87597
11 4KM2 ATR 0.02025 0.40859 4.46927
12 4KM2 TOP 0.02365 0.40627 4.46927
13 3RG9 NDP 0.01402 0.41429 4.58333
14 3RG9 WRA 0.01697 0.41332 4.58333
15 4IRP UDP 0.0007688 0.4081 4.78088
16 1A99 PUT 0.01854 0.40961 5.23256
17 4NZ6 DLY 0.01653 0.40113 5.7508
18 3H4V DVP 0.01756 0.41628 5.90278
19 3H4V NAP 0.02942 0.40432 5.90278
20 2W9S TOP 0.00966 0.41949 6.21118
21 2VZ0 NAP 0.04977 0.41237 6.34328
22 2VZ0 D64 0.04977 0.41237 6.34328
23 1S4P GDP 0.00868 0.40671 6.6092
24 4M4K XYP XYP 0.00879 0.40637 6.62021
25 4M4K GDU 0.00879 0.40637 6.62021
26 1OMZ UD2 0.001467 0.43976 7.16724
27 2QGI UDP 0.001196 0.40691 7.25806
28 5G41 AP5 0.0332 0.4034 9.41704
29 5XNA SHV 0.01265 0.41007 10.1449
30 4OR7 25U 0.01251 0.4033 10.9091
31 1V84 UDP 0.00846 0.41588 11.8577
32 5MM0 GDD 0.000238 0.41866 13.1016
33 5TZJ UD1 0.00003076 0.42466 13.587
34 1QGQ UDP 0.001595 0.45134 14.902
35 3OKA GDD 0.0127 0.40298 35.2941
Feedback