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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 5 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 5 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 5 families.
1 5AJP - 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 : 5AJP; Ligand: UDP; Similar sites found with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 5ajp.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4CNK FAD 1.27877
2 6EJ7 UDX 1.57618
3 2P69 PLP 1.63399
4 3TTM PUT 1.7341
5 2WGH DTP 1.92644
6 6FXR UDP 2.27671
7 5A07 GDP 2.30415
8 5VCM UDP 2.38663
9 3NRR D16 2.52427
10 3NRR NAP 2.52427
11 3ZF8 GDP 2.62295
12 3KJS DQ1 2.8021
13 2J0B UDP 2.85714
14 4K7O EKZ 2.97619
15 2Y0I AKG 3.125
16 4OOE NDP 3.21782
17 4OOE FOM 3.21782
18 1USF NAP 3.37079
19 1H5Q NAP 3.39623
20 4XT8 TMQ 3.48837
21 1EDO NAP 3.68852
22 3U2U UDP 3.80228
23 3OID NDP 3.87597
24 3CKJ CIT 4.25532
25 4KM2 ATR 4.46927
26 4KM2 TOP 4.46927
27 5Z2L NDP 4.4898
28 3RG9 NDP 4.58333
29 3RG9 WRA 4.58333
30 1I8T FAD 4.63215
31 4IRP UDP 4.78088
32 2BOY BHO 5.11811
33 1A99 PUT 5.23256
34 1VL8 NAP 5.24345
35 4LAE NAP 5.38922
36 4LAE 1VM 5.38922
37 4M7V RAR 5.71429
38 4NZ6 DLY 5.7508
39 3H4V DVP 5.90278
40 3H4V NAP 5.90278
41 3BMQ NAP 5.90278
42 3BMN NAP 5.90278
43 2BO4 FLC 6.04534
44 2W9S TOP 6.21118
45 2VZ0 D64 6.34328
46 2VZ0 NAP 6.34328
47 1S4P GDP 6.6092
48 4M4K XYP XYP 6.62021
49 4M4K GDU 6.62021
50 2AGD NAG MAN BMA 6.96864
51 2AGD UDH 6.96864
52 1YRO GDU 6.99301
53 1MXG ACR 7.12644
54 1OMZ UD2 7.16724
55 2QGI UDP 7.25806
56 3AB4 THR 7.30337
57 2APC UDM 7.60234
58 1AOE NDP 8.33333
59 1AOE GW3 8.33333
60 4DEC 3PG 8.43023
61 4DEC UDP 8.43023
62 5G41 AP5 9.41704
63 5XNA SHV 10.1449
64 4OR7 25U 10.9091
65 1V84 UDP 11.8577
66 5MM0 GDD 13.1016
67 5ZHW DAL DAL 13.1579
68 6A6A DAL 13.3333
69 5TZJ UD1 13.587
70 4MO2 FAD 14.1304
71 1QGQ UDP 14.902
72 2CIG 1DG 15.0943
73 6H21 UD1 18.8406
74 4DP3 NDP 23.5294
75 4DP3 MMV 23.5294
76 1J3I WRA 23.5294
77 1J3I NDP 23.5294
78 3OKA GDD 35.2941
79 2XUM OGA 50
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