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Receptor
PDB id Resolution Class Description Source Keywords
2APC 1.5 Å EC: 2.4.1.101 CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I IN CO UDP-GLCNAC PHOSPHONATE ORYCTOLAGUS CUNICULUS TRANSFERASE N-ACETYLGLUCOSAMINYLTRANSFERASE GLYCOSYLTRANSFUDP-GLCNAC UDP-GLCNAC PHOSPHONATE
Ref.: X-RAY CRYSTAL STRUCTURES OF RABBIT N-ACETYLGLUCOSAMINYLTRANSFERASE I (GNT I) IN COMPLE DONOR SUBSTRATE ANALOGUES. J.MOL.BIOL. V. 360 67 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:450;
A:451;
A:452;
A:453;
A:454;
A:455;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:448;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDM A:449;
Valid;
none;
Ki = 28 uM
605.381 C18 H29 N3 O16 P2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2APC 1.5 Å EC: 2.4.1.101 CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I IN CO UDP-GLCNAC PHOSPHONATE ORYCTOLAGUS CUNICULUS TRANSFERASE N-ACETYLGLUCOSAMINYLTRANSFERASE GLYCOSYLTRANSFUDP-GLCNAC UDP-GLCNAC PHOSPHONATE
Ref.: X-RAY CRYSTAL STRUCTURES OF RABBIT N-ACETYLGLUCOSAMINYLTRANSFERASE I (GNT I) IN COMPLE DONOR SUBSTRATE ANALOGUES. J.MOL.BIOL. V. 360 67 2006
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2APC Ki = 28 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2AM4 Ki = 190 uM U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
3 2AM3 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1FOA - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
5 2AM5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2APC Ki = 28 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2AM4 Ki = 190 uM U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
3 2AM3 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1FOA - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
5 2AM5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2APC Ki = 28 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2AM4 Ki = 190 uM U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
3 2AM3 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1FOA - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
5 2AM5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 UDM 1 1
2 URM 0.755556 0.985507
3 660 0.755556 0.985507
4 UD2 0.683168 0.957143
5 UD1 0.683168 0.957143
6 UDP 0.636364 0.914286
7 HP7 0.622642 0.942857
8 UPU 0.617021 0.942029
9 UTP 0.615385 0.914286
10 12V 0.611111 0.930556
11 HWU 0.611111 0.930556
12 MJZ 0.601852 0.916667
13 GDU 0.59596 0.942857
14 UFM 0.59596 0.942857
15 GUD 0.59596 0.942857
16 UPG 0.59596 0.942857
17 UNP 0.595745 0.888889
18 EPZ 0.59292 0.943662
19 UD7 0.592593 0.929577
20 EEB 0.587719 0.930556
21 EPU 0.587719 0.930556
22 F5G 0.581818 0.929577
23 F5P 0.581818 0.916667
24 UD4 0.581818 0.916667
25 UDZ 0.575221 0.857143
26 U5P 0.568182 0.9
27 U 0.568182 0.9
28 UGA 0.567308 0.928571
29 UGB 0.567308 0.928571
30 U2F 0.563107 0.891892
31 UPF 0.563107 0.891892
32 Y6W 0.558824 0.944444
33 UPP 0.554455 0.915493
34 44P 0.549451 0.902778
35 UMA 0.54918 0.943662
36 UFG 0.548077 0.891892
37 2KH 0.541667 0.888889
38 UDH 0.539216 0.893333
39 USQ 0.537736 0.825
40 UAD 0.533333 0.942857
41 UDX 0.533333 0.942857
42 3UC 0.527778 0.891892
43 U21 0.523438 0.884615
44 U20 0.523438 0.884615
45 U22 0.523438 0.8625
46 G3N 0.518519 0.916667
47 UDP UDP 0.515789 0.885714
48 4TC 0.5 0.835443
49 UAG 0.49635 0.918919
50 URI 0.488372 0.84058
51 UP5 0.483333 0.833333
52 CSV 0.473684 0.855263
53 CSQ 0.473684 0.855263
54 U3P 0.473118 0.885714
55 UA3 0.473118 0.885714
56 CJB 0.47191 0.826087
57 UD0 0.471429 0.825
58 U U 0.46789 0.901408
59 4RA 0.467626 0.835443
60 IUG 0.466667 0.792683
61 UML 0.456376 0.884615
62 2QR 0.437956 0.85
63 PUP 0.4375 0.915493
64 U1S 0.429907 0.779221
65 A U 0.425197 0.810127
66 PMP UD1 0.422535 0.814815
67 7XL 0.416667 0.891892
68 U2P 0.412371 0.9
69 C5G 0.408696 0.891892
70 G U 0.407692 0.771084
71 UAG API 0.407643 0.883117
72 U4S 0.40404 0.736842
73 CDP 0.403846 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2APC; Ligand: UDM; Similar sites found with APoc: 112
This union binding pocket(no: 1) in the query (biounit: 2apc.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 4WG0 CHD None
3 1DY4 SNP 1.16959
4 5IFK HPA 1.28205
5 4RYV ZEA 1.29032
6 4I90 CHT 1.65016
7 5MM0 GDD 1.75439
8 2P4S DIH 1.75439
9 2VHL GLP 1.75439
10 4XPQ FUL 2.04678
11 5FPE 3TR 2.04678
12 4BHL ARG 2.04678
13 3X01 AMP 2.04678
14 6ESN BWE 2.24719
15 5NTW 98N 2.33463
16 2Z9I GLY ALA THR VAL 2.33918
17 3ZF8 GDP 2.62295
18 2D7I UDP 2.63158
19 2GWH PCI 2.68456
20 1LVW TYD 2.71186
21 2BO4 FLC 2.77078
22 5BSH PRO 2.88809
23 5CKS GAL 2.92398
24 4MOB ADP 3.01205
25 4A91 GLU 3.02013
26 2J0B UDP 3.21429
27 1OJK GLC BGC 3.21637
28 3W68 PBU 3.38346
29 1M2Z BOG 3.50195
30 5N53 8NB 3.58974
31 5L2R MLA 3.80117
32 5OSW DIU 3.80117
33 2RG0 CTT 3.80117
34 6C0B PAM 3.84615
35 6ACS CIT 3.87597
36 5WSY 7UC 4.04624
37 3B9Z CO2 4.09357
38 6CB2 OLC 4.09357
39 3O01 DXC 4.22078
40 6BR8 6OU 4.36508
41 5TZJ UD1 4.38596
42 1HV9 UD1 4.38596
43 3OID TCL 4.65116
44 6H21 UD1 4.67836
45 1QGQ UDP 4.70588
46 3K8D CTP 4.92424
47 1W55 C 4.97076
48 2DM6 IMN 4.97076
49 2WOR 2AN 5
50 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
51 5LX9 OLB 5.28169
52 4EHQ GBL 5.40541
53 1GEG GLC 5.46875
54 6H0B UDP 5.55556
55 2BCG GER 5.55556
56 3KMZ EQO 5.6391
57 5EXA 5SO 5.65217
58 3ROE THM 5.66038
59 4OIV XX9 5.75221
60 3CKJ CIT 5.77508
61 1JGS SAL 5.7971
62 4DEC 3PG 5.84795
63 4DEC UDP 5.84795
64 1EI6 PPF 5.84795
65 3KP6 SAL 5.96026
66 1H5R THM 6.14334
67 5URY PAM 6.16438
68 1USF NAP 6.17978
69 3P9T TCL 6.39269
70 6EYT UDP 6.42202
71 6I6X H6B 6.43275
72 6I6R H62 6.43275
73 5Y02 HBX 6.54206
74 3CBC DBS 6.56566
75 1OMZ UD2 6.72515
76 1YP4 ADP 6.72515
77 1C3X 8IG 6.72515
78 1GJW GLC 7.01754
79 1LNX URI 7.40741
80 4RL4 PPV 7.54717
81 5NDF LU2 7.60234
82 5NDF UDP 7.60234
83 2FFU UDP 7.60234
84 5AJP UDP 7.60234
85 2Y6P CTP 7.69231
86 2HIM ASP 7.89474
87 2HK9 SKM 7.89474
88 2HIM ASN 7.89474
89 4G86 BNT 8.4507
90 1LPD ADE 8.47953
91 2W9S TOP 8.69565
92 2JK0 ASP 8.92308
93 3O5N BR0 8.92857
94 1QH8 HCA 9.41423
95 5VCM UDP 10.2339
96 1RJW ETF 12.0944
97 4RJD TFP 12.1212
98 2QGI UDP 12.9032
99 3U7Q HCA 13.7427
100 3CU0 UDP 13.879
101 3CU0 GAL GAL SO4 13.879
102 5O6Y 5YA 16.8224
103 4M1U A2G MBG 17.1429
104 2Y69 CHD 17.5
105 1V84 UDP 19.3676
106 6FA4 D1W 21.3873
107 5NNT DPV 21.6216
108 5LXT GTP 21.6783
109 1YRO GDU 21.9512
110 6D5L FW7 22.7545
111 5ZCO CHD 25
112 5Z84 CHD 25
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