Receptor
PDB id Resolution Class Description Source Keywords
3CU0 1.9 Å EC: 2.4.1.135 HUMAN BETA 1,3-GLUCURONYLTRANSFERASE I (GLCAT-I) IN COMPLEX WITH UDP AND GAL-GAL(6-SO4)-XYL(2-PO4)-O-SER HOMO SAPIENS GLCAT-I GLYCOSYLTRANSFERASE HEPARAN SULFATE BIOSYNTHESIS GLYCOPROTEIN GOLGI APPARATUS MANGANESE MEMBRANE METAL- BINDING SIGNAL-ANCHOR TRANSMEMBRANE
Ref.: 2-O-PHOSPHORYLATION OF XYLOSE AND 6-O-SULFATION OF GALACTOSE IN THE PROTEIN LINKAGE REGION OF GLYCOSAMINOGLYCANS INFLUENCE THE GLUCURONYLTRANSFERASE-I ACTIVITY INVOLVED IN THE LINKAGE REGION SYNTHESIS. J.BIOL.CHEM. V. 283 16801 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL GAL SO4 A:1;
B:1;
Valid;
Valid;
none;
none;
submit data
421.352 n/a S(=O)...
MN A:502;
B:504;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
UDP A:501;
A:503;
Valid;
Valid;
none;
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
3CU0 1.9 Å EC: 2.4.1.135 HUMAN BETA 1,3-GLUCURONYLTRANSFERASE I (GLCAT-I) IN COMPLEX WITH UDP AND GAL-GAL(6-SO4)-XYL(2-PO4)-O-SER HOMO SAPIENS GLCAT-I GLYCOSYLTRANSFERASE HEPARAN SULFATE BIOSYNTHESIS GLYCOPROTEIN GOLGI APPARATUS MANGANESE MEMBRANE METAL- BINDING SIGNAL-ANCHOR TRANSMEMBRANE
Ref.: 2-O-PHOSPHORYLATION OF XYLOSE AND 6-O-SULFATION OF GALACTOSE IN THE PROTEIN LINKAGE REGION OF GLYCOSAMINOGLYCANS INFLUENCE THE GLUCURONYLTRANSFERASE-I ACTIVITY INVOLVED IN THE LINKAGE REGION SYNTHESIS. J.BIOL.CHEM. V. 283 16801 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KWS - UGA C15 H22 N2 O18 P2 C1=CN(C(=O....
2 3CU0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KWS - UGA C15 H22 N2 O18 P2 C1=CN(C(=O....
2 3CU0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V83 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1V84 - GAL NDG n/a n/a
3 1KWS - UGA C15 H22 N2 O18 P2 C1=CN(C(=O....
4 3CU0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL GAL SO4; Similar ligands found: 139
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL GAL SO4 1 1
2 M3M 0.660714 0.66
3 NGR 0.660714 0.66
4 LB2 0.660714 0.66
5 MAN GLC 0.660714 0.66
6 MAN BMA MAN 0.650794 0.66
7 BGC BGC BGC GLC BGC BGC 0.606557 0.66
8 GLC BGC BGC BGC BGC BGC BGC 0.606557 0.66
9 M5S 0.594203 0.66
10 MAN BMA MAN MAN MAN 0.594203 0.66
11 BMA MAN MAN MAN MAN 0.547945 0.66
12 P3M 0.542857 0.722222
13 BMA MAN MAN MAN 0.537313 0.66
14 G6S NAG 0.533333 0.806452
15 CGC 0.530303 0.627451
16 MAN MAN BMA MAN 0.513889 0.66
17 MAN MAN MAN MAN 0.513889 0.66
18 MAN MAN MAN MAN MAN MAN MAN 0.5125 0.66
19 BQZ 0.5 0.6
20 GLA GAL GAL 0.478261 0.66
21 GAL BGC 0.47619 0.66
22 GLA GLA 0.47619 0.66
23 LAT 0.47619 0.66
24 CBI 0.47619 0.66
25 BGC BMA 0.47619 0.66
26 CBK 0.47619 0.66
27 LBT 0.47619 0.66
28 BMA GAL 0.47619 0.66
29 GLC GAL 0.47619 0.66
30 B2G 0.47619 0.66
31 GLA GAL 0.47619 0.66
32 BGC GAL 0.47619 0.66
33 MAB 0.47619 0.66
34 N9S 0.47619 0.66
35 MAL 0.47619 0.66
36 BGC BGC BGC BGC BGC BGC BGC BGC 0.472222 0.66
37 BGC GLC GLC GLC 0.469697 0.66
38 GLA GAL GLC 0.469697 0.66
39 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.469697 0.66
40 CT3 0.469697 0.66
41 GLA GAL BGC 0.469697 0.66
42 CE6 0.469697 0.66
43 BMA MAN BMA 0.469697 0.66
44 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.469697 0.66
45 MAN BMA BMA BMA BMA BMA 0.469697 0.66
46 MAN BMA BMA BMA BMA 0.469697 0.66
47 MT7 0.469697 0.66
48 BMA BMA BMA BMA BMA 0.469697 0.66
49 DXI 0.469697 0.66
50 MAN BMA BMA 0.469697 0.66
51 GLC BGC GLC 0.469697 0.66
52 MLR 0.469697 0.66
53 GLC BGC BGC BGC BGC 0.469697 0.66
54 BGC BGC BGC BGC 0.469697 0.66
55 MAN MAN BMA BMA BMA BMA 0.469697 0.66
56 BGC GLC GLC 0.469697 0.66
57 GAL GAL GAL 0.469697 0.66
58 BGC GLC GLC GLC GLC 0.469697 0.66
59 CE8 0.469697 0.66
60 BGC BGC BGC BGC BGC 0.469697 0.66
61 BGC BGC BGC BGC BGC BGC 0.469697 0.66
62 GLC BGC BGC BGC BGC BGC 0.469697 0.66
63 GLC GAL GAL 0.469697 0.66
64 GLC GLC GLC GLC GLC 0.469697 0.66
65 BGC BGC GLC 0.469697 0.66
66 BGC BGC BGC 0.469697 0.66
67 MTT 0.469697 0.66
68 CEX 0.469697 0.66
69 BGC BGC BGC GLC 0.469697 0.66
70 GLC BGC BGC BGC 0.469697 0.66
71 BGC GLC GLC GLC GLC GLC GLC 0.469697 0.66
72 BMA BMA BMA BMA BMA BMA 0.469697 0.66
73 CTR 0.469697 0.66
74 CTT 0.469697 0.66
75 CE5 0.469697 0.66
76 GLC BGC BGC 0.469697 0.66
77 B4G 0.469697 0.66
78 CEY 0.469697 0.66
79 GLC GLC BGC 0.469697 0.66
80 BMA BMA BMA 0.469697 0.66
81 MAN MAN MAN BMA MAN 0.468354 0.66
82 MDM 0.461538 0.634615
83 GAL MBG 0.461538 0.634615
84 M13 0.461538 0.634615
85 MAN MAN MAN MAN MAN MAN MAN MAN 0.460674 0.648148
86 2M4 0.460317 0.66
87 FUC BGC GAL 0.452055 0.647059
88 MAN MMA MAN 0.452055 0.634615
89 GAL FUC 0.447761 0.627451
90 TRE 0.446429 0.66
91 T6P 0.439394 0.722222
92 LAT GLA 0.4375 0.66
93 BMA MAN MAN 0.432836 0.66
94 BGC BGC 0.432836 0.615385
95 BMA BMA 0.432836 0.615385
96 MAN MAN MAN 0.432836 0.66
97 GLC GLC GLC GLC BGC 0.432836 0.66
98 GLC GLC GLC 0.432836 0.66
99 GLC GLC GLC GLC GLC BGC 0.432836 0.66
100 GLC GLC GLC BGC 0.428571 0.66
101 MAN MAN MAN GLC 0.426667 0.66
102 U63 0.426471 0.611111
103 XYT 0.424658 0.722222
104 BGC GLC 0.424242 0.66
105 BGC GLA 0.424242 0.66
106 GLA BMA 0.424242 0.66
107 BMA MAN 0.424242 0.66
108 GLC GLC 0.424242 0.66
109 MAN MAN 0.424242 0.66
110 GAL GLC 0.424242 0.66
111 GAL GAL 0.424242 0.66
112 LAK 0.424242 0.66
113 GLA GLC 0.424242 0.66
114 MLB 0.424242 0.66
115 GLA BGC 0.424242 0.66
116 BMA GLA 0.424242 0.66
117 MAN BMA 0.424242 0.66
118 GLC BGC 0.424242 0.66
119 BGC BGC BGC XYS BGC BGC 0.423529 0.634615
120 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.423529 0.634615
121 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.423529 0.634615
122 GLA EGA 0.42029 0.634615
123 FUC GLA GLA 0.418919 0.647059
124 GLA GLA FUC 0.418919 0.647059
125 GLA GAL FUC 0.418919 0.647059
126 FUC GAL GLA 0.418919 0.647059
127 GAL GAL FUC 0.418919 0.647059
128 DR5 0.41791 0.634615
129 MMA MAN 0.41791 0.634615
130 GLA MBG 0.415385 0.634615
131 BMA BMA MAN 0.414286 0.66
132 MAN MAN BMA 0.414286 0.66
133 WZ3 0.4125 0.653846
134 DOM 0.411765 0.634615
135 BGC BGC XYS BGC 0.409639 0.634615
136 SGA BGC 0.405405 1
137 BMA BMA GLA BMA BMA 0.405063 0.66
138 GAL BGC BGC XYS 0.402439 0.634615
139 MAN MAN MAN BMA MAN MAN MAN 0.4 0.634615
Ligand no: 2; 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 : 3CU0; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3cu0.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CU0; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3cu0.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CU0; Ligand: GAL GAL SO4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3cu0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CU0; Ligand: GAL GAL SO4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3cu0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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