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+2]...
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: 143
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL GAL SO4 1 1
2 M3M 0.672727 0.702128
3 LB2 0.672727 0.702128
4 MAN GLC 0.672727 0.702128
5 GLC BGC BGC BGC BGC BGC BGC 0.616667 0.702128
6 GLC BGC BGC BGC 0.616667 0.702128
7 BGC BGC BGC BGC BGC 0.616667 0.702128
8 BGC BGC BGC ASO BGC BGC ASO 0.616667 0.702128
9 BGC BGC BGC GLC BGC BGC 0.616667 0.702128
10 BGC BGC BGC 0.616667 0.702128
11 GLC GLC GLC GLC 0.615385 0.702128
12 MAN BMA MAN MAN MAN 0.602941 0.702128
13 M5S 0.602941 0.702128
14 BGC BGC GLC 0.587302 0.702128
15 BMA MAN MAN 0.553846 0.702128
16 P3M 0.528571 0.764706
17 MAN MAN MAN MAN 0.521127 0.702128
18 MAN MAN BMA MAN 0.521127 0.702128
19 CGC 0.515152 0.666667
20 GLC BGC 0.508197 0.702128
21 BMA BMA 0.508197 0.702128
22 CBK 0.508197 0.702128
23 GAL GLC 0.508197 0.702128
24 GLA GLA 0.508197 0.702128
25 BGC BMA 0.508197 0.702128
26 BGC GAL 0.508197 0.702128
27 CBI 0.508197 0.702128
28 BGC GLC 0.508197 0.702128
29 B2G 0.508197 0.702128
30 GLA GAL 0.508197 0.702128
31 MAB 0.508197 0.702128
32 LAT 0.508197 0.702128
33 LBT 0.508197 0.702128
34 GLC GAL 0.508197 0.702128
35 MAL 0.508197 0.702128
36 N9S 0.508197 0.702128
37 BMA GAL 0.508197 0.702128
38 GAL BGC 0.508197 0.702128
39 MAL MAL 0.508197 0.6875
40 GLA GAL GAL 0.507463 0.702128
41 GLA GAL BGC 0.507463 0.702128
42 BGC GLC GLC 0.5 0.702128
43 BGC BGC BGC BGC 0.5 0.702128
44 GLC GLC GLC GLC GLC GLC GLC 0.5 0.702128
45 BMA MAN BMA 0.5 0.702128
46 BGC GLC GLC GLC GLC GLC GLC 0.5 0.702128
47 GLC GLC BGC 0.5 0.702128
48 DXI 0.5 0.702128
49 GLC GLC GLC GLC GLC 0.5 0.702128
50 GAL GAL GAL 0.5 0.702128
51 BMA BMA BMA 0.5 0.702128
52 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.702128
53 CEX 0.5 0.702128
54 MTT 0.5 0.702128
55 GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.702128
56 CE5 0.5 0.702128
57 MT7 0.5 0.702128
58 B4G 0.5 0.702128
59 GLC BGC BGC 0.5 0.702128
60 MLR 0.5 0.702128
61 CEY 0.5 0.702128
62 BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.702128
63 BMA BMA BMA BMA BMA 0.5 0.702128
64 BMA BMA BMA BMA BMA BMA 0.5 0.702128
65 BGC GLC GLC GLC GLC 0.5 0.702128
66 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.702128
67 CT3 0.5 0.702128
68 GLC GLC BGC GLC GLC GLC GLC 0.5 0.702128
69 GLC BGC BGC BGC BGC BGC 0.5 0.702128
70 CTR 0.5 0.702128
71 GLC BGC BGC BGC BGC 0.5 0.702128
72 BGC BGC BGC GLC 0.5 0.702128
73 GLC BGC GLC 0.5 0.702128
74 GLC GAL GAL 0.5 0.702128
75 BGC GLC GLC GLC 0.5 0.702128
76 GLA GAL GLC 0.5 0.702128
77 MAN BMA BMA 0.5 0.702128
78 G6S NAG 0.5 0.79661
79 MAN MAN BMA BMA BMA BMA 0.5 0.702128
80 MAN BMA BMA BMA BMA 0.5 0.702128
81 BGC BGC BGC BGC BGC BGC 0.5 0.702128
82 CE6 0.5 0.702128
83 CE8 0.5 0.702128
84 CTT 0.5 0.702128
85 MAN MAN MAN BMA MAN 0.474359 0.702128
86 BMA BMA BMA BMA BMA BMA MAN 0.470588 0.6875
87 MAN BMA BMA BMA BMA BMA 0.470588 0.6875
88 M13 0.46875 0.673469
89 MDM 0.46875 0.673469
90 GAL MBG 0.46875 0.673469
91 MAN MAN 0.467742 0.702128
92 BGC BGC 0.467742 0.702128
93 2M4 0.467742 0.702128
94 MAN MAN MAN MAN MAN MAN MAN MAN 0.465909 0.686275
95 GLC GLC GLC GLC GLC GLC 0.465753 0.702128
96 MAN MMA MAN 0.458333 0.673469
97 FUC BGC GAL 0.458333 0.6875
98 TRE 0.454545 0.702128
99 BMA BMA MAN 0.454545 0.6875
100 LAT GLA 0.444444 0.702128
101 BMA MAN 0.439394 0.653061
102 GLC GLC BGC XYS BGC XYS 0.439024 0.673469
103 GLC GLC GLC BGC 0.434211 0.702128
104 U63 0.432836 0.647059
105 GAL FUC 0.432836 0.666667
106 MAN MAN MAN GLC 0.432432 0.702128
107 BMA GLA 0.430769 0.702128
108 GLA BGC 0.430769 0.702128
109 MLB 0.430769 0.702128
110 MAN BMA 0.430769 0.702128
111 GAL GAL 0.430769 0.702128
112 LAK 0.430769 0.702128
113 BGC GLA 0.430769 0.702128
114 GLA BMA 0.430769 0.702128
115 GLA GLC 0.430769 0.702128
116 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.428571 0.673469
117 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.428571 0.673469
118 BMA BMA GLA BMA BMA 0.428571 0.702128
119 BGC BGC BGC XYS BGC BGC 0.428571 0.673469
120 GLA EGA 0.426471 0.673469
121 GAL BGC BGC XYS 0.425 0.673469
122 GAL GAL FUC 0.424658 0.6875
123 FUC GAL GLA 0.424658 0.6875
124 GLA GAL FUC 0.424658 0.6875
125 FUC GLA GLA 0.424658 0.6875
126 GLA GLA FUC 0.424658 0.6875
127 T6P 0.424242 0.764706
128 DR5 0.424242 0.673469
129 MMA MAN 0.424242 0.673469
130 GLA MBG 0.421875 0.673469
131 MAN MAN BMA 0.42029 0.702128
132 GLC GLC GLC GLC BGC 0.41791 0.702128
133 GLC GLC GLC 0.41791 0.702128
134 DOM 0.41791 0.673469
135 MAN MAN MAN 0.41791 0.702128
136 GLC GLC GLC GLC GLC BGC 0.41791 0.702128
137 WZ3 0.417722 0.693878
138 BGC BGC BGC XYS GAL 0.411765 0.673469
139 5QP 0.405797 0.632653
140 GLA MAN ABE 0.405063 0.66
141 MAN MAN MAN BMA MAN MAN MAN 0.404494 0.673469
142 MAL EDO 0.4 0.673469
143 G2F BGC BGC BGC BGC BGC 0.4 0.634615
Ligand no: 2; 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 : 3CU0; Ligand: UDP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CU0; Ligand: UDP; Similar sites found: 33
This union binding pocket(no: 2) in the query (biounit: 3cu0.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OMZ UD2 0.0001978 0.46896 2.13523
2 5TZJ UD1 0.00001623 0.44502 2.13523
3 4M4K GDU 0.005583 0.40808 2.13523
4 2BVL UDP 0.00242 0.42744 2.4911
5 2BVL GLC 0.00242 0.42744 2.4911
6 3ZF8 GDP 0.01171 0.40854 2.4911
7 1LL2 UPG 0.003352 0.40352 2.4911
8 1QGQ UDP 0.001313 0.40211 2.7451
9 3B6R CRN 0.01835 0.4136 2.84698
10 4MIX UD1 0.01091 0.40216 2.84698
11 2J0B UDP 0.001415 0.45064 2.85714
12 1I4D GDP 0.01818 0.40332 3.125
13 1P77 ATR 0.0243 0.40117 3.30882
14 2Y6P CTP 0.007974 0.40844 3.4188
15 5FV9 UDP 0.0001104 0.44316 3.55872
16 5FV9 Y6W 0.0002669 0.43657 3.55872
17 2FFU UDP 0.004842 0.41064 3.55872
18 2D7I UDP 0.001138 0.45223 3.91459
19 3IOI 1GW 0.01727 0.40033 3.91459
20 5MM0 GDD 0.0007462 0.411 4.27046
21 1TZD ADP 0.02094 0.40557 4.36364
22 4IRP UDP 0.001079 0.47447 4.38247
23 1Q8Q MAN MMA 0.01461 0.41084 4.7619
24 1Q8S MAN MMA 0.01511 0.41042 4.7619
25 2PHR MAN MAN 0.02254 0.40284 4.7619
26 2PHW MAN MAN 0.0242 0.40126 4.7619
27 2QGI UDP 0.003655 0.44403 5.24194
28 3K8D CTP 0.006117 0.41374 5.68182
29 1H7F C5P 0.00787 0.40136 6.12245
30 1M6P M6P 0.02183 0.40356 6.57895
31 2VL8 CTS 0.003834 0.4114 9.25267
32 2VL8 UDP 0.003911 0.40521 9.25267
33 2APC UDM 0.002399 0.42215 13.879
Pocket No.: 3; Query (leader) PDB : 3CU0; Ligand: GAL GAL SO4; Similar sites found: 21
This union binding pocket(no: 3) in the query (biounit: 3cu0.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5TZJ UD1 0.0002448 0.44937 2.13523
2 4M4K XYP XYP 0.0109 0.4034 2.13523
3 3ZF8 GDP 0.02178 0.41229 2.4911
4 1LL2 UPG 0.008549 0.40803 2.4911
5 4MIX UD1 0.003325 0.44072 2.84698
6 2J0B UDP 0.003044 0.45064 2.85714
7 2Y6P CTP 0.01695 0.41787 3.4188
8 5FV9 UDP 0.000897 0.44017 3.55872
9 5FV9 Y6W 0.00144 0.43495 3.55872
10 2FFU UDP 0.01295 0.40925 3.55872
11 2D7I UDP 0.00364 0.44733 3.91459
12 5MM0 GDD 0.005929 0.40618 4.27046
13 1TZD ADP 0.04049 0.40557 4.36364
14 4IRP UDP 0.001958 0.48032 4.38247
15 2GND MAN MMA 0.0491 0.40128 4.7619
16 2QGI UDP 0.01517 0.42884 5.24194
17 3K8D CTP 0.02672 0.40074 5.68182
18 2NGR AF3 0.04643 0.40261 5.75916
19 3V91 UPG 0.009457 0.40321 7.82918
20 2VL8 CTS 0.006235 0.42057 9.25267
21 2VL8 UDP 0.008295 0.41169 9.25267
Pocket No.: 4; Query (leader) PDB : 3CU0; Ligand: GAL GAL SO4; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 3cu0.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UQK U2F 0.006302 0.40664 3.55872
2 1Q8Q MAN MMA 0.04383 0.40093 4.7619
Feedback