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Receptor
PDB id Resolution Class Description Source Keywords
3V91 2 Å EC: 2.4.1.186 STRUCTURE OF T82M GLYCOGENIN MUTANT TRUNCATED AT RESIDUE 270 WITH UDP-GLUCOSE ORYCTOLAGUS CUNICULUS TRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHT INTO GLYCOGENIN INACTIVATION BY THE GLYCOGENOSIS-CAUSING T82M MUTAT FEBS LETT. V. 586 254 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:302;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:303;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UPG A:304;
Valid;
none;
submit data
566.302 C15 H24 N2 O17 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V91 2 Å EC: 2.4.1.186 STRUCTURE OF T82M GLYCOGENIN MUTANT TRUNCATED AT RESIDUE 270 WITH UDP-GLUCOSE ORYCTOLAGUS CUNICULUS TRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHT INTO GLYCOGENIN INACTIVATION BY THE GLYCOGENOSIS-CAUSING T82M MUTAT FEBS LETT. V. 586 254 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3V91 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
2 3V8Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3V91 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
2 3V8Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 3U2V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 3QVB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 3T7M - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 6EQL - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 3U2W - LCN C6 H10 O5 C1=C([C@H]....
8 3T7O - GLC C6 H12 O6 C([C@@H]1[....
9 3T7N - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 3U2U - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 3RMW - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
12 3RMV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1ZDF - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
14 1ZDG - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
15 1LL2 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3V91 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
2 3V8Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 3U2V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 3QVB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 3T7M - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 6EQL - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 3U2W - LCN C6 H10 O5 C1=C([C@H]....
8 3T7O - GLC C6 H12 O6 C([C@@H]1[....
9 3T7N - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 3U2U - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 3RMW - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
12 3RMV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1ZDF - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
14 1ZDG - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
15 1LL2 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UPG; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 GUD 1 1
2 GDU 1 1
3 UPG 1 1
4 UFM 1 1
5 USQ 0.8 0.846154
6 U2F 0.797619 0.943662
7 UPF 0.797619 0.943662
8 UFG 0.797619 0.943662
9 UD2 0.73913 0.985294
10 UD1 0.73913 0.985294
11 UGB 0.738636 0.985075
12 UGA 0.738636 0.985075
13 UDP 0.717949 0.941176
14 UDX 0.715909 0.970588
15 UAD 0.715909 0.970588
16 UTP 0.7125 0.941176
17 IUG 0.693878 0.835443
18 G3N 0.692308 0.942857
19 C5G 0.688889 0.943662
20 660 0.681818 0.956522
21 URM 0.681818 0.956522
22 UPU 0.670588 0.970149
23 EPZ 0.650485 0.971014
24 3UC 0.648936 0.943662
25 UNP 0.647059 0.914286
26 EPU 0.644231 0.957143
27 EEB 0.644231 0.957143
28 U5P 0.641026 0.926471
29 U 0.641026 0.926471
30 UD7 0.636364 0.956522
31 HP7 0.636364 0.970588
32 2GW 0.632653 0.957143
33 MJZ 0.63 0.942857
34 F5G 0.623762 0.956522
35 UD4 0.623762 0.942857
36 F5P 0.623762 0.942857
37 UPP 0.615385 0.942029
38 UDH 0.615385 0.866667
39 UDZ 0.615385 0.88
40 UMA 0.598214 0.971014
41 44P 0.597561 0.901408
42 UDM 0.59596 0.942857
43 HWU 0.592233 0.929577
44 12V 0.592233 0.929577
45 1GW 0.590476 0.917808
46 2KH 0.586207 0.914286
47 Y6W 0.585106 0.916667
48 UDP UDP 0.576471 0.911765
49 U22 0.567797 0.8375
50 U20 0.567797 0.858974
51 U21 0.567797 0.858974
52 URI 0.552632 0.865672
53 CJB 0.551282 0.850746
54 UP5 0.527273 0.855263
55 UAG 0.523438 0.917808
56 2QR 0.520325 0.848101
57 DAU 0.519608 0.891892
58 UA3 0.511905 0.911765
59 U3P 0.511905 0.911765
60 CSV 0.504762 0.878378
61 CSQ 0.504762 0.878378
62 4TC 0.504425 0.833333
63 U U 0.5 0.927536
64 4RA 0.492308 0.857143
65 UD0 0.484848 0.846154
66 PUP 0.480392 0.887324
67 UML 0.478571 0.858974
68 U2P 0.476744 0.926471
69 CXY 0.471154 0.916667
70 GDD 0.463636 0.8
71 GKE 0.463636 0.8
72 GDC 0.463636 0.8
73 A U 0.461538 0.831169
74 HF4 0.447917 0.888889
75 CTP 0.447917 0.888889
76 CDP 0.446809 0.888889
77 ADQ 0.443396 0.828947
78 DKX 0.44186 0.774648
79 G U 0.441667 0.790123
80 U2S 0.43956 0.77027
81 UMF 0.438202 0.833333
82 U4S 0.433333 0.733333
83 DUT 0.43299 0.861111
84 U3S 0.423913 0.756757
85 5GW 0.421569 0.915493
86 DUD 0.421053 0.861111
87 5FU 0.417582 0.863014
88 C2G 0.417476 0.902778
89 UPA 0.416667 0.868421
90 U1S 0.415842 0.776316
91 7XL 0.415842 0.890411
92 U U U U 0.413462 0.913043
93 2TU 0.411765 0.777778
94 UTP U U U 0.409524 0.897059
95 139 0.406504 0.835443
96 APU 0.401639 0.831169
97 PMP UD1 0.40146 0.835443
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V91; Ligand: UPG; Similar sites found with APoc: 81
This union binding pocket(no: 1) in the query (biounit: 3v91.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2WR9 MAN MAN None
2 1U4L H1S None
3 2NSJ C2R None
4 1BCJ NGA 1.2987
5 4J6O CIT 1.71821
6 3L6R MLI 2.06186
7 1OJJ GLC GAL 2.06186
8 4MIX UD1 2.06186
9 1OJK GLC BGC 2.06186
10 1TD2 PXL 2.09059
11 5H4S RAM 2.4055
12 2D7I UDP 2.4055
13 4CQM NAP 2.68199
14 6BSW UDP 2.74914
15 6BSW CE6 2.74914
16 1TZJ A3B 2.74914
17 4Z2S NDG 2.8169
18 4Z2S NAG 2.8169
19 2OFE NAG 2.8169
20 6G47 SIA SIA 2.87081
21 2VL8 CTS 3.09278
22 2VL8 UDP 3.09278
23 2BVL UDP 3.09278
24 2BVL GLC 3.09278
25 1CZA G6P 3.09278
26 4M4K XYP XYP 3.13589
27 4M4K GDU 3.13589
28 5UQK U2F 3.43643
29 6FOF LAT 3.57143
30 2EV9 SKM 3.80228
31 1DQN IMU 3.91304
32 2HZQ STR 4.02299
33 2WZG UPG 4.12371
34 4RDN 6MD 4.19162
35 3IOI 1GW 4.811
36 4WZ8 3W7 4.811
37 5NE2 DGL 5.03597
38 3R7F CP 5.15464
39 1L5J TRA 5.15464
40 1UCD U5P 5.26316
41 5F5R ANP 5.46218
42 2OVW CBI 5.49828
43 2P6W FLC 5.6338
44 1YRO GDU 5.69106
45 4MBY BGC SIA GAL 5.7554
46 3AKI AH8 5.76923
47 1AF6 GLC FRU 5.84192
48 5JOX EDG 5.84192
49 2QGI UDP 6.04839
50 1UQX MMA 6.19469
51 4XFR CIT 6.87285
52 3X27 TRP 6.87285
53 6I6R H62 6.87285
54 6I6X H6B 6.87285
55 4IRP UDP 7.17131
56 6EYT NDG 7.2165
57 5H62 UDP 7.56014
58 1O7Q UDP 7.61246
59 1O7Q GAL NAG 7.61246
60 3CU0 UDP 7.82918
61 3CU0 GAL GAL SO4 7.82918
62 4YLZ LAT NAG GAL 7.84314
63 4B2D SER 7.90378
64 5VCM UDP 7.90378
65 3EEL 53T 7.90378
66 3KJS NAP 8.24742
67 3KJS DQ1 8.24742
68 4WGF HX2 8.29268
69 3OBT SLB 8.59107
70 3H55 GLA 9.27835
71 2WJH FLC 10.241
72 1XF1 CIT 10.3093
73 5NDF LU2 12.0275
74 5NDF UDP 12.0275
75 3BMN AX3 12.8472
76 1OMZ UD2 13.7457
77 6FXR UDP 14.0893
78 5N0F 7K2 15.4639
79 5M77 7K2 7K3 15.4639
80 1GA8 DEL 16.4948
81 1GA8 UPF 16.4948
Pocket No.: 2; Query (leader) PDB : 3V91; Ligand: UPG; 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: 3v91.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3V91; Ligand: UPG; 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: 3v91.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3V91; Ligand: UPG; 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: 3v91.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3V91; Ligand: UPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3v91.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3V91; Ligand: UPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3v91.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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