Receptor
PDB id Resolution Class Description Source Keywords
6L5S 1.91 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GGCGT IN COMPLEX WITH UDP-GLU GLYCYRRHIZA GLABRA DI-C-GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: FUNCTIONAL CHARACTERIZATION AND STRUCTURAL BASIS OF EFFICIENT DI-C-GLYCOSYLTRANSFERASE FROMGLYCYRRHIZA J.AM.CHEM.SOC. V. 142 3506 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G50 A:502;
 Valid;
 none;
 submit data
274.269 C15 H14 O5 c1cc(...
GOL A:503;
A:504;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
UDP A:501;
 Valid;
 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
6L7H 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GGCGT IN COMPLEX WITH UDP AND NOTHOFAGI GLYCYRRHIZA GLABRA DI-C-GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: FUNCTIONAL CHARACTERIZATION AND STRUCTURAL BASIS OF EFFICIENT DI-C-GLYCOSYLTRANSFERASE FROMGLYCYRRHIZA J.AM.CHEM.SOC. V. 142 3506 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6L5S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 6L7H - E7F C21 H24 O10 c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6L5S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 6L7H - E7F C21 H24 O10 c1cc(ccc1C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 6LLZ Kd = 47.88 uM UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
2 6LLW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 7CYW - BUP C9 H14 Br N2 O15 P3 C1=C(C(=O)....
4 2VG8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 5NLM - IOS C8 H7 N O4 S c1ccc2c(c1....
6 6L5S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 6L7H - E7F C21 H24 O10 c1cc(ccc1C....
8 6LF6 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G50; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 G50 1 1
2 HPP 0.477273 0.62069
3 E7F 0.43662 0.722222
Ligand no: 2; Ligand: UDP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 U5F 0.878788 1
4 UNP 0.8 0.970149
5 U5P 0.78125 0.984615
6 U 0.78125 0.984615
7 UPU 0.72973 0.940298
8 2KH 0.722222 0.970149
9 44P 0.720588 0.955882
10 UFM 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GDU 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UDH 0.705128 0.864865
17 UPP 0.705128 0.941176
18 UFG 0.691358 0.888889
19 U2F 0.691358 0.888889
20 UPF 0.691358 0.888889
21 AWU 0.6875 0.941176
22 UAD 0.670732 0.941176
23 UDX 0.670732 0.941176
24 3UC 0.658824 0.888889
25 UGA 0.654762 0.955224
26 UGB 0.654762 0.955224
27 USQ 0.654762 0.820513
28 G3N 0.647059 0.914286
29 UGF 0.647059 0.901408
30 UDM 0.636364 0.914286
31 URI 0.625 0.863636
32 UD1 0.622222 0.927536
33 UD2 0.622222 0.927536
34 UDP GAL 0.611765 0.913043
35 Y6W 0.607143 0.888889
36 CDP 0.605263 0.942029
37 HP7 0.591398 0.941176
38 UD7 0.591398 0.927536
39 MJZ 0.585106 0.914286
40 IUG 0.583333 0.810127
41 HWU 0.578947 0.901408
42 UD4 0.578947 0.914286
43 12V 0.578947 0.901408
44 F5G 0.578947 0.927536
45 F5P 0.578947 0.914286
46 CJB 0.573529 0.820895
47 UDZ 0.571429 0.853333
48 DUD 0.571429 0.913043
49 UP5 0.571429 0.853333
50 EPZ 0.56 0.914286
51 5GW 0.559524 0.942029
52 EEB 0.554455 0.901408
53 EPU 0.554455 0.901408
54 UA3 0.547945 0.939394
55 U3P 0.547945 0.939394
56 4TC 0.544554 0.831169
57 HF4 0.54321 0.942029
58 CTP 0.54321 0.942029
59 BUP 0.536585 0.928571
60 CSV 0.531915 0.851351
61 CSQ 0.531915 0.851351
62 DUT 0.52439 0.913043
63 4GW 0.516484 0.915493
64 UMA 0.513761 0.914286
65 U4S 0.513158 0.753425
66 U2P 0.506667 0.954545
67 U3S 0.5 0.753425
68 U2S 0.5 0.767123
69 FZK 0.494253 0.777778
70 PUP 0.48913 0.913043
71 U21 0.486957 0.810127
72 U20 0.486957 0.810127
73 U22 0.486957 0.790123
74 DKX 0.486486 0.746479
75 U1S 0.482759 0.75
76 0RC 0.482759 0.864865
77 2QR 0.478632 0.822785
78 5FU 0.474359 0.914286
79 LSU 0.472527 0.738095
80 8OD 0.47191 0.851351
81 C5G 0.468085 0.888889
82 7XL 0.465909 0.888889
83 UMF 0.461538 0.857143
84 G8D 0.460674 0.855263
85 2TM 0.45977 0.902778
86 UTP U U U 0.456522 0.895522
87 YSU 0.453608 0.746988
88 2TU 0.452055 0.774648
89 4RA 0.451613 0.855263
90 C2G 0.450549 0.901408
91 DU 0.45 0.898551
92 CAR 0.45 0.927536
93 UMP 0.45 0.898551
94 C5P 0.45 0.927536
95 C 0.45 0.927536
96 UAG 0.448 0.864865
97 CDC 0.446809 0.777778
98 5BU 0.444444 0.914286
99 UD0 0.444444 0.844156
100 N3E 0.440476 0.733333
101 UC5 0.440476 0.9
102 UUA 0.438356 0.772727
103 DUP 0.431818 0.887324
104 2GW 0.431373 0.901408
105 M7G 0.430108 0.780488
106 CNU 0.428571 0.927536
107 CDM 0.427083 0.842105
108 H6Y 0.425532 0.851351
109 16B 0.421687 0.888889
110 S5P 0.419753 0.915493
111 8GT 0.419355 0.855263
112 CDP MG 0.418605 0.885714
113 CXY 0.418367 0.888889
114 UPA 0.418182 0.842105
115 U2G 0.410714 0.822785
116 UML 0.408759 0.810127
117 UP6 0.407407 0.871429
118 M7M 0.40625 0.771084
119 1GW 0.40367 0.864865
120 BMP 0.402439 0.970149
121 APU 0.401786 0.828947
122 PMP UD1 0.401575 0.7875
123 DUT MG 0.4 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: G50; Similar ligands found: 95
No: Ligand Similarity coefficient
1 X8W 0.9610
2 HCC 0.9525
3 BXB 0.9369
4 4KN 0.9307
5 4P9 0.9302
6 H0V 0.9261
7 QEI 0.9255
8 DX6 0.9159
9 IPJ 0.9143
10 87F 0.9109
11 D2S 0.9078
12 873 0.9055
13 IXE 0.9046
14 QUG 0.9025
15 1A6 0.9020
16 00G 0.9018
17 4JV 0.9010
18 5RU 0.8999
19 JVB 0.8998
20 PV2 0.8989
21 9W8 0.8980
22 5V3 0.8978
23 T5J 0.8976
24 A0R 0.8964
25 F41 0.8960
26 FO2 0.8949
27 L12 0.8940
28 KTM 0.8914
29 9RK 0.8906
30 PV8 0.8905
31 5RX 0.8898
32 28C 0.8895
33 9MK 0.8894
34 IXF 0.8894
35 9X0 0.8893
36 L02 0.8873
37 MF5 0.8850
38 WDU 0.8845
39 TYP 0.8842
40 OL8 0.8837
41 43J 0.8835
42 TCT 0.8835
43 87C 0.8834
44 OAG 0.8831
45 FUL 7KT 0.8817
46 51P 0.8816
47 4VR 0.8814
48 0RU 0.8798
49 BFS 0.8790
50 1HX 0.8785
51 JP5 0.8784
52 BRN 0.8783
53 JOQ 0.8778
54 ZW2 0.8768
55 SCE 0.8763
56 IDE 0.8761
57 OUL 0.8761
58 BG8 0.8760
59 PV0 0.8758
60 BAI 0.8758
61 FZ3 0.8751
62 SVG 0.8749
63 3G3 0.8747
64 9ME 0.8740
65 RO3 0.8740
66 KWK 0.8739
67 6IP 0.8728
68 PQD 0.8715
69 4JW 0.8715
70 7BJ 0.8714
71 20P 0.8711
72 EUB 0.8706
73 4UZ 0.8705
74 NAR 0.8700
75 5HG 0.8675
76 UV4 0.8659
77 LI4 0.8658
78 BGK 0.8658
79 0HZ 0.8657
80 OA5 0.8652
81 F6B 0.8647
82 H4T 0.8630
83 EMU 0.8604
84 4YE 0.8592
85 IPL 0.8582
86 Q86 0.8579
87 M16 0.8575
88 OH4 0.8567
89 PHQ THR 0.8563
90 ALJ 0.8562
91 775 0.8559
92 CMZ 0.8550
93 2BI 0.8549
94 GQZ 0.8546
95 GP6 0.8503
Ligand no: 2; Ligand: UDP; Similar ligands found: 55
No: Ligand Similarity coefficient
1 YYY 0.9739
2 TYD 0.9699
3 TBD 0.9623
4 GCQ 0.9509
5 ADP 0.9410
6 DUN 0.9317
7 D4D 0.9237
8 ADX 0.9224
9 AU1 0.9218
10 AP2 0.9215
11 SON 0.9211
12 GDP 0.9193
13 DAT 0.9189
14 IDP 0.9155
15 PRX 0.9148
16 ADP MG 0.9122
17 BEF ADP 0.9122
18 AN2 0.9115
19 A12 0.9102
20 M33 0.9098
21 CA0 0.9083
22 G5A 0.9077
23 CUU 0.9055
24 GAP 0.8984
25 DGI 0.8977
26 GNH 0.8961
27 FZQ 0.8919
28 7D3 0.8915
29 DAL AMP 0.8905
30 H2U 0.8888
31 CH 0.8874
32 AZD 0.8849
33 PSU 0.8815
34 CK7 0.8802
35 AMP 0.8793
36 FN5 0.8781
37 6AD 0.8757
38 A5A 0.8754
39 HQ5 0.8747
40 DCM 0.8724
41 8LH 0.8718
42 8GD 0.8708
43 ATY 0.8691
44 BMQ 0.8679
45 U6M 0.8672
46 NUP 0.8671
47 DC 0.8658
48 DCP 0.8657
49 TMP 0.8642
50 C8M 0.8633
51 TTP 0.8581
52 ATP 0.8570
53 DDN 0.8568
54 C2R 0.8549
55 D4T 0.8531
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6L7H; Ligand: E7F; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6l7h.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 6THT CIT 2.71318
2 2IYA UDP 12.7358
3 2IYF UDP 15.4217
Pocket No.: 2; Query (leader) PDB : 6L7H; Ligand: UDP; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 6l7h.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 2IYA UDP 12.7358
2 2IYF UDP 15.4217
Pocket No.: 3; Query (leader) PDB : 6L7H; Ligand: UDP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 6l7h.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6THT CIT 2.71318
2 2VCH UDP 49.789
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