Receptor
PDB id Resolution Class Description Source Keywords
5V2J 1.8 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF UDP-GLUCOSYLTRANSFERASE, UGT74F2 (T15S) AND 2-BROMOBENZOIC ACID ARABIDOPSIS THALIANA UDP-GLUCOSYLTRANSFERASE SALICYLIC ACID SALICYLIC ACID GLUCSALICYLIC ACID GLUCOSE ESTER TRANSFERASE
Ref.: DIFFERENCES IN SALICYLIC ACID GLUCOSE CONJUGATIONS UGT74F1 AND UGT74F2 FROM ARABIDOPSIS THALIANA. SCI REP V. 7 46629 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC B:501;
A:501;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
UDP B:503;
A:503;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
7WV A:504;
B:504;
Valid;
Valid;
none;
none;
submit data
201.017 C7 H5 Br O2 c1ccc...
LB2 A:502;
B:502;
Invalid;
Invalid;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V2J 1.8 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF UDP-GLUCOSYLTRANSFERASE, UGT74F2 (T15S) AND 2-BROMOBENZOIC ACID ARABIDOPSIS THALIANA UDP-GLUCOSYLTRANSFERASE SALICYLIC ACID SALICYLIC ACID GLUCSALICYLIC ACID GLUCOSE ESTER TRANSFERASE
Ref.: DIFFERENCES IN SALICYLIC ACID GLUCOSE CONJUGATIONS UGT74F1 AND UGT74F2 FROM ARABIDOPSIS THALIANA. SCI REP V. 7 46629 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5V2K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 5V2J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 5U6N - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 5U6S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5V2K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 5V2J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 5U6N - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 5U6S - 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 17 families.
1 5TME - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 5V2K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 5V2J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 5U6N - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 5U6S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: 7WV; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 7WV 1 1
2 3U4 0.5 0.888889
3 3SK 0.454545 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V2J; Ligand: UDP; Similar sites found: 51
This union binding pocket(no: 1) in the query (biounit: 5v2j.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FYF PLP 0.01134 0.42991 1.25628
2 3SUT OAN 0.02872 0.40499 1.3363
3 2AF6 BRU 0.0489 0.40355 1.93798
4 1YQT ADP 0.01607 0.42871 2.00445
5 4X7R UDP 0.0001736 0.4899 2.22717
6 4X7R 3YW 0.00124 0.42976 2.22717
7 5AZA MAL 0.03159 0.40286 2.22717
8 4WZ6 ATP 0.03046 0.41327 2.41379
9 2CBZ ATP 0.01498 0.42864 2.53165
10 3HBN UDP 0.003436 0.43483 2.83688
11 3BEO UDP 0.02009 0.40233 2.93333
12 2PZE ATP 0.02669 0.41505 3.05677
13 1P7T PYR 0.04311 0.41431 3.11804
14 4FAI PBD 0.04637 0.40155 3.33333
15 2WT9 NIO 0.03386 0.41006 3.40426
16 4RIF 3R2 0.00002562 0.49369 3.43008
17 3NHB ADP 0.03086 0.41283 3.92157
18 2VF7 ADP 0.02645 0.40322 4.00891
19 2OCI TYC 0.04708 0.40086 4.33071
20 1A99 PUT 0.02017 0.42366 4.36047
21 2Y7I ARG 0.03045 0.40369 4.36681
22 1T9D P22 0.01499 0.42801 4.45434
23 1RRV TYD 0.0001852 0.49356 4.56731
24 4RM0 FUC NDG GAL 0.01987 0.419 4.74684
25 4RM0 FUC NAG GAL 0.02787 0.41229 4.74684
26 3OTI TYD 0.0000005055 0.59116 5.27638
27 3Q3H UDP 0.0206 0.4206 5.34521
28 5II5 MAL 0.02452 0.40487 5.56793
29 3H4T UDP 0.0000004744 0.49321 5.69307
30 3H4Z GLC GLC 0.01416 0.42487 5.79065
31 4IFP MAL 0.01824 0.41913 5.79065
32 4AQ0 DMJ 0.04918 0.40016 5.79065
33 3LLZ GAL NGA 0.0152 0.41934 6.01504
34 2VOH CIT 0.01669 0.44603 6.36943
35 3S2U UD1 0.00001502 0.52697 6.57534
36 2JHP GUN 0.02934 0.40631 6.90423
37 4PPF FLC 0.04833 0.41207 7.14286
38 5JCJ 6JM 0.03546 0.40788 7.29167
39 2NUN ADP 0.007758 0.43849 7.73994
40 5E5U MLI 0.008748 0.46681 8.0402
41 3IAA TYD 0.000003909 0.55838 8.41346
42 3RSC TYD 0.000003068 0.47118 8.43373
43 3B9Q MLI 0.04753 0.40889 11.9205
44 5LOL GSH 0.04122 0.40359 12.5581
45 5LPG 71V 0.04202 0.40005 13.4146
46 5IQZ MAL 0.01216 0.42406 14.2212
47 3OTH TYD 0.0000001059 0.65206 15.7767
48 3OTH CLJ 0.000000119 0.50162 15.7767
49 4REL KMP 0.00000003512 0.57649 48.6547
50 2C1X UDP 0.00000000003415 0.70924 49.5614
51 2VCH UDP 0.0000000001754 0.69146 49.6659
Pocket No.: 2; Query (leader) PDB : 5V2J; Ligand: 7WV; Similar sites found: 51
This union binding pocket(no: 2) in the query (biounit: 5v2j.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FYF PLP 0.01134 0.42991 1.25628
2 3SUT OAN 0.02872 0.40499 1.3363
3 2AF6 BRU 0.0489 0.40355 1.93798
4 1YQT ADP 0.01607 0.42871 2.00445
5 4X7R UDP 0.0001736 0.4899 2.22717
6 4X7R 3YW 0.00124 0.42976 2.22717
7 5AZA MAL 0.03159 0.40286 2.22717
8 4WZ6 ATP 0.03046 0.41327 2.41379
9 2CBZ ATP 0.01498 0.42864 2.53165
10 3HBN UDP 0.003436 0.43483 2.83688
11 3BEO UDP 0.02009 0.40233 2.93333
12 2PZE ATP 0.02669 0.41505 3.05677
13 1P7T PYR 0.04311 0.41431 3.11804
14 4FAI PBD 0.04637 0.40155 3.33333
15 2WT9 NIO 0.03386 0.41006 3.40426
16 4RIF 3R2 0.00002562 0.49369 3.43008
17 3NHB ADP 0.03086 0.41283 3.92157
18 2VF7 ADP 0.02645 0.40322 4.00891
19 2OCI TYC 0.04708 0.40086 4.33071
20 1A99 PUT 0.02017 0.42366 4.36047
21 2Y7I ARG 0.03045 0.40369 4.36681
22 1T9D P22 0.01499 0.42801 4.45434
23 1RRV TYD 0.0001852 0.49356 4.56731
24 4RM0 FUC NDG GAL 0.01987 0.419 4.74684
25 4RM0 FUC NAG GAL 0.02787 0.41229 4.74684
26 3OTI TYD 0.0000005055 0.59116 5.27638
27 3Q3H UDP 0.0206 0.4206 5.34521
28 5II5 MAL 0.02452 0.40487 5.56793
29 3H4T UDP 0.0000004744 0.49321 5.69307
30 3H4Z GLC GLC 0.01416 0.42487 5.79065
31 4IFP MAL 0.01824 0.41913 5.79065
32 4AQ0 DMJ 0.04918 0.40016 5.79065
33 3LLZ GAL NGA 0.0152 0.41934 6.01504
34 2VOH CIT 0.01669 0.44603 6.36943
35 3S2U UD1 0.00001502 0.52697 6.57534
36 2JHP GUN 0.02934 0.40631 6.90423
37 4PPF FLC 0.04833 0.41207 7.14286
38 5JCJ 6JM 0.03546 0.40788 7.29167
39 2NUN ADP 0.007758 0.43849 7.73994
40 5E5U MLI 0.008748 0.46681 8.0402
41 3IAA TYD 0.000003909 0.55838 8.41346
42 3RSC TYD 0.000003068 0.47118 8.43373
43 3B9Q MLI 0.04753 0.40889 11.9205
44 5LOL GSH 0.04122 0.40359 12.5581
45 5LPG 71V 0.04202 0.40005 13.4146
46 5IQZ MAL 0.01216 0.42406 14.2212
47 3OTH TYD 0.0000001059 0.65206 15.7767
48 3OTH CLJ 0.000000119 0.50162 15.7767
49 4REL KMP 0.00000003512 0.57649 48.6547
50 2C1X UDP 0.00000000003415 0.70924 49.5614
51 2VCH UDP 0.0000000001754 0.69146 49.6659
Pocket No.: 3; Query (leader) PDB : 5V2J; Ligand: UDP; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 5v2j.bio2) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YTM OXD 0.04028 0.40291 2.22717
2 3TW1 AHN 0.04065 0.40797 2.53165
3 4B1W LAB 0.02904 0.40587 3.45745
4 3DM0 GLC GLC 0.03479 0.4055 4.00891
5 1FWV SGA MAG FUC 0.01798 0.42635 4.47761
6 4D4U FUC GAL NAG 0.02795 0.41541 6.98413
7 3CQL NAG 0.04946 0.40436 7.40741
8 2V57 PRL 0.02628 0.42031 8.94737
9 2Y69 CHD 0.03388 0.40946 18.6047
Pocket No.: 4; Query (leader) PDB : 5V2J; Ligand: 7WV; Similar sites found: 6
This union binding pocket(no: 4) in the query (biounit: 5v2j.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YTM OXD 0.03864 0.40291 2.22717
2 4B1W LAB 0.02761 0.40587 3.45745
3 3DM0 GLC GLC 0.03315 0.4055 4.00891
4 1FWV SGA MAG FUC 0.01737 0.42611 4.47761
5 3CQL NAG 0.04896 0.40317 7.40741
6 2Y69 CHD 0.03297 0.40907 18.6047
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