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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 26 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 23 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 (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6BK2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 6BK1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 6BK3 - B2S C15 H20 O6 CC1=C[C@H]....
4 6BK0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 5TME - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 5V2K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 5V2J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 5U6N - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
9 5U6S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
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 with APoc: 137
This union binding pocket(no: 1) in the query (biounit: 5v2j.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1WPQ 13P 0.859599
2 2FYF PLP 1.25628
3 3SUT OAN 1.3363
4 1CY2 TMP 1.3363
5 4AZC NGW 1.35747
6 4UP4 GAL NAG 1.49626
7 2D4V FLC 1.6317
8 5B0I BOG 1.74927
9 4HE2 AMP 1.77515
10 5LV1 78T 1.78571
11 2AF6 BRU 1.93798
12 1XV5 UDP 1.99501
13 1YQT ADP 2.00445
14 5YV5 ADP 2.00445
15 2WZF BGC 2.00445
16 4O08 PO6 2.18069
17 1DNP MHF 2.22717
18 4WBD CIT 2.22717
19 4X7R NTO 2.22717
20 4X7R 3YW 2.22717
21 4X7R UDP 2.22717
22 5AZA MAL 2.22717
23 5ZI9 FLC 2.30769
24 4XSU UDP 2.31959
25 4XSU GLC 2.31959
26 3KC1 2T6 2.37389
27 4KYD MAL 2.38095
28 4WZ6 ATP 2.41379
29 4XWT U5P 2.44989
30 2CBZ ATP 2.53165
31 4KVL PLM 2.67261
32 3ZX4 2M8 2.7027
33 5URY PAM 2.73973
34 1O8B ABF 2.73973
35 2BO4 FLC 2.77078
36 2OG2 MLI 2.78552
37 1NVT NAP 2.78746
38 3HBN UDP 2.83688
39 5CGE 51F 2.88809
40 1Q79 3AT 2.89532
41 6D1U MAL 2.89532
42 3BEO UDP 2.93333
43 3ITJ CIT 2.95858
44 2PZE ATP 3.05677
45 5ZXD ATP 3.11355
46 1Q19 SSC 3.11804
47 1P7T PYR 3.11804
48 2J5V PCA 3.26975
49 4FAI PBD 3.33333
50 2WT9 NIO 3.40426
51 4RIF 3R2 3.43008
52 4X1T UDP 3.43137
53 2H6T IVA VAL VAL STA ALA STA 3.52941
54 3V0H I3P 3.53982
55 3MN5 LAB 3.62117
56 3WUC GLC GAL 3.64964
57 3SI2 PBD 3.66972
58 4F9U PBD 3.84615
59 1R0X ATP 3.84615
60 3NHB ADP 3.92157
61 2WW5 CHT 4.00891
62 6FOG OXL 4.01786
63 1KSK URA 4.2735
64 2OCI TYC 4.33071
65 1A99 PUT 4.36047
66 2Y7I ARG 4.36681
67 1T9D P22 4.45434
68 5WKC TP9 4.45434
69 1RRV TYD 4.56731
70 5AJU RP5 4.74453
71 4RM0 FUC NDG GAL 4.74684
72 4RM0 FUC NAG GAL 4.74684
73 2D2F ADP 4.8
74 4G86 BNT 4.92958
75 5BJZ MAL 5.09259
76 3HYW DCQ 5.11628
77 3OTI TYD 5.27638
78 5LQ8 GB 5.31915
79 3Q3H UDP 5.34521
80 1GXU 2HP 5.49451
81 5II5 MAL 5.56793
82 1YBQ BDH 5.64103
83 3H4T UDP 5.69307
84 6DZN AE3 5.75221
85 3H4Z GLC GLC 5.79065
86 4IFP MAL 5.79065
87 6D6W GCU 5.79065
88 4AQ0 DMJ 5.79065
89 2ZE3 AKG 5.81818
90 3LLZ GAL NGA 6.01504
91 1VBO MAN 6.04027
92 4DDY DN6 6.08365
93 3HGM ATP 6.12245
94 3VSV XYP 6.23608
95 2CUN 3PG 6.34146
96 2VOH CIT 6.36943
97 4KYC MAL 6.42857
98 3S2U UD1 6.57534
99 3TTM PUT 6.6474
100 2JHP GUN 6.90423
101 4D52 GXL 6.98413
102 3GDN MXN 7.12695
103 4PPF FLC 7.14286
104 5JCJ 6JM 7.29167
105 1XXA ARG 7.69231
106 1BO4 COA 7.7381
107 2NUN ADP 7.73994
108 5NV8 TRH 7.94872
109 5E5U MLI 8.0402
110 6B8O PSF 8.28402
111 3IAA TYD 8.41346
112 3RSC TYD 8.43373
113 5W6Y TRP 8.5443
114 3T6E UQ9 8.66873
115 4ZJS 4P0 8.69565
116 3I6B KDO 8.88889
117 3HWW AKG 8.90869
118 3VPB GLU 8.92857
119 2MJP ANP 9.84456
120 4XR8 MAL 11.0553
121 4NTO 1PW 11.1111
122 4XZ3 ACP 11.3043
123 2X5F PLP 11.3953
124 3KP6 SAL 11.9205
125 3B9Q MLI 11.9205
126 1TIQ COA 12.2222
127 4LS3 HIS 12.3123
128 5LOL GSH 12.5581
129 5NM7 GLY 12.782
130 5LPG 71V 13.4146
131 5IQZ MAL 14.2212
132 3OTH CLJ 15.7767
133 3OTH TYD 15.7767
134 3KPE TM3 23.5294
135 4REL KMP 48.6547
136 2C1X UDP 49.5614
137 2VCH UDP 49.6659
Pocket No.: 2; Query (leader) PDB : 5V2J; Ligand: 7WV; Similar sites found with APoc: 137
This union binding pocket(no: 2) in the query (biounit: 5v2j.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1WPQ 13P 0.859599
2 2FYF PLP 1.25628
3 3SUT OAN 1.3363
4 1CY2 TMP 1.3363
5 4AZC NGW 1.35747
6 4UP4 GAL NAG 1.49626
7 2D4V FLC 1.6317
8 5B0I BOG 1.74927
9 4HE2 AMP 1.77515
10 5LV1 78T 1.78571
11 2AF6 BRU 1.93798
12 1XV5 UDP 1.99501
13 1YQT ADP 2.00445
14 5YV5 ADP 2.00445
15 2WZF BGC 2.00445
16 4O08 PO6 2.18069
17 1DNP MHF 2.22717
18 4WBD CIT 2.22717
19 4X7R NTO 2.22717
20 4X7R 3YW 2.22717
21 4X7R UDP 2.22717
22 5AZA MAL 2.22717
23 5ZI9 FLC 2.30769
24 4XSU UDP 2.31959
25 4XSU GLC 2.31959
26 3KC1 2T6 2.37389
27 4KYD MAL 2.38095
28 4WZ6 ATP 2.41379
29 4XWT U5P 2.44989
30 2CBZ ATP 2.53165
31 4KVL PLM 2.67261
32 3ZX4 2M8 2.7027
33 5URY PAM 2.73973
34 1O8B ABF 2.73973
35 2BO4 FLC 2.77078
36 2OG2 MLI 2.78552
37 1NVT NAP 2.78746
38 3HBN UDP 2.83688
39 5CGE 51F 2.88809
40 1Q79 3AT 2.89532
41 6D1U MAL 2.89532
42 3BEO UDP 2.93333
43 3ITJ CIT 2.95858
44 2PZE ATP 3.05677
45 5ZXD ATP 3.11355
46 1Q19 SSC 3.11804
47 1P7T PYR 3.11804
48 2J5V PCA 3.26975
49 4FAI PBD 3.33333
50 2WT9 NIO 3.40426
51 4RIF 3R2 3.43008
52 4X1T UDP 3.43137
53 2H6T IVA VAL VAL STA ALA STA 3.52941
54 3V0H I3P 3.53982
55 3MN5 LAB 3.62117
56 3WUC GLC GAL 3.64964
57 3SI2 PBD 3.66972
58 4F9U PBD 3.84615
59 1R0X ATP 3.84615
60 3NHB ADP 3.92157
61 2WW5 CHT 4.00891
62 6FOG OXL 4.01786
63 1KSK URA 4.2735
64 2OCI TYC 4.33071
65 1A99 PUT 4.36047
66 2Y7I ARG 4.36681
67 1T9D P22 4.45434
68 5WKC TP9 4.45434
69 1RRV TYD 4.56731
70 5AJU RP5 4.74453
71 4RM0 FUC NDG GAL 4.74684
72 4RM0 FUC NAG GAL 4.74684
73 2D2F ADP 4.8
74 4G86 BNT 4.92958
75 5BJZ MAL 5.09259
76 3HYW DCQ 5.11628
77 3OTI TYD 5.27638
78 5LQ8 GB 5.31915
79 3Q3H UDP 5.34521
80 1GXU 2HP 5.49451
81 5II5 MAL 5.56793
82 1YBQ BDH 5.64103
83 3H4T UDP 5.69307
84 6DZN AE3 5.75221
85 3H4Z GLC GLC 5.79065
86 4IFP MAL 5.79065
87 6D6W GCU 5.79065
88 4AQ0 DMJ 5.79065
89 2ZE3 AKG 5.81818
90 3LLZ GAL NGA 6.01504
91 1VBO MAN 6.04027
92 4DDY DN6 6.08365
93 3HGM ATP 6.12245
94 3VSV XYP 6.23608
95 2CUN 3PG 6.34146
96 2VOH CIT 6.36943
97 4KYC MAL 6.42857
98 3S2U UD1 6.57534
99 3TTM PUT 6.6474
100 2JHP GUN 6.90423
101 4D52 GXL 6.98413
102 3GDN MXN 7.12695
103 4PPF FLC 7.14286
104 5JCJ 6JM 7.29167
105 1XXA ARG 7.69231
106 1BO4 COA 7.7381
107 2NUN ADP 7.73994
108 5NV8 TRH 7.94872
109 5E5U MLI 8.0402
110 6B8O PSF 8.28402
111 3IAA TYD 8.41346
112 3RSC TYD 8.43373
113 5W6Y TRP 8.5443
114 3T6E UQ9 8.66873
115 4ZJS 4P0 8.69565
116 3I6B KDO 8.88889
117 3HWW AKG 8.90869
118 3VPB GLU 8.92857
119 2MJP ANP 9.84456
120 4XR8 MAL 11.0553
121 4NTO 1PW 11.1111
122 4XZ3 ACP 11.3043
123 2X5F PLP 11.3953
124 3KP6 SAL 11.9205
125 3B9Q MLI 11.9205
126 1TIQ COA 12.2222
127 4LS3 HIS 12.3123
128 5LOL GSH 12.5581
129 5NM7 GLY 12.782
130 5LPG 71V 13.4146
131 5IQZ MAL 14.2212
132 3OTH CLJ 15.7767
133 3OTH TYD 15.7767
134 3KPE TM3 23.5294
135 4REL KMP 48.6547
136 2C1X UDP 49.5614
137 2VCH UDP 49.6659
Pocket No.: 3; Query (leader) PDB : 5V2J; Ligand: UDP; Similar sites found with APoc: 31
This union binding pocket(no: 3) in the query (biounit: 5v2j.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1VBH PEP 1.55902
3 4GN8 ASO 1.67224
4 6HKE MLT 2.20126
5 1YTM OXD 2.22717
6 1OFZ FUL 2.24359
7 1OFZ FUC 2.24359
8 3TW1 AHN 2.53165
9 2AWN ADP 2.62467
10 5O2J 2PO 3.2967
11 5AHW CMP 3.40136
12 4B1W LAB 3.45745
13 2UVO NAG 3.50877
14 6CZY PMP 3.59116
15 5JVB 2PO 3.92857
16 3DM0 GLC GLC 4.00891
17 1OCU PIB 4.32099
18 4URX FK1 4.32432
19 1FWV SGA MAG FUC 4.47761
20 3QXQ CE5 5.35211
21 1M1B SPV 5.42373
22 2HGS ADP 5.79065
23 4QVH MAL 6.01336
24 4D4U FUC GAL NAG 6.98413
25 4D86 ADP 7.22892
26 3CQL NAG 7.40741
27 2P7Q GG6 7.5188
28 4YMZ 13P 9.56175
29 2XZ9 PYR 9.87654
30 2Y69 CHD 18.6047
31 1G6H ADP 21.0117
Pocket No.: 4; Query (leader) PDB : 5V2J; Ligand: 7WV; Similar sites found with APoc: 33
This union binding pocket(no: 4) in the query (biounit: 5v2j.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4GN8 ASO 1.67224
3 6HKE MLT 2.20126
4 1YTM OXD 2.22717
5 1OFZ FUL 2.24359
6 1OFZ FUC 2.24359
7 2Q8M AMP 2.40964
8 2AWN ADP 2.62467
9 1B0U ATP 3.05344
10 5AHW CMP 3.40136
11 4B1W LAB 3.45745
12 2UVO NAG 3.50877
13 6CZY PMP 3.59116
14 5Z0A NAG 3.66748
15 2GPT TLA 3.78619
16 5JVB 2PO 3.92857
17 3DM0 GLC GLC 4.00891
18 1OCU PIB 4.32099
19 4URX FK1 4.32432
20 5DGR GCS 4.45434
21 1FWV SGA MAG FUC 4.47761
22 1HQS CIT 4.49173
23 1M1B SPV 5.42373
24 2HGS ADP 5.79065
25 4QVH MAL 6.01336
26 2DUA OXL 6.89655
27 3CQL NAG 7.40741
28 2P7Q GG6 7.5188
29 1VAY AZA 7.66551
30 4YMZ 13P 9.56175
31 2XZ9 PYR 9.87654
32 2Y69 CHD 18.6047
33 1G6H ADP 21.0117
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