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Receptor
PDB id Resolution Class Description Source Keywords
2ACV 2 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA UGT71G1 MEDICAGO TRUNCATULA GLYCOSYLTRANSFERASE UDP
Ref.: CRYSTAL STRUCTURES OF A MULTIFUNCTIONAL TRITERPENE/FLAVONOID GLYCOSYLTRANSFERASE FROM MEDICAGO TRUNCATULA. PLANT CELL V. 17 3141 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UDP A:900;
B:901;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ACV 2 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA UGT71G1 MEDICAGO TRUNCATULA GLYCOSYLTRANSFERASE UDP
Ref.: CRYSTAL STRUCTURES OF A MULTIFUNCTIONAL TRITERPENE/FLAVONOID GLYCOSYLTRANSFERASE FROM MEDICAGO TRUNCATULA. PLANT CELL V. 17 3141 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 2ACV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 2ACV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2ACV - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ACV; Ligand: UDP; Similar sites found with APoc: 153
This union binding pocket(no: 1) in the query (biounit: 2acv.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 1ZPD DPX 1.2959
3 2WTX VDO 1.2959
4 2WTX UDP 1.2959
5 1T90 NAD 1.51188
6 5TC4 NAD 1.58228
7 4DP3 NDP 1.72786
8 4DP3 MMV 1.72786
9 1YQT ADP 1.72786
10 4EIL NDP 1.72786
11 1E1M FAD 1.73913
12 1E1M NAP 1.73913
13 3ITJ CIT 1.77515
14 6EOA FMN 1.84615
15 5NM7 GLY 1.8797
16 3F3E LEU 1.94384
17 1NHX FTB 1.94384
18 1NHX PEP 1.94384
19 1DIG NAP 1.96078
20 5YU3 NAD 2.03488
21 5YU3 PRO 2.03488
22 6EJI UD2 2.14477
23 2VBF TPP 2.15983
24 2JLB UDM 2.15983
25 3WMX THR 2.23464
26 5B0I BOG 2.33236
27 4C3Y FAD 2.37581
28 2D2F ADP 2.4
29 3B5J 12D 2.46914
30 3G5S FAD 2.48307
31 2BL9 NDP 2.52101
32 2BL9 CP6 2.52101
33 4DHY GLC 2.59179
34 1G6H ADP 2.72374
35 1MVN PCO 2.87081
36 1MVN FMN 2.87081
37 5YAP 8S0 2.89474
38 5YAP NAI 2.89474
39 2X7J TPP 3.02376
40 4CNK FAD 3.06905
41 4PTN PYR 3.207
42 5FJJ MAN 3.23974
43 5WXK TYD 3.40314
44 1B0U ATP 3.43511
45 4WZ6 ATP 3.44828
46 1D8C GLV 3.45572
47 1P7T PYR 3.45572
48 5NV8 TRH 3.58974
49 3AB1 FAD 3.61111
50 5A96 GTP 3.61446
51 5XVR TRH 3.64583
52 1J3I NDP 3.65854
53 1J3I WRA 3.65854
54 1DNP MHF 3.67171
55 5FQK 6NT 3.71747
56 4XSU GLC 3.86598
57 4XSU UDP 3.86598
58 3S2U UD1 3.88769
59 2QZS 250 3.88769
60 2QZS GLC 3.88769
61 2QZS ADP 3.88769
62 3KP6 SAL 3.97351
63 5MB4 NAG 3.99003
64 5AJU RP5 4.0146
65 3NRR NAP 4.31965
66 3NRR D16 4.31965
67 2C42 TPP 4.31965
68 2C42 PYR 4.31965
69 2DRC MTX 4.40252
70 4U00 ADP 4.5082
71 2NU8 COA 4.51389
72 2GMH FAD 4.53564
73 2NUN ADP 4.64396
74 1E6E FAD 4.6875
75 3Q3H UDP 4.75162
76 3H4T UDP 4.9505
77 1Q19 SSC 4.9676
78 4PIV NDP 4.9676
79 1JJ7 ADP 5
80 5N53 8NB 5.12821
81 4X1T UDP 5.14706
82 1T9D P25 5.18359
83 1T9D PYD 5.18359
84 1T9D 1MM 5.18359
85 1T9D FAD 5.18359
86 5WKC TP9 5.18359
87 5WKC AUJ 5.18359
88 1T9D P22 5.18359
89 5ZYN FAD 5.18359
90 5W6Y TRP 5.37975
91 3RG9 WRA 5.41667
92 3RG9 NDP 5.41667
93 2ADD SUC 5.61555
94 4HA9 NDP 5.62249
95 1KQN NAD 5.73477
96 6DEN TP9 5.83153
97 6DEN G8A 5.83153
98 6DEN FAD 5.83153
99 3NHB ADP 5.88235
100 4G86 BNT 5.98592
101 3HBN UDP 6.02837
102 4RIF 3R2 6.0686
103 1AOE NDP 6.25
104 1AOE GW3 6.25
105 5ESO TDP 6.2635
106 5ESO ISC 6.2635
107 1DR1 NAP 6.34921
108 1DR1 HBI 6.34921
109 2VOH CIT 6.36943
110 1U72 NDP 6.45161
111 1U72 MTX 6.45161
112 3EEL 53T 6.60793
113 3IA4 NDP 6.79012
114 5E5U MLI 6.81818
115 2W9S NDP 6.8323
116 6GAS FAD 6.94864
117 1U70 NDP 6.98925
118 1U70 MTX 6.98925
119 3OTI TYD 7.03518
120 4NTO 1PW 7.24638
121 4KM2 TOP 7.26257
122 4KM2 ATR 7.26257
123 4X7R 3YW 7.34341
124 4X7R NTO 7.34341
125 4X7R UDP 7.34341
126 3KJS DQ1 7.34341
127 3KJS NAP 7.34341
128 2IW1 U2F 7.48663
129 4WBD CIT 7.5594
130 2FZH DH1 7.76699
131 2PZE ATP 7.86026
132 4YSW FAD 8.20734
133 4YSW NAI 8.20734
134 5URY PAM 8.21918
135 1D1G NDP 8.33333
136 1JUV NDP 8.80829
137 1NVM NAD 9.29487
138 5W8X UDP 9.42408
139 3OTH CLJ 9.46602
140 3OTH TYD 9.46602
141 1OZH HE3 9.71731
142 2ZJ5 ADP 9.71922
143 4I4B NAD 10.514
144 3IAA TYD 10.8173
145 3RSC TYD 10.8434
146 1GXU 2HP 10.989
147 2AWN ADP 11.0236
148 1FWV SGA MAG FUC 11.194
149 1V97 FAD 11.4471
150 4M7V RAR 12.5714
151 1RRV TYD 13.4615
152 4REL KMP 34.5291
153 2C1X UDP 39.9123
Pocket No.: 2; Query (leader) PDB : 2ACV; Ligand: UDP; Similar sites found with APoc: 53
This union binding pocket(no: 2) in the query (biounit: 2acv.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1UWK NAD 1.2959
2 1UWK URO 1.2959
3 5WX3 COA 1.76768
4 4HE2 AMP 1.77515
5 5EYP GDP 1.79775
6 2GMV UN8 1.94384
7 1DIG L37 1.96078
8 5KVS NAP 2.07792
9 4JB1 NAP 2.35294
10 1TKB N1T 2.37581
11 1I52 CTP 2.54237
12 4GYW UDP 2.59179
13 4N3A UDP 2.59179
14 5BNW 12V 2.59179
15 2TPS TPS 2.64317
16 6DIO NAD 2.7972
17 2R5N RP5 2.80778
18 2R5N TPP 2.80778
19 3IX9 NDP 3.15789
20 3NJ4 NAD 3.44828
21 4KVL PLM 3.45572
22 3RYC GTP 3.4965
23 3CRZ NAP 3.50195
24 2QV7 ADP 3.56083
25 1O9J NAD 3.67171
26 4PPF FLC 3.71429
27 1KOR SIN 4
28 1KOR ARG 4
29 4MO2 FDA 4.07609
30 4XT8 TMQ 4.26357
31 4XT8 NAP 4.26357
32 4ITM ATP 4.44444
33 2JJK R15 4.73373
34 3LU1 NAD 4.75162
35 4LAE NAP 4.79042
36 4LAE 1VM 4.79042
37 1G63 FMN 4.97238
38 5XKT GNP 6
39 3FPZ AHZ 6.13497
40 3DFR NDP 6.17284
41 1NVT NAP 6.27178
42 4BFW ZVW 6.60377
43 6A3J NAI 6.82927
44 5FA6 FAD 6.91145
45 5FA6 NAP 6.91145
46 4OR7 NAP 8.48485
47 2CIG 1DG 8.80503
48 1OMO NAD 9.00621
49 3FPF MTA 11.4094
50 3FPF TNA 11.4094
51 3HWW AKG 12.527
52 4M7V NAP 12.5714
53 5ZBL AMP 12.8079
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