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Receptor
PDB id Resolution Class Description Source Keywords
4X1T 2.25 Å EC: 2.4.1.46 THE CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA GALACTOLIPID S MGD1 IN COMPLEX WITH UDP ARABIDOPSIS THALIANA MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE GT-B FOLD GLYCOSYLTRANSFERASE GALACTOLIPID TRANSFERASE
Ref.: STRUCTURAL INSIGHTS AND MEMBRANE BINDING PROPERTIES THE MAJOR GALACTOLIPID SYNTHASE IN PLANTS. PLANT J. V. 85 622 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:606;
A:607;
A:604;
A:602;
A:610;
A:608;
A:609;
A:605;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
UDP A:601;
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
4X1T 2.25 Å EC: 2.4.1.46 THE CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA GALACTOLIPID S MGD1 IN COMPLEX WITH UDP ARABIDOPSIS THALIANA MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE GT-B FOLD GLYCOSYLTRANSFERASE GALACTOLIPID TRANSFERASE
Ref.: STRUCTURAL INSIGHTS AND MEMBRANE BINDING PROPERTIES THE MAJOR GALACTOLIPID SYNTHASE IN PLANTS. PLANT J. V. 85 622 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4X1T - 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 1 families.
1 4X1T - 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 1 families.
1 4X1T - 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 : 4X1T; Ligand: UDP; Similar sites found with APoc: 141
This union binding pocket(no: 1) in the query (biounit: 4x1t.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1RRV TYD 1.22549
2 4KVL PLM 1.47059
3 5ENZ UDP 1.55844
4 4L80 OXL 1.72414
5 5N0J FAD 1.9943
6 3ITJ FAD 2.07101
7 3ITJ CIT 2.07101
8 5W7B MYR 2.12766
9 2VCH UDP 2.20588
10 3Q3H UDP 2.20588
11 4KGD FAD 2.20588
12 4KGD TDP 2.20588
13 5W6Y TRP 2.21519
14 3H4T UDP 2.22772
15 2C1X UDP 2.45098
16 4PQG UDP 2.45098
17 3KJS DQ1 2.45098
18 6MVU K4V 2.45098
19 3KJS NAP 2.45098
20 4G86 BNT 2.46479
21 3IA4 NDP 2.46914
22 5XVR TRH 2.60417
23 4REL KMP 2.69058
24 4WBD CIT 2.69608
25 2VBF TPP 2.69608
26 2GEK GDP 2.69608
27 5K0A FAD 2.72727
28 2JLB UDM 2.94118
29 4F97 GDP 2.94118
30 4K7O EKZ 2.97619
31 1DR1 NAP 3.1746
32 1DR1 HBI 3.1746
33 4DP3 MMV 3.18627
34 4DP3 NDP 3.18627
35 1ZDQ MSM 3.27381
36 3HBF MYC 3.30396
37 3HBF UDP 3.30396
38 5V2J 7WV 3.43137
39 5V2J UDP 3.43137
40 3RSC TYD 3.43137
41 3IAA TYD 3.43137
42 1RZU ADP 3.43137
43 3EYA TDP 3.43137
44 5ZI9 FLC 3.46154
45 4H03 ATP 3.46667
46 4H03 LAR 3.46667
47 1D1G NDP 3.57143
48 1QNF HDF 3.67647
49 3RG9 NDP 3.75
50 3RG9 WRA 3.75
51 2ZJ5 ADP 3.92157
52 3CV3 UDP 3.94089
53 4PIO SAH 4.02477
54 1YQT ADP 4.16667
55 5BNW 12V 4.16667
56 4GYW UDP 4.16667
57 3OTI TYD 4.27136
58 1J39 UPG 4.2735
59 4NTO 1PW 4.34783
60 6BK3 UDP 4.41176
61 2NXW TPP 4.41176
62 3BEO UDP 4.53333
63 1YKJ FAD 4.56853
64 1YKJ PHB 4.56853
65 2IYF UDP 4.65686
66 5E5U MLI 4.92424
67 2ACV UDP 5.14706
68 1NVM NAD 5.14706
69 2BO4 FLC 5.28967
70 1U72 NDP 5.37634
71 1U72 MTX 5.37634
72 4M52 M52 5.39216
73 2QZS GLC 5.39216
74 2QZS 250 5.39216
75 2QZS ADP 5.39216
76 5URY PAM 5.47945
77 4WZ6 ATP 5.63725
78 4GDX GLU 5.64103
79 4XT8 TMQ 5.81395
80 4XT8 NAP 5.81395
81 5AJU RP5 5.83942
82 4ZOH FAD 5.95238
83 4LAE 1VM 5.98802
84 4LAE NAP 5.98802
85 3OTH CLJ 6.06796
86 3OTH TYD 6.06796
87 6EJI UD2 6.12745
88 3H4L ANP 6.12745
89 4C3Y FAD 6.12745
90 6CS8 F9Y 6.27063
91 5TH5 MET 6.46388
92 1JOT GAL A2G 6.76692
93 2C3W GLC GLC GLC GLC 6.86275
94 3EEL 53T 7.04846
95 3HBN UDP 7.0922
96 2WTX UDP 7.35294
97 2WTX VDO 7.35294
98 1CY2 TMP 7.35294
99 4U8P FDA 7.35294
100 4RIF 3R2 7.38786
101 1H5R THM 7.50853
102 1H5S TMP 7.50853
103 5NM7 GLY 7.5188
104 1KUJ MMA 7.5188
105 1WS4 GYP 7.5188
106 1WS5 MMA 7.5188
107 1TOQ AMG 7.5188
108 1UGW GAL 7.5188
109 4AKB GAL 7.5188
110 1M26 GAL A2G 7.5188
111 1UGY GLA GLC 7.5188
112 1JAC AMG 7.5188
113 1UGY GLA BGC 7.5188
114 4KM2 ATR 7.82123
115 4KM2 TOP 7.82123
116 2WLG SOP 8.37209
117 4X7R NTO 8.57843
118 4X7R UDP 8.57843
119 4X7R 3YW 8.57843
120 3OKP GDD 8.62944
121 2IYA UDP 8.82353
122 3OKA GDD 8.92388
123 3JUC PCA 9.15033
124 6H3O FAD 9.55882
125 2VWT PYR 9.73783
126 5ZBL AMP 10.3448
127 3SJH LAR 11.1111
128 2BL9 CP6 11.3445
129 2BL9 NDP 11.3445
130 5WXK TYD 12.8571
131 1OCU PIB 12.963
132 5NV8 TRH 13.0769
133 1AOE NDP 13.5417
134 1AOE GW3 13.5417
135 2IV3 UDP 14.3275
136 4XSU UDP 15.1961
137 4XSU GLC 15.1961
138 1NLM UD1 15.3846
139 3S2U UD1 20.098
140 2IW1 U2F 20.8333
141 4N3A UDP 26.9231
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