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: 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X1T; Ligand: UDP; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 4x1t.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RRV TYD 0.0002258 0.4607 1.22549
2 3ITJ CIT 0.007324 0.41879 2.07101
3 2VCH UDP 0.00004777 0.42604 2.20588
4 3Q3H UDP 0.007173 0.42425 2.20588
5 3H4T UDP 0.0001433 0.48757 2.22772
6 4PQG UDP 0.000155 0.45326 2.45098
7 2GEK GDP 0.005427 0.41621 2.69608
8 2VBF TPP 0.01597 0.40463 2.69608
9 4K7O EKZ 0.02263 0.40539 2.97619
10 3HBF UDP 0.00001965 0.48682 3.30396
11 3RSC TYD 0.00005314 0.50712 3.43137
12 3IAA TYD 0.00006717 0.46736 3.43137
13 1RZU ADP 0.00676 0.41607 3.43137
14 2ZJ5 ADP 0.01341 0.41294 3.92157
15 3CV3 UDP 0.001139 0.43074 3.94089
16 1YQT ADP 0.01048 0.41908 4.16667
17 5BNW 12V 0.01603 0.40931 4.16667
18 4GYW UDP 0.01573 0.40858 4.16667
19 3OTI TYD 0.0000002637 0.5464 4.27136
20 4NTO 1PW 0.01304 0.41486 4.34783
21 5TME UDP 0.00002215 0.5344 4.41176
22 3BEO UDP 0.00467 0.41101 4.53333
23 2IYF UDP 0.00001236 0.52516 4.65686
24 5E5U MLI 0.01394 0.43642 4.92424
25 2ACV UDP 0.00003553 0.51109 5.14706
26 4GDX GLU 0.02264 0.40373 5.64103
27 3OTH TYD 0.000008717 0.53188 6.06796
28 3H4L ANP 0.01107 0.40583 6.12745
29 5TH5 MET 0.02145 0.40224 6.46388
30 2C3W GLC GLC GLC GLC 0.02187 0.40256 6.86275
31 3HBN UDP 0.0001688 0.46616 7.0922
32 4RIF 3R2 0.00004158 0.43528 7.38786
33 1WS4 GYP 0.01016 0.41393 7.5188
34 1UGW GAL 0.01087 0.41245 7.5188
35 1UGY GLA GLC 0.01258 0.40597 7.5188
36 1JAC AMG 0.01293 0.4054 7.5188
37 1UGY GLA BGC 0.02117 0.40367 7.5188
38 4X7R UDP 0.0000266 0.48996 8.57843
39 4X7R 3YW 0.00005414 0.43223 8.57843
40 3OKP GDD 0.001291 0.44036 8.62944
41 2IYA UDP 0.00001108 0.51559 8.82353
42 3OKA GDD 0.001255 0.45095 8.92388
43 3JUC PCA 0.007264 0.43076 9.15033
44 1OCU PIB 0.01697 0.40304 12.963
45 2IV3 UDP 0.0002494 0.4745 14.3275
46 4XSU GLC 0.0001024 0.50232 15.1961
47 4XSU UDP 0.0001024 0.50232 15.1961
48 1NLM UD1 0.000009882 0.51863 15.3846
49 3S2U UD1 0.00007279 0.45649 20.098
50 4N39 UDP 0.00597 0.40628 37.5
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