Receptor
PDB id Resolution Class Description Source Keywords
2IYA 1.7 Å EC: 2.4.1.- THE CRYSTAL STRUCTURE OF MACROLIDE GLYCOSYLTRANSFERASES: A BLUEPRINT FOR ANTIBIOTIC ENGINEERING STREPTOMYCES ANTIBIOTICUS CARBOHYDRATE GLYCOSYLATION GLYCOSYLTRANSFERASE ENZYME MACROLIDE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF TWO MACROLIDE GLYCOSYLTRANSFERASES PROVIDES A BLUEPRINT FOR HOST CELL ANTIBIOTIC IMMUNITY. PROC.NAT.ACAD.SCI.USA V. 104 5336 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UDP A:1424;
B:1424;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
ZIO A:1425;
B:1425;
Valid;
Valid;
none;
none;
submit data
687.858 C35 H61 N O12 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IYA 1.7 Å EC: 2.4.1.- THE CRYSTAL STRUCTURE OF MACROLIDE GLYCOSYLTRANSFERASES: A BLUEPRINT FOR ANTIBIOTIC ENGINEERING STREPTOMYCES ANTIBIOTICUS CARBOHYDRATE GLYCOSYLATION GLYCOSYLTRANSFERASE ENZYME MACROLIDE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF TWO MACROLIDE GLYCOSYLTRANSFERASES PROVIDES A BLUEPRINT FOR HOST CELL ANTIBIOTIC IMMUNITY. PROC.NAT.ACAD.SCI.USA V. 104 5336 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 2IYA - ZIO C35 H61 N O12 C[C@@H]1C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2IYA - ZIO C35 H61 N O12 C[C@@H]1C[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2IYF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2IYA - ZIO C35 H61 N O12 C[C@@H]1C[....
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: ZIO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZIO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IYA; Ligand: ZIO; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 2iya.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A7C 5D4 0.04118 0.40181 None
2 1ZGA HMK 0.0143 0.41144 1.68067
3 4V3I ASP LEU THR ARG PRO 0.04975 0.40043 2.33463
4 1NJJ GET 0.03242 0.40575 2.59434
5 5SWI BMA 0.006819 0.46253 3.06604
6 2HHP FLC 0.001961 0.42243 3.06604
7 4LH7 NMN 0.01412 0.42762 4.02477
8 4UCC ZKW 0.01844 0.44263 6.43777
9 4RW3 PLM 0.006332 0.40495 6.62252
10 4FLP JQ1 0.02601 0.4129 6.72269
11 3RV5 DXC 0.006444 0.47667 6.74157
12 3MYZ TFX 0.0282 0.41128 8
13 3V78 ET 0.009397 0.42037 8.65385
14 3TY3 GGG 0.03341 0.41077 8.74317
15 3SK2 GRI 0.007259 0.44103 9.09091
16 1A05 IPM 0.0252 0.41307 9.21788
17 3G4Q MCH 0.0118 0.41554 10.274
18 1XX4 BAM 0.02231 0.40868 10.3448
19 1B09 PC 0.03096 0.4104 10.6796
20 4UYG 73B 0.03925 0.40298 12.7389
21 2XCM ADP 0.01891 0.40193 16.3043
Pocket No.: 2; Query (leader) PDB : 2IYA; Ligand: UDP; Similar sites found: 47
This union binding pocket(no: 2) in the query (biounit: 2iya.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QV7 ADP 0.007884 0.40296 1.78042
2 2WTX VDO 0.01337 0.41301 1.88679
3 2WTX UDP 0.0156 0.40771 1.88679
4 5UAO FAD 0.02095 0.40569 1.88679
5 2BL9 CP6 0.01004 0.41891 2.10084
6 4DP3 MMV 0.01667 0.41588 2.12264
7 3BEO UDP 0.003894 0.4101 2.13333
8 5OFW 9TW 0.01842 0.41059 2.24215
9 2VBF TPP 0.008811 0.41329 2.35849
10 4C3Y ANB 0.03453 0.40199 2.35849
11 1ZPD DPX 0.006399 0.4197 2.59434
12 2C42 PYR 0.01737 0.40091 2.59434
13 3HBN UDP 0.003403 0.41533 2.83688
14 4X7R UDP 0.0005957 0.44153 3.06604
15 5ENZ UDP 0.005726 0.40546 3.11688
16 3TUR DGL 0.008774 0.42331 3.13589
17 1DR1 NAP 0.006511 0.42887 3.1746
18 5BUK FAD 0.02994 0.40346 3.30189
19 2R5N RP5 0.01099 0.41486 3.53774
20 2R5N TPP 0.0108 0.4141 3.53774
21 1RTW MP5 0.008132 0.42354 3.63636
22 3KDM TES 0.01973 0.40707 4.44444
23 2W9S NDP 0.01118 0.4072 4.96894
24 2RGH FAD 0.02331 0.40533 5.18868
25 1FWV SGA MAG FUC 0.009395 0.42332 5.22388
26 4K7O EKZ 0.01266 0.42058 5.35714
27 1D1G NDP 0.01134 0.40268 5.35714
28 2VK4 TPP 0.006864 0.41406 5.66038
29 4M7V RAR 0.01119 0.42342 6.85714
30 4M7V NAP 0.01462 0.40561 6.85714
31 2AWN ADP 0.01844 0.41536 7.08661
32 3S2U UD1 0.000003216 0.51677 8.21918
33 4REL KMP 0.000006781 0.42738 8.25472
34 4X1T UDP 0.00001108 0.51559 8.82353
35 3B6C SDN 0.009078 0.42112 8.97436
36 2NUN ADP 0.003031 0.43987 9.28793
37 2FZH DH1 0.03081 0.40035 11.165
38 1RRV TYD 0.00002789 0.50628 11.7788
39 2VCH UDP 0.0000000002555 0.75663 11.7925
40 5TCI MLI 0.004741 0.43703 11.9565
41 2C1X UDP 0.00000002786 0.46622 12.2642
42 5E5U MLI 0.02885 0.417 12.5
43 3H4T UDP 0.000003068 0.55636 17.8218
44 4RIF 3R2 0.00001698 0.45153 19.7889
45 3OTI TYD 0.0000004352 0.5472 38.191
46 3OTH TYD 0.00000007598 0.62659 40.7767
47 3OTH CLJ 0.00000108 0.41164 40.7767
Pocket No.: 3; Query (leader) PDB : 2IYA; Ligand: UDP; Similar sites found: 15
This union binding pocket(no: 3) in the query (biounit: 2iya.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H82 FAD 0.03777 0.41229 1.65094
2 1H82 GZZ 0.04098 0.41229 1.65094
3 1DNP MHF 0.02575 0.40457 1.65094
4 2IW1 U2F 0.01987 0.4009 2.13904
5 3EYA TDP 0.01521 0.40364 2.59434
6 1T9D P22 0.01191 0.41106 3.30189
7 2R5N R5P 0.008889 0.42529 3.53774
8 4JGT PYR 0.02801 0.40007 3.67893
9 4HA9 NDP 0.01258 0.40446 4.01606
10 4XSU GLC 0.0127 0.40882 5.15464
11 4XSU UDP 0.0127 0.40882 5.15464
12 1JXN MFU 0.01317 0.41143 5.78512
13 3WMX THR 0.01341 0.40512 6.70391
14 1M0S CIT 0.01481 0.40186 6.84932
15 3I9U DTU 0.01225 0.41134 9.88593
Pocket No.: 4; Query (leader) PDB : 2IYA; Ligand: ZIO; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 2iya.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JGS SAL 0.02971 0.40942 3.06604
2 1XZ3 ICF 0.0142 0.41254 3.44828
3 3TL1 JRO 0.03992 0.40033 6.91824
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