Receptor
PDB id Resolution Class Description Source Keywords
2IYF 1.7 Å EC: 2.4.1.- THE CRYSTAL STRUCTURE OF MACROLIDE GLYCOSYLTRANSFERASES: A BLUEPRINT FOR ANTIBIOTIC ENGINEERING STREPTOMYCES ANTIBIOTICUS ANTIBIOTIC RESISTANCE GLYCOSYLATION GLYCOSYLTRANSFERASE ENZYME MACROLIDE TRANSFERASE CARBOHYDRATE
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
ERY A:1400;
B:1399;
Valid;
Valid;
none;
none;
submit data
733.927 C37 H67 N O13 CC[C@...
MG B:1401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
UDP A:1401;
B:1400;
Valid;
Valid;
none;
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
2IYF 1.7 Å EC: 2.4.1.- THE CRYSTAL STRUCTURE OF MACROLIDE GLYCOSYLTRANSFERASES: A BLUEPRINT FOR ANTIBIOTIC ENGINEERING STREPTOMYCES ANTIBIOTICUS ANTIBIOTIC RESISTANCE GLYCOSYLATION GLYCOSYLTRANSFERASE ENZYME MACROLIDE TRANSFERASE CARBOHYDRATE
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 2IYF - 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 22 families.
1 2IYF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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: ERY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ERY 1 1
2 CTY 0.831776 0.981481
3 ERB 0.790909 0.981481
4 ZIT 0.737288 0.898305
5 EY5 0.669565 1
Ligand no: 2; 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 : 2IYF; Ligand: UDP; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 2iyf.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DP3 MMV 0.04022 0.40003 1.92771
2 2B4R NAD 0.01923 0.40323 2.02899
3 4NTD FAD 0.02437 0.40563 2.05882
4 2BL9 CP6 0.01476 0.41426 2.10084
5 4EIL NDP 0.01346 0.40684 2.16867
6 4UP4 NDG 0.01279 0.42347 2.24439
7 4UP4 GAL NAG 0.01535 0.40935 2.24439
8 3E8N ATP 0.01707 0.41689 2.34604
9 2NUN ADP 0.001754 0.44932 2.47678
10 5BUK FAD 0.008582 0.43341 2.6506
11 1DSS NAD 0.01209 0.40627 2.7027
12 2C42 PYR 0.01772 0.40373 3.13253
13 3NYC FAD 0.04281 0.40312 3.14961
14 3B20 NAD 0.01245 0.4042 3.53982
15 4JBL MET 0.01845 0.40354 3.53982
16 3CIF NAD 0.01188 0.4107 3.89972
17 3CIF G3H 0.02208 0.40262 3.89972
18 2VYN NAD 0.01021 0.41381 3.92749
19 1J0X NAD 0.01697 0.41789 4.51807
20 4USI ATP 0.01044 0.40295 4.54545
21 1S14 NOV 0.01683 0.40555 4.63918
22 4X1T UDP 0.00001236 0.52516 4.65686
23 4X7R UDP 0.001945 0.4142 4.81928
24 1U70 MTX 0.03289 0.4036 4.83871
25 1U70 NDP 0.03289 0.4036 4.83871
26 3F3E LEU 0.02947 0.40063 5.54217
27 2C1X UDP 0.00000015 0.44329 5.78313
28 1RM4 NDP 0.0119 0.40935 5.93472
29 2VCH UDP 0.00000008649 0.64949 6.0241
30 3QV1 NAD 0.01226 0.40598 6.09756
31 1DR1 NAP 0.01269 0.41848 6.34921
32 3LLZ GAL NGA 0.0197 0.40369 6.76692
33 4REL KMP 0.00002185 0.40882 6.98795
34 1AOE GW3 0.02092 0.40982 8.85417
35 4GKV NAD 0.02531 0.40084 9.22619
36 1TKB N1T 0.01413 0.41305 9.39759
37 1RRV TYD 0.0004946 0.44714 10.5769
38 3S2U UD1 0.00001897 0.47747 10.9589
39 2R5N RP5 0.008058 0.42477 13.253
40 2R5N TPP 0.007982 0.42382 13.253
41 2R5N R5P 0.008895 0.42157 13.253
42 3H4T UDP 0.0002492 0.47666 17.3267
43 3S43 478 0.01212 0.41029 20.202
44 4RIF 3R2 0.0002495 0.41213 31.1346
45 3OTI TYD 0.00001368 0.53386 33.4171
46 3OTH TYD 0.00001122 0.52702 36.165
Pocket No.: 2; Query (leader) PDB : 2IYF; Ligand: ERY; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2iyf.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2IYF; Ligand: ERY; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2iyf.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2IYF; Ligand: UDP; Similar sites found: 78
This union binding pocket(no: 4) in the query (biounit: 2iyf.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HBN UDP 0.007241 0.42124 1.41844
2 3NRR NAP 0.01671 0.43232 1.44578
3 3NRR D16 0.02381 0.42728 1.44578
4 1EBF NAD 0.01097 0.42256 1.67598
5 3ICR FAD 0.03002 0.41403 1.92771
6 3ICS FAD 0.03188 0.41357 1.92771
7 1O9J NAD 0.03906 0.4006 1.92771
8 2XTZ GSP 0.01652 0.41349 1.9774
9 2B4R AES 0.0398 0.40017 2.02899
10 3KJS NAP 0.009137 0.43224 2.16867
11 3KJS DQ1 0.01551 0.43224 2.16867
12 3KL3 DHI 0.02305 0.40055 2.24439
13 1KOL NAD 0.04588 0.40316 2.26131
14 3Q3H UDP 0.00232 0.42617 2.40964
15 4LH0 GLV 0.04567 0.40327 2.40964
16 2FZH DH1 0.02125 0.42579 2.42718
17 3CTY FAD 0.03568 0.41608 2.50784
18 4PVV HO4 0.03294 0.4128 2.77778
19 5AOA PPI 0.002043 0.44023 2.7972
20 1PJS NAD 0.0118 0.41076 2.89157
21 1SVK ALF GDP 0.01913 0.41562 3.11615
22 1F06 NDP 0.04582 0.40123 3.125
23 1F06 2NP 0.04582 0.40123 3.125
24 2YHW BM3 0.02255 0.41311 3.207
25 4HA9 NDP 0.00547 0.43467 3.21285
26 4XSU UDP 0.01433 0.41809 3.35052
27 4XSU GLC 0.01433 0.41809 3.35052
28 3ZNN 4WL 0.02817 0.42969 3.45821
29 3ZNN FAD 0.02817 0.42969 3.45821
30 4M69 ANP 0.02024 0.40273 3.53357
31 5M67 ADE 0.0297 0.42355 3.61446
32 5M67 NAD 0.03016 0.42318 3.61446
33 1P3D UMA 0.01268 0.42221 3.61446
34 5M67 3D1 0.03465 0.41985 3.61446
35 1P31 EPU 0.008566 0.41957 3.61446
36 4YWV SSN 0.042 0.40006 3.61446
37 4N9I PCG 0.0139 0.44084 3.80952
38 2WGH DTP 0.01041 0.4071 3.85542
39 1NP7 FAD 0.02146 0.41302 4.09639
40 2NU8 COA 0.02372 0.42321 4.16667
41 4OR7 NAP 0.01211 0.4246 4.24242
42 4RJK TPP 0.01808 0.41561 4.33735
43 4RJK TDL 0.02751 0.4086 4.33735
44 2HK9 NAP 0.01384 0.42027 4.36364
45 5DXV NAP 0.01211 0.41728 4.48718
46 2IW1 U2F 0.02732 0.40503 4.54545
47 4M7V NAP 0.01742 0.42016 4.57143
48 4M7V RAR 0.02902 0.42016 4.57143
49 3EYA TDP 0.00758 0.43224 4.57831
50 5LJW ANP 0.01521 0.40335 4.61095
51 4UP3 NDP 0.02632 0.40019 4.77707
52 5AYV KPL 0.03397 0.40919 4.85437
53 1V8B NAD 0.02915 0.41374 5.06024
54 2X6T NAP 0.032 0.40515 5.32213
55 4W6Z 8ID 0.04077 0.40593 5.4755
56 1EQ2 NAP 0.0298 0.40678 5.48387
57 1MJH ATP 0.005797 0.43168 5.55556
58 2HMT NAI 0.02098 0.4052 5.55556
59 5FBN 5WF 0.04228 0.40207 5.90406
60 2W9S NDP 0.03601 0.40006 6.21118
61 1LDN NAD 0.01685 0.42092 6.64557
62 4A59 AMP 0.01804 0.40524 6.74699
63 5XDT MB3 0.02165 0.41748 7.14286
64 1LTH NAD 0.01666 0.4133 7.21003
65 1JUV NDP 0.0271 0.40521 7.25389
66 1MVN FMN 0.0108 0.42291 7.6555
67 1MVN PCO 0.01971 0.4228 7.6555
68 1JXZ BCA 0.02485 0.40845 9.66543
69 2IHT TPP 0.01164 0.42272 10.6024
70 2QQF A1R 0.02743 0.4036 11.039
71 2PAV ATP 0.03412 0.40369 11.5108
72 3RG9 NDP 0.01503 0.42801 11.6667
73 3RG9 WRA 0.01715 0.42801 11.6667
74 4EHU ANP 0.02619 0.40181 12.6812
75 2CUL FAD 0.02194 0.4193 17.2414
76 3HGM ATP 0.005569 0.43255 17.6871
77 2CIG 1DG 0.01826 0.43023 18.239
78 1D1G NDP 0.01028 0.42399 19.6429
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