Receptor
PDB id Resolution Class Description Source Keywords
1Z3C 2.2 Å EC: 2.1.1.56 ENCEPHALITOZOOAN CUNICULI MRNA CAP (GUANINE-N7) METHYLTRANSFERASEIN COMPLEXED WITH AZOADOMET ENCEPHALITOZOON CUNICULI METHYLTRANSFERASE RNA CAP M7G MESSENGER RNA CAP AZOADOMET
Ref.: ENCEPHALITOZOON CUNICULI MRNA CAP (GUANINE N-7) METHYLTRANSFERASE: METHYL ACCEPTOR SPECIFICITY, INHIBITION BY S-ADENOSYLMETHIONINE ANALOGS, AND STRUCTURE-GUIDED MUTATIONAL ANALYSIS. J.BIOL.CHEM. V. 280 20404 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SA8 A:299;
 Valid;
 none;
 ic50 = 100 uM
381.387 C15 H23 N7 O5 C[N@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z3C 2.2 Å EC: 2.1.1.56 ENCEPHALITOZOOAN CUNICULI MRNA CAP (GUANINE-N7) METHYLTRANSFERASEIN COMPLEXED WITH AZOADOMET ENCEPHALITOZOON CUNICULI METHYLTRANSFERASE RNA CAP M7G MESSENGER RNA CAP AZOADOMET
Ref.: ENCEPHALITOZOON CUNICULI MRNA CAP (GUANINE N-7) METHYLTRANSFERASE: METHYL ACCEPTOR SPECIFICITY, INHIBITION BY S-ADENOSYLMETHIONINE ANALOGS, AND STRUCTURE-GUIDED MUTATIONAL ANALYSIS. J.BIOL.CHEM. V. 280 20404 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RI3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1Z3C ic50 = 100 uM SA8 C15 H23 N7 O5 C[N@@](CC[....
3 1RI4 - SAM C15 H22 N6 O5 S C[S@@+](CC....
4 1RI1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RI3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1Z3C ic50 = 100 uM SA8 C15 H23 N7 O5 C[N@@](CC[....
3 1RI4 - SAM C15 H22 N6 O5 S C[S@@+](CC....
4 1RI1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RI3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1Z3C ic50 = 100 uM SA8 C15 H23 N7 O5 C[N@@](CC[....
3 1RI4 - SAM C15 H22 N6 O5 S C[S@@+](CC....
4 1RI1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SA8; Similar ligands found: 229
No: Ligand ECFP6 Tc MDL keys Tc
1 SA8 1 1
2 62X 0.704545 0.933333
3 MAO 0.696203 0.871795
4 K15 0.677778 0.932432
5 MHZ 0.670732 0.871795
6 EP4 0.662162 0.875
7 SFG 0.642857 0.9
8 KB1 0.638298 0.88
9 EEM 0.625 0.945205
10 SAI 0.62069 0.902778
11 SAH 0.62069 0.915493
12 S7M 0.611111 0.893333
13 KH3 0.61 0.92
14 5X8 0.604651 0.887324
15 0UM 0.585106 0.905405
16 ADN 0.581081 0.794521
17 XYA 0.581081 0.794521
18 RAB 0.581081 0.794521
19 5CD 0.578947 0.805556
20 5N5 0.565789 0.819444
21 SAM 0.56044 0.945205
22 A4D 0.558442 0.794521
23 F0P 0.551402 0.891892
24 DTA 0.55 0.786667
25 M2T 0.55 0.826667
26 6RE 0.547619 0.805195
27 MTA 0.54321 0.873239
28 SMM 0.542553 0.907895
29 A5A 0.531915 0.666667
30 3DH 0.53012 0.847222
31 GJV 0.528736 0.794872
32 SSA 0.526316 0.663043
33 CA0 0.522222 0.731707
34 5AL 0.521277 0.7625
35 VMS 0.520833 0.652174
36 54H 0.520833 0.652174
37 LSS 0.520408 0.684783
38 DSZ 0.520408 0.681319
39 KAA 0.52 0.695652
40 GSU 0.52 0.7
41 A 0.517647 0.725
42 LMS 0.517647 0.644444
43 AMP 0.517647 0.725
44 J7C 0.517241 0.815789
45 ABM 0.517241 0.772152
46 5CA 0.515464 0.663043
47 TSB 0.515464 0.659341
48 53H 0.515464 0.645161
49 SXZ 0.514852 0.893333
50 S4M 0.511364 0.883117
51 SON 0.511111 0.765432
52 SRP 0.510417 0.765432
53 52H 0.505155 0.645161
54 AMO 0.50505 0.765432
55 LAD 0.504951 0.792683
56 A2D 0.5 0.707317
57 ME8 0.5 0.839506
58 AHX 0.5 0.717647
59 NVA LMS 0.5 0.695652
60 G5A 0.5 0.681319
61 ZAS 0.5 0.789474
62 5AS 0.5 0.645161
63 XAH 0.495238 0.752941
64 GEK 0.494949 0.878378
65 8QN 0.494949 0.7625
66 0XU 0.494624 0.847222
67 A3S 0.494505 0.835616
68 A7D 0.494505 0.849315
69 AN2 0.494505 0.698795
70 SRA 0.494253 0.690476
71 5AD 0.493506 0.771429
72 M33 0.48913 0.740741
73 ADX 0.48913 0.644444
74 A12 0.488889 0.722892
75 BA3 0.488889 0.707317
76 AP2 0.488889 0.722892
77 DSH 0.488636 0.864865
78 AOC 0.488636 0.797297
79 NEC 0.488636 0.794521
80 Y3J 0.4875 0.726027
81 TXA 0.485437 0.743902
82 DAL AMP 0.484848 0.7625
83 VRT 0.484211 0.864865
84 A3T 0.483871 0.821918
85 50T 0.483871 0.698795
86 AP5 0.483516 0.707317
87 B4P 0.483516 0.707317
88 ADP 0.483516 0.707317
89 A3N 0.483146 0.810811
90 YLP 0.481818 0.776471
91 LEU LMS 0.480392 0.677419
92 9ZD 0.48 0.746988
93 9ZA 0.48 0.746988
94 GAP 0.479167 0.753086
95 PRX 0.478723 0.753086
96 AT4 0.478261 0.682353
97 PAJ 0.475248 0.729412
98 NSS 0.475248 0.663043
99 F2R 0.474138 0.735632
100 ADP PO3 0.473684 0.725
101 AU1 0.473118 0.690476
102 A3G 0.47191 0.849315
103 FA5 0.471698 0.765432
104 3AM 0.471264 0.691358
105 NB8 0.471154 0.738095
106 PTJ 0.471154 0.738095
107 00A 0.470588 0.705882
108 YLB 0.469027 0.797619
109 YLC 0.469027 0.795181
110 7D7 0.468354 0.743243
111 HEJ 0.468085 0.707317
112 ATP 0.468085 0.707317
113 ACP 0.468085 0.710843
114 YSA 0.46729 0.663043
115 OOB 0.465347 0.740741
116 ACQ 0.463918 0.710843
117 APC 0.463158 0.722892
118 5FA 0.463158 0.707317
119 AQP 0.463158 0.707317
120 AR6 0.463158 0.728395
121 APR 0.463158 0.728395
122 WAQ 0.461538 0.768293
123 4AD 0.460784 0.756098
124 AAT 0.459184 0.818182
125 SAP 0.458333 0.674419
126 ADV 0.458333 0.743902
127 RBY 0.458333 0.743902
128 AD9 0.458333 0.690476
129 AGS 0.458333 0.674419
130 A5D 0.458333 0.786667
131 YAP 0.457944 0.756098
132 8PZ 0.457944 0.663043
133 9K8 0.457143 0.642105
134 8X1 0.455446 0.677419
135 7MD 0.454545 0.752941
136 2VA 0.452632 0.8
137 C8M 0.452632 0.958333
138 3UK 0.451923 0.731707
139 OAD 0.451923 0.753086
140 S8M 0.45098 0.828947
141 6YZ 0.45 0.710843
142 TAT 0.44898 0.682353
143 ANP 0.44898 0.690476
144 T99 0.44898 0.682353
145 9SN 0.448598 0.697674
146 B5V 0.447619 0.722892
147 TT8 0.445545 0.943662
148 B5Y 0.444444 0.73494
149 B5M 0.444444 0.73494
150 1ZZ 0.443396 0.77381
151 3OD 0.443396 0.753086
152 NVA 2AD 0.443299 0.853333
153 2AM 0.443182 0.682927
154 DLL 0.442308 0.740741
155 ARG AMP 0.441441 0.744186
156 A22 0.441176 0.698795
157 D3Y 0.441176 0.813333
158 A3P 0.44086 0.703704
159 AYB 0.440678 0.788235
160 ATF 0.44 0.682353
161 ADP ALF 0.44 0.674419
162 ALF ADP 0.44 0.674419
163 MYR AMP 0.439252 0.77381
164 SO8 0.438776 0.813333
165 9X8 0.438095 0.714286
166 5SV 0.436893 0.759036
167 VO4 ADP 0.435644 0.698795
168 ADP VO4 0.435644 0.698795
169 WSA 0.434783 0.67033
170 TYM 0.434783 0.765432
171 3NZ 0.433962 0.828947
172 P5A 0.433962 0.688172
173 PR8 0.433962 0.783133
174 A1R 0.432692 0.746988
175 7C5 0.432432 0.75
176 YLA 0.432203 0.755814
177 7D5 0.431818 0.674699
178 O8M 0.431579 0.916667
179 FYA 0.429907 0.740741
180 JB6 0.429907 0.705882
181 48N 0.429825 0.738095
182 MAP 0.427184 0.674419
183 80F 0.42623 0.696629
184 4YB 0.424779 0.684783
185 A6D 0.424528 0.702381
186 IOT 0.423729 0.747126
187 26A 0.423529 0.786667
188 TYR AMP 0.423423 0.756098
189 25A 0.423077 0.707317
190 ADQ 0.419048 0.710843
191 A3R 0.419048 0.746988
192 7MC 0.418803 0.755814
193 8Q2 0.418803 0.642105
194 BIS 0.416667 0.686047
195 YLY 0.416 0.809524
196 PPS 0.415842 0.626374
197 PAP 0.414141 0.695122
198 OVE 0.413043 0.658824
199 M8M 0.412371 0.85
200 3AD 0.411765 0.805556
201 MTP 0.411765 0.730769
202 ADP BMA 0.411215 0.710843
203 4UV 0.410714 0.714286
204 A2P 0.410526 0.691358
205 OMR 0.410256 0.764706
206 AHZ 0.408696 0.732558
207 A A 0.407407 0.707317
208 G3A 0.40708 0.678161
209 A8M 0.40625 0.894737
210 ATP A A A 0.405405 0.716049
211 AR6 AR6 0.403509 0.728395
212 G5P 0.403509 0.678161
213 4UU 0.403509 0.714286
214 GA7 0.403509 0.743902
215 ACK 0.402174 0.675
216 SP1 0.402174 0.666667
217 QQY 0.402174 0.642857
218 RP1 0.402174 0.666667
219 DND 0.401709 0.722892
220 NAX 0.401709 0.72093
221 NXX 0.401709 0.722892
222 NAI 0.401709 0.686047
223 TXD 0.401709 0.72619
224 4UW 0.401709 0.729412
225 TAD 0.4 0.709302
226 GTA 0.4 0.693182
227 7D3 0.4 0.658824
228 25L 0.4 0.698795
229 DQV 0.4 0.719512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z3C; Ligand: SA8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1z3c.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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