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: 249
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 SAH 0.62069 0.915493
11 SAI 0.62069 0.902778
12 S7M 0.611111 0.893333
13 KH3 0.61 0.92
14 5X8 0.604651 0.887324
15 HZ2 0.588235 0.868421
16 0UM 0.585106 0.905405
17 OZP 0.582524 0.891892
18 XYA 0.581081 0.794521
19 RAB 0.581081 0.794521
20 ADN 0.581081 0.794521
21 5CD 0.578947 0.805556
22 HY8 0.576923 0.868421
23 5N5 0.565789 0.819444
24 SAM 0.56044 0.945205
25 A4D 0.558442 0.794521
26 F0P 0.551402 0.891892
27 DTA 0.55 0.786667
28 M2T 0.55 0.826667
29 6RE 0.547619 0.805195
30 MTA 0.54321 0.873239
31 SMM 0.542553 0.907895
32 A5A 0.531915 0.666667
33 3DH 0.53012 0.847222
34 GJV 0.528736 0.794872
35 SSA 0.526316 0.663043
36 CA0 0.522222 0.731707
37 5AL 0.521277 0.7625
38 54H 0.520833 0.652174
39 VMS 0.520833 0.652174
40 DSZ 0.520408 0.681319
41 LSS 0.520408 0.684783
42 GSU 0.52 0.7
43 KAA 0.52 0.695652
44 A 0.517647 0.725
45 AMP 0.517647 0.725
46 LMS 0.517647 0.644444
47 ABM 0.517241 0.772152
48 45A 0.517241 0.772152
49 J7C 0.517241 0.815789
50 KG4 0.516484 0.731707
51 53H 0.515464 0.645161
52 5CA 0.515464 0.663043
53 TSB 0.515464 0.659341
54 SXZ 0.514852 0.893333
55 S4M 0.511364 0.883117
56 SON 0.511111 0.765432
57 SRP 0.510417 0.765432
58 52H 0.505155 0.645161
59 AMO 0.50505 0.765432
60 LAD 0.504951 0.792683
61 A2D 0.5 0.707317
62 ZAS 0.5 0.789474
63 N37 0.5 0.851351
64 AHX 0.5 0.717647
65 NVA LMS 0.5 0.695652
66 ME8 0.5 0.839506
67 5AS 0.5 0.645161
68 G5A 0.5 0.681319
69 XAH 0.495238 0.752941
70 8QN 0.494949 0.7625
71 GEK 0.494949 0.878378
72 8LH 0.494845 0.765432
73 0XU 0.494624 0.847222
74 A7D 0.494505 0.849315
75 A3S 0.494505 0.835616
76 AN2 0.494505 0.698795
77 ADP MG 0.494505 0.725
78 SRA 0.494253 0.690476
79 5AD 0.493506 0.771429
80 8LE 0.489583 0.73494
81 M33 0.48913 0.740741
82 ADX 0.48913 0.644444
83 A12 0.488889 0.722892
84 BA3 0.488889 0.707317
85 AP2 0.488889 0.722892
86 NEC 0.488636 0.794521
87 AOC 0.488636 0.797297
88 DSH 0.488636 0.864865
89 Y3J 0.4875 0.726027
90 TXA 0.485437 0.743902
91 DAL AMP 0.484848 0.7625
92 8LQ 0.484848 0.7875
93 VRT 0.484211 0.864865
94 50T 0.483871 0.698795
95 A3T 0.483871 0.821918
96 B4P 0.483516 0.707317
97 AP5 0.483516 0.707317
98 ADP 0.483516 0.707317
99 A3N 0.483146 0.810811
100 YLP 0.481818 0.776471
101 LEU LMS 0.480392 0.677419
102 9ZA 0.48 0.746988
103 9ZD 0.48 0.746988
104 GAP 0.479167 0.753086
105 PRX 0.478723 0.753086
106 AT4 0.478261 0.682353
107 NSS 0.475248 0.663043
108 PAJ 0.475248 0.729412
109 F2R 0.474138 0.735632
110 ADP PO3 0.473684 0.725
111 ATP MG 0.473684 0.725
112 AU1 0.473118 0.690476
113 A3G 0.47191 0.849315
114 FA5 0.471698 0.765432
115 3AM 0.471264 0.691358
116 NB8 0.471154 0.738095
117 PTJ 0.471154 0.738095
118 00A 0.470588 0.705882
119 YLB 0.469027 0.797619
120 YLC 0.469027 0.795181
121 7D7 0.468354 0.743243
122 HEJ 0.468085 0.707317
123 ACP 0.468085 0.710843
124 ATP 0.468085 0.707317
125 YSA 0.46729 0.663043
126 OOB 0.465347 0.740741
127 ACQ 0.463918 0.710843
128 AR6 0.463158 0.728395
129 AQP 0.463158 0.707317
130 5FA 0.463158 0.707317
131 APR 0.463158 0.728395
132 APC 0.463158 0.722892
133 WAQ 0.461538 0.768293
134 4AD 0.460784 0.756098
135 AAT 0.459184 0.818182
136 A5D 0.458333 0.786667
137 SAP 0.458333 0.674419
138 RBY 0.458333 0.743902
139 ADV 0.458333 0.743902
140 AGS 0.458333 0.674419
141 APC MG 0.458333 0.728395
142 AD9 0.458333 0.690476
143 YAP 0.457944 0.756098
144 8PZ 0.457944 0.663043
145 9K8 0.457143 0.642105
146 N5O 0.455556 0.835616
147 8X1 0.455446 0.677419
148 7MD 0.454545 0.752941
149 H1Q 0.452632 0.716049
150 2VA 0.452632 0.8
151 C8M 0.452632 0.958333
152 OAD 0.451923 0.753086
153 3UK 0.451923 0.731707
154 S8M 0.45098 0.828947
155 6YZ 0.45 0.710843
156 TAT 0.44898 0.682353
157 ANP 0.44898 0.690476
158 T99 0.44898 0.682353
159 9SN 0.448598 0.697674
160 J4G 0.447619 0.777778
161 B5V 0.447619 0.722892
162 N5A 0.445652 0.833333
163 HQG 0.445545 0.719512
164 TT8 0.445545 0.943662
165 B5M 0.444444 0.73494
166 B5Y 0.444444 0.73494
167 3OD 0.443396 0.753086
168 1ZZ 0.443396 0.77381
169 NVA 2AD 0.443299 0.853333
170 2AM 0.443182 0.682927
171 DLL 0.442308 0.740741
172 ARG AMP 0.441441 0.744186
173 A22 0.441176 0.698795
174 D3Y 0.441176 0.813333
175 A3P 0.44086 0.703704
176 AYB 0.440678 0.788235
177 ADP ALF 0.44 0.674419
178 ATF 0.44 0.682353
179 ALF ADP 0.44 0.674419
180 MYR AMP 0.439252 0.77381
181 SO8 0.438776 0.813333
182 9X8 0.438095 0.714286
183 5SV 0.436893 0.759036
184 ADP VO4 0.435644 0.698795
185 VO4 ADP 0.435644 0.698795
186 WSA 0.434783 0.67033
187 TYM 0.434783 0.765432
188 PR8 0.433962 0.783133
189 3NZ 0.433962 0.828947
190 P5A 0.433962 0.688172
191 A1R 0.432692 0.746988
192 7C5 0.432432 0.75
193 YLA 0.432203 0.755814
194 7D5 0.431818 0.674699
195 O8M 0.431579 0.916667
196 JB6 0.429907 0.705882
197 FYA 0.429907 0.740741
198 48N 0.429825 0.738095
199 MAP 0.427184 0.674419
200 80F 0.42623 0.696629
201 4YB 0.424779 0.684783
202 A6D 0.424528 0.702381
203 IOT 0.423729 0.747126
204 26A 0.423529 0.786667
205 TYR AMP 0.423423 0.756098
206 OZV 0.423077 0.707317
207 25A 0.423077 0.707317
208 ADQ 0.419048 0.710843
209 A3R 0.419048 0.746988
210 8Q2 0.418803 0.642105
211 7MC 0.418803 0.755814
212 BIS 0.416667 0.686047
213 YLY 0.416 0.809524
214 PPS 0.415842 0.626374
215 PAP 0.414141 0.695122
216 OVE 0.413043 0.658824
217 M8M 0.412371 0.85
218 3AD 0.411765 0.805556
219 MTP 0.411765 0.730769
220 ADP BMA 0.411215 0.710843
221 4UV 0.410714 0.714286
222 A2P 0.410526 0.691358
223 OMR 0.410256 0.764706
224 AHZ 0.408696 0.732558
225 A A 0.407407 0.707317
226 G3A 0.40708 0.678161
227 A8M 0.40625 0.894737
228 ATP A A A 0.405405 0.716049
229 ATP A 0.405405 0.716049
230 KOY 0.405172 0.802632
231 GA7 0.403509 0.743902
232 4UU 0.403509 0.714286
233 AR6 AR6 0.403509 0.728395
234 G5P 0.403509 0.678161
235 ACK 0.402174 0.675
236 SP1 0.402174 0.666667
237 RP1 0.402174 0.666667
238 QQY 0.402174 0.642857
239 4UW 0.401709 0.729412
240 TXD 0.401709 0.72619
241 NAX 0.401709 0.72093
242 NXX 0.401709 0.722892
243 DND 0.401709 0.722892
244 NAI 0.401709 0.686047
245 7D3 0.4 0.658824
246 TAD 0.4 0.709302
247 DQV 0.4 0.719512
248 GTA 0.4 0.693182
249 25L 0.4 0.698795
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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