Receptor
PDB id Resolution Class Description Source Keywords
2YX1 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF M.JANNASCHII TRNA M1G37 METHYLTRANSFERA METHANOCALDOCOCCUS JANNASCHII METHYL TRANSFERASE TRNA MODIFICATION ENZYME TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF ARCHAEAL TRNA(M(1)G37)METHYLTR ATRM5. PROTEINS V. 72 1274 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SFG A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
381.387 C15 H23 N7 O5 c1nc(...
ZN A:501;
A:502;
A:503;
A:504;
B:505;
B:506;
B:507;
B:508;
B:509;
B:510;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YX1 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF M.JANNASCHII TRNA M1G37 METHYLTRANSFERA METHANOCALDOCOCCUS JANNASCHII METHYL TRANSFERASE TRNA MODIFICATION ENZYME TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF ARCHAEAL TRNA(M(1)G37)METHYLTR ATRM5. PROTEINS V. 72 1274 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2YX1 - SFG C15 H23 N7 O5 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2YX1 - SFG C15 H23 N7 O5 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2YX1 - SFG C15 H23 N7 O5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFG; Similar ligands found: 231
No: Ligand ECFP6 Tc MDL keys Tc
1 SFG 1 1
2 0UM 0.689655 0.887324
3 SAI 0.654762 0.940298
4 SA8 0.642857 0.9
5 SAH 0.635294 0.954545
6 EEM 0.62069 0.875
7 5X8 0.619048 0.924242
8 S7M 0.606742 0.875
9 ADN 0.597222 0.850746
10 RAB 0.597222 0.850746
11 XYA 0.597222 0.850746
12 5CD 0.594595 0.863636
13 5N5 0.581081 0.850746
14 62X 0.574468 0.84
15 A4D 0.573333 0.850746
16 K15 0.568421 0.863014
17 DTA 0.564103 0.84058
18 6RE 0.560976 0.833333
19 SAM 0.555556 0.875
20 EP4 0.551282 0.802817
21 KB1 0.55102 0.887324
22 M2T 0.544304 0.780822
23 SMM 0.537634 0.84
24 MTA 0.5375 0.826087
25 AMP 0.53012 0.77027
26 A 0.53012 0.77027
27 ZAS 0.53012 0.816901
28 LMS 0.53012 0.678571
29 J7C 0.529412 0.84507
30 3DH 0.52439 0.826087
31 GJV 0.523256 0.821918
32 SON 0.522727 0.813333
33 0XU 0.522222 0.938462
34 SRP 0.521277 0.813333
35 SSA 0.521277 0.697674
36 AOC 0.517647 0.826087
37 CA0 0.516854 0.776316
38 5AL 0.516129 0.786667
39 DSZ 0.515464 0.717647
40 AMO 0.515464 0.813333
41 GSU 0.515152 0.738095
42 KH3 0.514286 0.851351
43 ABM 0.511628 0.75
44 A2D 0.511628 0.75
45 A3N 0.511628 0.814286
46 A5A 0.510638 0.682353
47 5CA 0.510417 0.697674
48 SRA 0.505882 0.730769
49 S4M 0.505747 0.792208
50 A3S 0.505618 0.895522
51 A7D 0.505618 0.882353
52 AN2 0.505618 0.74026
53 GAP 0.505376 0.776316
54 54H 0.5 0.666667
55 M33 0.5 0.74026
56 LAD 0.5 0.818182
57 A12 0.5 0.766234
58 ADX 0.5 0.678571
59 Y3J 0.5 0.80303
60 DSH 0.5 0.871429
61 LSS 0.5 0.681818
62 KAA 0.5 0.712644
63 VMS 0.5 0.666667
64 AP2 0.5 0.766234
65 BA3 0.5 0.75
66 SXZ 0.49505 0.875
67 ME8 0.49505 0.775
68 AHX 0.494949 0.759494
69 53H 0.494845 0.659091
70 DAL AMP 0.494845 0.786667
71 TSB 0.494845 0.674419
72 G5A 0.494624 0.697674
73 50T 0.494505 0.74026
74 ADP 0.494382 0.75
75 5AS 0.494382 0.640449
76 AP5 0.494382 0.75
77 B4P 0.494382 0.75
78 F0P 0.490909 0.9
79 GEK 0.489796 0.913043
80 8QN 0.489796 0.786667
81 AT4 0.488889 0.721519
82 5AD 0.486842 0.828125
83 PAJ 0.484848 0.728395
84 52H 0.484536 0.659091
85 AU1 0.483516 0.730769
86 MAO 0.483146 0.782051
87 A3G 0.482759 0.882353
88 NEC 0.482759 0.797101
89 3AM 0.482353 0.733333
90 YAP 0.480769 0.802632
91 7D7 0.480519 0.794118
92 NB8 0.480392 0.782051
93 TXA 0.480392 0.766234
94 NVA LMS 0.48 0.693182
95 ATF 0.479167 0.721519
96 HEJ 0.478261 0.75
97 A3T 0.478261 0.852941
98 ACP 0.478261 0.753247
99 ATP 0.478261 0.75
100 7MD 0.476636 0.775
101 YSA 0.47619 0.697674
102 XAH 0.47619 0.775
103 9ZA 0.474747 0.746835
104 9ZD 0.474747 0.746835
105 APR 0.473118 0.773333
106 5FA 0.473118 0.75
107 AR6 0.473118 0.773333
108 AQP 0.473118 0.75
109 PRX 0.473118 0.753247
110 APC 0.473118 0.766234
111 WAQ 0.470588 0.815789
112 4AD 0.47 0.802632
113 NSS 0.47 0.697674
114 F2R 0.469565 0.756098
115 A5D 0.468085 0.84058
116 RBY 0.468085 0.789474
117 ADV 0.468085 0.789474
118 AD9 0.468085 0.730769
119 AGS 0.468085 0.7125
120 SAP 0.468085 0.7125
121 ADP PO3 0.468085 0.77027
122 MHZ 0.467391 0.782051
123 FA5 0.466667 0.813333
124 PTJ 0.466019 0.7375
125 00A 0.465347 0.746835
126 8X1 0.464646 0.693182
127 D3Y 0.464646 0.869565
128 VRT 0.463158 0.871429
129 GA7 0.462963 0.74359
130 LEU LMS 0.460784 0.674157
131 S8M 0.46 0.859155
132 OOB 0.46 0.786667
133 ADP VO4 0.459184 0.74026
134 VO4 ADP 0.459184 0.74026
135 T99 0.458333 0.721519
136 ANP 0.458333 0.730769
137 TAT 0.458333 0.721519
138 ACQ 0.458333 0.753247
139 B5V 0.456311 0.766234
140 AAT 0.453608 0.847222
141 2AM 0.453488 0.723684
142 8PZ 0.45283 0.697674
143 FYA 0.451923 0.786667
144 YLC 0.451327 0.797468
145 DLL 0.45098 0.786667
146 A3P 0.450549 0.746667
147 YLP 0.45045 0.777778
148 A22 0.45 0.74026
149 ARG AMP 0.449541 0.765432
150 ADP ALF 0.44898 0.7125
151 ALF ADP 0.44898 0.7125
152 2VA 0.446809 0.828571
153 OAD 0.446602 0.776316
154 3UK 0.446602 0.776316
155 80F 0.445378 0.73494
156 TYR AMP 0.444444 0.802632
157 6YZ 0.444444 0.753247
158 IOT 0.443478 0.768293
159 9SN 0.443396 0.7375
160 PR8 0.442308 0.807692
161 P5A 0.442308 0.704545
162 7D5 0.44186 0.714286
163 A1R 0.441176 0.769231
164 7C5 0.440367 0.797297
165 TT8 0.44 0.926471
166 YLA 0.439655 0.777778
167 YLB 0.438596 0.777778
168 3OD 0.438095 0.776316
169 9K8 0.438095 0.655556
170 BIS 0.438095 0.725
171 1ZZ 0.438095 0.753086
172 NVA 2AD 0.4375 0.859155
173 MAP 0.435644 0.7125
174 MYR AMP 0.433962 0.753086
175 NAI 0.433628 0.725
176 SO8 0.43299 0.816901
177 9X8 0.432692 0.734177
178 A6D 0.432692 0.74359
179 25A 0.431373 0.75
180 5SV 0.431373 0.7375
181 TYM 0.429825 0.813333
182 WSA 0.429825 0.705882
183 LAQ 0.428571 0.753086
184 3NZ 0.428571 0.833333
185 A3R 0.427184 0.769231
186 ADQ 0.427184 0.753247
187 8Q2 0.426087 0.674157
188 7MC 0.426087 0.756098
189 B5Y 0.425926 0.75641
190 B5M 0.425926 0.75641
191 LPA AMP 0.424779 0.753086
192 48N 0.424779 0.759494
193 JB6 0.424528 0.746835
194 PPS 0.424242 0.658824
195 AYB 0.423729 0.768293
196 PAP 0.42268 0.736842
197 OVE 0.422222 0.696203
198 3AD 0.421687 0.863636
199 4YB 0.419643 0.72093
200 A2P 0.419355 0.733333
201 CMP 0.419355 0.753425
202 2BA 0.419355 0.743243
203 ADP BMA 0.419048 0.753247
204 4UV 0.418182 0.75641
205 AHZ 0.415929 0.731707
206 QQX 0.41573 0.670886
207 A A 0.415094 0.75
208 AP0 0.413793 0.695122
209 ATP A A A 0.412844 0.76
210 SP1 0.411111 0.705128
211 QQY 0.411111 0.679487
212 ACK 0.411111 0.716216
213 RP1 0.411111 0.705128
214 AFH 0.410714 0.728395
215 4UU 0.410714 0.75641
216 DND 0.408696 0.766234
217 NXX 0.408696 0.766234
218 TXD 0.408696 0.725
219 7D3 0.408602 0.696203
220 CC5 0.407407 0.876923
221 25L 0.407407 0.74026
222 TAD 0.40708 0.75
223 DQV 0.40708 0.763158
224 AMP DBH 0.405405 0.753247
225 TXE 0.405172 0.725
226 AF3 ADP 3PG 0.405172 0.75
227 OMR 0.405172 0.743902
228 MTP 0.404762 0.72973
229 N0B 0.401575 0.777778
230 V3L 0.4 0.773333
231 YLY 0.4 0.768293
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YX1; Ligand: SFG; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2yx1.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4GQB 0XU 8.92857
Pocket No.: 2; Query (leader) PDB : 2YX1; Ligand: SFG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2yx1.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YX1; Ligand: SFG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2yx1.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2YX1; Ligand: SFG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2yx1.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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