Receptor
PDB id Resolution Class Description Source Keywords
5F8F 1.9 Å EC: 2.-.-.- RV2258C-SFG MYCOBACTERIUM TUBERCULOSIS H37RV METHYLTRANSFERASE CLASS I SINEFUNGIN S-ADENOSYL-L-HOMOCYSCOMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF RV2258C FROM MYCOBACTERIUM TUB H37RV, AN S-ADENOSYL-L-METHIONINE-DEPENDENT METHYLTRANSFERASE J.STRUCT.BIOL. V. 193 172 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SFG C:400;
B:400;
A:401;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
381.387 C15 H23 N7 O5 c1nc(...
GOL A:403;
A:404;
A:402;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F8F 1.9 Å EC: 2.-.-.- RV2258C-SFG MYCOBACTERIUM TUBERCULOSIS H37RV METHYLTRANSFERASE CLASS I SINEFUNGIN S-ADENOSYL-L-HOMOCYSCOMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF RV2258C FROM MYCOBACTERIUM TUB H37RV, AN S-ADENOSYL-L-METHIONINE-DEPENDENT METHYLTRANSFERASE J.STRUCT.BIOL. V. 193 172 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 307 families.
1 5F8F - 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 275 families.
1 5F8F - 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 212 families.
1 5F8F - SFG C15 H23 N7 O5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFG; Similar ligands found: 252
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 XYA 0.597222 0.850746
10 ADN 0.597222 0.850746
11 RAB 0.597222 0.850746
12 5CD 0.594595 0.863636
13 N37 0.582524 0.940298
14 5N5 0.581081 0.850746
15 62X 0.574468 0.84
16 A4D 0.573333 0.850746
17 K15 0.568421 0.863014
18 DTA 0.564103 0.84058
19 6RE 0.560976 0.833333
20 SAM 0.555556 0.875
21 EP4 0.551282 0.802817
22 KB1 0.55102 0.887324
23 M2T 0.544304 0.780822
24 SMM 0.537634 0.84
25 MTA 0.5375 0.826087
26 A 0.53012 0.77027
27 LMS 0.53012 0.678571
28 ZAS 0.53012 0.816901
29 AMP 0.53012 0.77027
30 J7C 0.529412 0.84507
31 KG4 0.52809 0.776316
32 3DH 0.52439 0.826087
33 HZ2 0.52381 0.875
34 GJV 0.523256 0.821918
35 SON 0.522727 0.813333
36 0XU 0.522222 0.938462
37 SSA 0.521277 0.697674
38 SRP 0.521277 0.813333
39 AOC 0.517647 0.826087
40 CA0 0.516854 0.776316
41 5AL 0.516129 0.786667
42 AMO 0.515464 0.813333
43 DSZ 0.515464 0.717647
44 GSU 0.515152 0.738095
45 KH3 0.514286 0.851351
46 45A 0.511628 0.75
47 A2D 0.511628 0.75
48 ABM 0.511628 0.75
49 A3N 0.511628 0.814286
50 A5A 0.510638 0.682353
51 5CA 0.510417 0.697674
52 SRA 0.505882 0.730769
53 S4M 0.505747 0.792208
54 AN2 0.505618 0.74026
55 A3S 0.505618 0.895522
56 A7D 0.505618 0.882353
57 GAP 0.505376 0.776316
58 OZP 0.504673 0.9
59 M33 0.5 0.74026
60 KAA 0.5 0.712644
61 ADX 0.5 0.678571
62 HY8 0.5 0.875
63 A12 0.5 0.766234
64 Y3J 0.5 0.80303
65 BA3 0.5 0.75
66 DSH 0.5 0.871429
67 VMS 0.5 0.666667
68 AP2 0.5 0.766234
69 LAD 0.5 0.818182
70 54H 0.5 0.666667
71 LSS 0.5 0.681818
72 ME8 0.49505 0.775
73 SXZ 0.49505 0.875
74 AHX 0.494949 0.759494
75 53H 0.494845 0.659091
76 TSB 0.494845 0.674419
77 DAL AMP 0.494845 0.786667
78 G5A 0.494624 0.697674
79 50T 0.494505 0.74026
80 ADP 0.494382 0.75
81 AP5 0.494382 0.75
82 B4P 0.494382 0.75
83 5AS 0.494382 0.640449
84 F0P 0.490909 0.9
85 GEK 0.489796 0.913043
86 8QN 0.489796 0.786667
87 8LH 0.489583 0.766234
88 AT4 0.488889 0.721519
89 ADP MG 0.488889 0.77027
90 5AD 0.486842 0.828125
91 PAJ 0.484848 0.728395
92 52H 0.484536 0.659091
93 8LE 0.484211 0.75641
94 APC MG 0.483871 0.773333
95 AU1 0.483516 0.730769
96 MAO 0.483146 0.782051
97 A3G 0.482759 0.882353
98 NEC 0.482759 0.797101
99 3AM 0.482353 0.733333
100 YAP 0.480769 0.802632
101 7D7 0.480519 0.794118
102 NB8 0.480392 0.782051
103 TXA 0.480392 0.766234
104 NVA LMS 0.48 0.693182
105 8LQ 0.479592 0.789474
106 ATF 0.479167 0.721519
107 A3T 0.478261 0.852941
108 H1Q 0.478261 0.76
109 ACP 0.478261 0.753247
110 HEJ 0.478261 0.75
111 ATP 0.478261 0.75
112 7MD 0.476636 0.775
113 XAH 0.47619 0.775
114 YSA 0.47619 0.697674
115 9ZD 0.474747 0.746835
116 9ZA 0.474747 0.746835
117 AQP 0.473118 0.75
118 APR 0.473118 0.773333
119 APC 0.473118 0.766234
120 PRX 0.473118 0.753247
121 AR6 0.473118 0.773333
122 5FA 0.473118 0.75
123 WAQ 0.470588 0.815789
124 NSS 0.47 0.697674
125 4AD 0.47 0.802632
126 F2R 0.469565 0.756098
127 A5D 0.468085 0.84058
128 SAP 0.468085 0.7125
129 AGS 0.468085 0.7125
130 RBY 0.468085 0.789474
131 ADP PO3 0.468085 0.77027
132 AD9 0.468085 0.730769
133 ATP MG 0.468085 0.77027
134 ADV 0.468085 0.789474
135 MHZ 0.467391 0.782051
136 FA5 0.466667 0.813333
137 PTJ 0.466019 0.7375
138 N5O 0.465909 0.867647
139 00A 0.465347 0.746835
140 D3Y 0.464646 0.869565
141 8X1 0.464646 0.693182
142 VRT 0.463158 0.871429
143 GA7 0.462963 0.74359
144 LEU LMS 0.460784 0.674157
145 S8M 0.46 0.859155
146 OOB 0.46 0.786667
147 VO4 ADP 0.459184 0.74026
148 ADP VO4 0.459184 0.74026
149 ACQ 0.458333 0.753247
150 ANP 0.458333 0.730769
151 TAT 0.458333 0.721519
152 T99 0.458333 0.721519
153 B5V 0.456311 0.766234
154 J4G 0.456311 0.826667
155 N5A 0.455556 0.865672
156 HQG 0.454545 0.763158
157 AAT 0.453608 0.847222
158 2AM 0.453488 0.723684
159 8PZ 0.45283 0.697674
160 FYA 0.451923 0.786667
161 YLC 0.451327 0.797468
162 DLL 0.45098 0.786667
163 A3P 0.450549 0.746667
164 YLP 0.45045 0.777778
165 A22 0.45 0.74026
166 ARG AMP 0.449541 0.765432
167 ADP ALF 0.44898 0.7125
168 ALF ADP 0.44898 0.7125
169 2VA 0.446809 0.828571
170 3UK 0.446602 0.776316
171 OAD 0.446602 0.776316
172 OZV 0.445545 0.75
173 80F 0.445378 0.73494
174 6YZ 0.444444 0.753247
175 TYR AMP 0.444444 0.802632
176 IOT 0.443478 0.768293
177 9SN 0.443396 0.7375
178 PR8 0.442308 0.807692
179 P5A 0.442308 0.704545
180 7D5 0.44186 0.714286
181 A1R 0.441176 0.769231
182 7C5 0.440367 0.797297
183 TT8 0.44 0.926471
184 YLA 0.439655 0.777778
185 YLB 0.438596 0.777778
186 3OD 0.438095 0.776316
187 9K8 0.438095 0.655556
188 BIS 0.438095 0.725
189 1ZZ 0.438095 0.753086
190 NVA 2AD 0.4375 0.859155
191 MAP 0.435644 0.7125
192 MYR AMP 0.433962 0.753086
193 NAI 0.433628 0.725
194 SO8 0.43299 0.816901
195 A6D 0.432692 0.74359
196 9X8 0.432692 0.734177
197 25A 0.431373 0.75
198 5SV 0.431373 0.7375
199 TYM 0.429825 0.813333
200 WSA 0.429825 0.705882
201 3NZ 0.428571 0.833333
202 LAQ 0.428571 0.753086
203 A3R 0.427184 0.769231
204 ADQ 0.427184 0.753247
205 7MC 0.426087 0.756098
206 8Q2 0.426087 0.674157
207 B5Y 0.425926 0.75641
208 B5M 0.425926 0.75641
209 48N 0.424779 0.759494
210 LPA AMP 0.424779 0.753086
211 JB6 0.424528 0.746835
212 PPS 0.424242 0.658824
213 AYB 0.423729 0.768293
214 PAP 0.42268 0.736842
215 OVE 0.422222 0.696203
216 B1U 0.422018 0.623656
217 3AD 0.421687 0.863636
218 4YB 0.419643 0.72093
219 A2P 0.419355 0.733333
220 2BA 0.419355 0.743243
221 CMP 0.419355 0.753425
222 ADP BMA 0.419048 0.753247
223 4UV 0.418182 0.75641
224 AHZ 0.415929 0.731707
225 QQX 0.41573 0.670886
226 A A 0.415094 0.75
227 AP0 0.413793 0.695122
228 ATP A 0.412844 0.76
229 ATP A A A 0.412844 0.76
230 KOY 0.412281 0.857143
231 QQY 0.411111 0.679487
232 RP1 0.411111 0.705128
233 ACK 0.411111 0.716216
234 SP1 0.411111 0.705128
235 4UU 0.410714 0.75641
236 AFH 0.410714 0.728395
237 DND 0.408696 0.766234
238 NXX 0.408696 0.766234
239 TXD 0.408696 0.725
240 7D3 0.408602 0.696203
241 25L 0.407407 0.74026
242 CC5 0.407407 0.876923
243 TAD 0.40708 0.75
244 DQV 0.40708 0.763158
245 AMP DBH 0.405405 0.753247
246 AF3 ADP 3PG 0.405172 0.75
247 TXE 0.405172 0.725
248 OMR 0.405172 0.743902
249 MTP 0.404762 0.72973
250 N0B 0.401575 0.777778
251 V3L 0.4 0.773333
252 YLY 0.4 0.768293
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F8F; 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: 1) in the query (biounit: 5f8f.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5F8F; 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: 5f8f.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5F8F; 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: 5f8f.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5F8F; 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: 5f8f.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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