-->
Receptor
PDB id Resolution Class Description Source Keywords
5FVJ 1.7 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TACT (TRNA ACETYLATING TOXIN) FROM SALM SALMONELLA ENTERICA SUBSP. ENTERICA SE TYPHIMURIUM TRANSFERASE ACETYLTRANSFERASE
Ref.: A SALMONELLA TOXIN PROMOTES PERSISTER FORMATION THR ACETYLATION OF TRNA. MOL.CELL V. 63 86 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1161;
B:1162;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FVJ 1.7 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TACT (TRNA ACETYLATING TOXIN) FROM SALM SALMONELLA ENTERICA SUBSP. ENTERICA SE TYPHIMURIUM TRANSFERASE ACETYLTRANSFERASE
Ref.: A SALMONELLA TOXIN PROMOTES PERSISTER FORMATION THR ACETYLATION OF TRNA. MOL.CELL V. 63 86 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 5FVJ - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 5FVJ - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5FVJ - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FVJ; Ligand: ACO; Similar sites found with APoc: 304
This union binding pocket(no: 1) in the query (biounit: 5fvj.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4UA3 COA None
2 1QSM ACO None
3 6EDV COA None
4 2GWH PCI None
5 2OG2 MLI None
6 3B9Q MLI None
7 2WOR 2AN None
8 2CBZ ATP None
9 4K30 NLG None
10 1YRE COA None
11 3KPE TM3 None
12 2PZE ATP None
13 4WZ6 ATP None
14 1NU4 MLA None
15 5W8X UDP None
16 3KO0 TFP None
17 1ONI BEZ None
18 5NNT DPV None
19 4ZGM 32M None
20 4DS0 A2G GAL NAG FUC None
21 3EC1 GDP None
22 1XX6 ADP None
23 5U32 GDP None
24 1R0X ATP None
25 1M48 FRG None
26 3KP6 SAL None
27 5CHR 4NC None
28 2ZFZ ARG None
29 3KIF GDL None
30 6BR8 6OU 1.20482
31 6BR9 6OU 1.20482
32 4AG9 COA 1.21212
33 4AG9 16G 1.21212
34 1WS1 BB2 1.28205
35 1ZHS NAG NAG BMA MAN MAN 1.76991
36 6BA2 7KM 1.80723
37 3O01 DXC 1.80723
38 1JJ7 ADP 1.80723
39 5YW5 ADE 1.80723
40 5YV5 ADP 1.80723
41 1YQT ADP 1.80723
42 4NTO 1PW 1.80723
43 2VZZ SCA 2.40964
44 1RRC ADP 2.40964
45 1Z41 FMN 2.40964
46 1Z42 FMN 2.40964
47 4FRZ ADP 2.40964
48 1ZGS XMM 2.40964
49 1Z44 FMN 2.40964
50 1Z48 FMN 2.40964
51 5H4S RAM 2.40964
52 3PCJ INO 2.40964
53 1I1D COA 2.48447
54 1I1D 16G 2.48447
55 2GBB CIT 2.5641
56 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 2.85714
57 3BIY 01K 3.01205
58 5KTC FUH 3.01205
59 5KTC COA 3.01205
60 2DPY ADP 3.01205
61 5LKT BCO 3.01205
62 4V3I ASP LEU THR ARG PRO 3.01205
63 3NHB ADP 3.01205
64 4DE3 DN8 3.01205
65 5M37 9SZ 3.01205
66 5CK5 GDP 3.01205
67 1F9V ADP 3.01205
68 5WBF LAC 3.01205
69 4DDY DN6 3.01205
70 3ITA AIC 3.01205
71 1W55 GPP 3.01205
72 5X3R 7Y3 3.01205
73 1HK8 DGT 3.01205
74 5XK9 GST 3.01724
75 3LN9 FLC 3.59712
76 4NSQ COA 3.61446
77 1CM0 COA 3.61446
78 5K04 COA 3.61446
79 4RI1 ACO 3.61446
80 4H6U ACO 3.61446
81 3THR C2F 3.61446
82 1IYK MYA 3.61446
83 4R3L COA 3.61446
84 3GD8 GOL 3.61446
85 4R2I ANP 3.61446
86 5W8E SXZ 3.61446
87 5W8E ADE 3.61446
88 5V3Y 5V8 3.61446
89 3TK1 GDP 3.61446
90 2O1V ADP 3.61446
91 3DC4 ADP 3.61446
92 2ZX2 RAM 3.61446
93 1OXV ANP 3.61446
94 1VRP IOM 3.61446
95 3SP6 IL2 3.61446
96 2OBM ADP 3.61446
97 4OB6 S2T 3.61446
98 2YRX AMP 3.61446
99 4DR9 BB2 3.61446
100 4DD8 BAT 3.61446
101 5JOG 6LT 3.61446
102 5KUT GDP 3.7037
103 1JOC ITP 4
104 3SXN COA 4.21687
105 1M4I PAP 4.21687
106 1M4I KAN 4.21687
107 1M4I COA 4.21687
108 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.21687
109 5TSH ADP 4.21687
110 1G6H ADP 4.21687
111 3B6C SDN 4.21687
112 4ONT SIA GAL BGC 4.21687
113 3I6B KDO 4.21687
114 3FIU POP 4.21687
115 4AG5 ADP 4.21687
116 1LVG ADP 4.21687
117 3B5J 12D 4.21687
118 2R42 FPS 4.21687
119 5TSH ANP 4.21687
120 3RC3 ANP 4.21687
121 3BMQ AX5 4.21687
122 4CM4 4NR 4.21687
123 4IEE AGS 4.21687
124 1GXU 2HP 4.3956
125 4B5P ACO 4.81928
126 4QC6 30N 4.81928
127 5VLQ ANP 4.81928
128 1B0U ATP 4.81928
129 2GN2 C5P 4.81928
130 1JI0 ATP 4.81928
131 2BHW NEX 4.81928
132 4JZ8 CIT 4.81928
133 3A4M ADP 4.81928
134 3G5K BB2 4.81928
135 3P2H NOO 4.81928
136 4U9W COA 4.81928
137 6EOM ALA LYS 4.81928
138 4IHQ ADP 4.81928
139 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 4.91803
140 1BOB ACO 5.42169
141 2WSA MYA 5.42169
142 2WSA 646 5.42169
143 4URN NOV 5.42169
144 5OLK DTP 5.42169
145 2VVG ADP 5.42169
146 1ZED PNP 5.42169
147 1JJV ATP 5.42169
148 5C1M CLR 5.42169
149 6FS0 E4W 5.42169
150 2OWZ CIT 5.42169
151 4UBS DIF 5.42169
152 5MBC FMN 5.42169
153 2CHT TSA 5.51181
154 5V4R MGT 5.55556
155 4KVX ACO 5.76923
156 5N8V KZZ 5.7971
157 2VWA PTY 5.94059
158 3TO7 COA 6.0241
159 4C2X NHW 6.0241
160 5TVJ COA 6.0241
161 5TVJ 7LF 6.0241
162 2BCG GER 6.0241
163 3E70 GDP 6.0241
164 3R96 AMP 6.0241
165 3R96 ACO 6.0241
166 3LTW HLZ 6.0241
167 1T5C ADP 6.0241
168 5OSW AE4 6.0241
169 6BMS POV 6.0241
170 4YDS ATP 6.0241
171 2ATJ BHO 6.0241
172 5OSW DIU 6.0241
173 1XVB BHL 6.0241
174 1SWG BTN 6.25
175 1WWZ ACO 6.28931
176 5GVR LMR 6.62651
177 5LX9 OLB 6.62651
178 2Q8G AZX 6.62651
179 6A20 ADP 6.62651
180 2NCD ADP 6.62651
181 4QM7 GTP 6.62651
182 5ZXD ATP 6.62651
183 4CJX 9L9 6.62651
184 4A59 AMP 6.62651
185 3TW1 AHN 6.62651
186 3PN1 IVH 6.62651
187 2HT6 GDP 6.62651
188 3H4S ADP 6.66667
189 1DTL BEP 6.8323
190 5H86 BCO 7.22892
191 2ZPA ACO 7.22892
192 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.22892
193 1KUV CA5 7.22892
194 5N26 CPT 7.22892
195 4Q0A 4OA 7.22892
196 3ZIA ADP 7.22892
197 1TUU AMP 7.22892
198 4KFU ACP 7.22892
199 5A4W QCT 7.22892
200 3Q72 GNP 7.22892
201 2V7Q ADP 7.22892
202 3DBX PLM 7.22892
203 3N7S 3N7 7.29167
204 1QSR ACO 7.40741
205 1Q2D COA 7.40741
206 1QSN COA 7.40741
207 1Q2C COA 7.40741
208 2CNT COA 7.5
209 2IL4 COA 7.76699
210 2WPW ACO 7.83133
211 2WPX ACO 7.83133
212 5MU6 MYA 7.83133
213 5MU6 KFK 7.83133
214 3CZ7 ACO 7.83133
215 1TV5 N8E 7.83133
216 6EXF LYS 7.83133
217 2CXG GLC GLC 7.83133
218 5EY0 GTP 7.83133
219 2Y65 ADP 7.83133
220 2CJW GDP 7.83133
221 5XDR ADP 7.83133
222 2XHK AKG 7.83133
223 5HX1 UMP 7.97101
224 4I67 G G G RPC 8.04598
225 1N71 COA 8.43373
226 2YNE YNE 8.43373
227 2YNE NHW 8.43373
228 2YNC YNC 8.43373
229 1NF8 BOG 8.43373
230 3W5J GDP 8.43373
231 4RJK PYR 8.43373
232 4YMU ATP 8.43373
233 2WDA L42 8.43373
234 5TCI MLI 8.43373
235 2CDN ADP 8.45771
236 2VBQ BSJ 8.48485
237 5NM7 GLY 9.03614
238 2WHX ADP 9.03614
239 1GHE ACO 9.63855
240 1V0C KNC 9.63855
241 1V0C ACO 9.63855
242 3N75 G4P 9.63855
243 3COB ADP 9.63855
244 1IID NHM 9.63855
245 3KC1 2T6 9.63855
246 3W54 RNB 9.63855
247 3UWB BB2 9.74026
248 4CRZ ACO 10.219
249 1S7N COA 10.241
250 2AWN ADP 10.241
251 4LOC OXM 10.241
252 2KIN ADP 10.241
253 5EE7 5MV 10.241
254 4JLS 3ZE 10.5263
255 4OGQ 7PH 10.8434
256 4U00 ADP 10.8434
257 2D2F ADP 10.8434
258 4PX9 ADP 10.8434
259 4JE7 BB2 11.1675
260 5XXS COA 11.3636
261 3LXI CAM 11.4458
262 5I8F ML1 11.5152
263 5W7B MYR 12.0567
264 3SQP 3J8 12.6506
265 1G27 BB1 12.6506
266 5IM3 DTP 13.253
267 5XQL C2E 13.253
268 5KD8 TNR 13.253
269 4OIV XX9 13.253
270 2B4B COA 14.4578
271 3LRE ADP 14.4578
272 5M8T 0TR 14.4578
273 5JPH COA 14.5833
274 4NB5 2JT 14.6199
275 3TE4 ACO 15.0602
276 2JEV NHQ 15.0602
277 5U83 ZN8 15.0602
278 5MTE BB2 15.3285
279 4UWJ MYA 15.6627
280 4UWJ 7L5 15.6627
281 3D2M COA 16.2651
282 2B4D COA 16.2651
283 2HHP FLC 16.2651
284 2Y69 CHD 16.2651
285 5YGE ACO 16.8675
286 5YGE GLU 16.8675
287 4YJK URA 16.8675
288 3TY3 GGG 16.8675
289 2Q4V ACO 18.6747
290 2IYL GDP 18.6747
291 5HGZ ACO 19.2771
292 5HH0 COA 19.2771
293 5Z84 CHD 19.5652
294 5ZCO CHD 19.5652
295 5W97 CHD 19.5652
296 5GK9 ACO 20
297 4CVN ADP 21.1679
298 3TDC 0EU 21.6867
299 5LS7 ACO 23.5294
300 2ZFN ACO 24.0964
301 2W58 ADP 33.1325
302 4PPF FLC 37.9518
303 4PSW COA 39.4737
304 5M36 9SZ 39.4737
Pocket No.: 2; Query (leader) PDB : 5FVJ; Ligand: ACO; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 5fvj.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 1XX4 BAM None
3 5FII PHE None
4 2C3H GLC GLC None
5 5O74 GDP 2.22222
6 4LSJ LSJ 2.40964
7 5FPN KYD 2.40964
8 4WOH 4NP 2.40964
9 4E03 ADP 2.40964
10 2VNO GAL GAL FUC 2.40964
11 4RW3 TDA 3.01205
12 3EYK EYK 3.01205
13 1IZC PYR 3.01205
14 1RVX NAG 3.61446
15 5XJ7 87O 3.61446
16 1XP8 AGS 3.61446
17 2XT3 ADP 4.21687
18 3KDU NKS 4.21687
19 5LB3 ADP 4.81928
20 2BHW XAT 4.81928
21 5H67 ATP 5
22 2WR1 NAG 6.0241
23 1RQH PYR 6.0241
24 3QDK QDK 6.0241
25 1V8K ANP 6.0241
26 1XVB BHL BHL 6.0241
27 4KBB BGC GAL SIA NGA GAL SIA 6.62651
28 1E4I NFG 6.62651
29 5ZI9 FLC 6.92308
30 4WGF HX2 7.22892
31 1U1J C2F 7.22892
32 3MD0 GDP 7.22892
33 3P9T TCL 7.22892
34 5E5U MLI 7.83133
35 1GNI OLA 7.83133
36 1PVC ILE SER GLU VAL 8.43373
37 2GDJ ANP 9.03614
38 3RV5 DXC 10.1124
39 1SJD NPG 10.8434
40 3NB0 G6P 11.4458
41 1GOJ ADP 12.6506
42 5K8P 6R8 14.4578
43 1N8V BDD 16.9643
44 2ZR9 DTP 37.9518
APoc FAQ
Feedback