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Receptor
PDB id Resolution Class Description Source Keywords
1GHE 1.55 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF TABTOXIN RESISTANCE PROTEIN COMPLEXED W ACYL COENZYME A PSEUDOMONAS SYRINGAE PV. TABACI ACYL COENZYME A COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF TABTOXIN RESISTANCE PROTEIN CO WITH ACETYL COENZYME A REVEALS THE MECHANISM FOR BE ACETYLATION J.MOL.BIOL. V. 325 1019 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:301;
B:302;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GHE 1.55 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF TABTOXIN RESISTANCE PROTEIN COMPLEXED W ACYL COENZYME A PSEUDOMONAS SYRINGAE PV. TABACI ACYL COENZYME A COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF TABTOXIN RESISTANCE PROTEIN CO WITH ACETYL COENZYME A REVEALS THE MECHANISM FOR BE ACETYLATION J.MOL.BIOL. V. 325 1019 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 1GHE - 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 30 families.
1 1GHE - 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 29 families.
1 1GHE - 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 : 1GHE; Ligand: ACO; Similar sites found with APoc: 349
This union binding pocket(no: 1) in the query (biounit: 1ghe.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 1TIQ COA None
3 1GXU 2HP None
4 1YRE COA None
5 3R96 ACO None
6 3R96 AMP None
7 4QC6 30N None
8 2W58 ADP None
9 1G6H ADP None
10 4O4Z N2O None
11 4XPL ACO None
12 3KPE TM3 None
13 4RYV ZEA None
14 4ZGM 32M None
15 1MID LAP None
16 1LVG ADP None
17 5KTC COA None
18 5KTC FUH None
19 1U9L ASN ARG PRO ILE LEU SER LEU None
20 5Y02 HBX None
21 5NNT DPV None
22 2HT6 GDP None
23 4OAS 2SW None
24 4WG0 CHD None
25 1G16 GDP None
26 3IIJ ADP None
27 4NB5 2JT None
28 3KO0 TFP None
29 2ZFZ ARG None
30 5F90 GLA GAL None
31 5OFW 9TW None
32 2VWA PTY None
33 2CJW GDP None
34 4YV5 SVR None
35 5XG5 A2G None
36 3KP6 SAL None
37 6BR8 6OU 1.12994
38 2DPY ADP 1.12994
39 3KJI ADP 1.12994
40 1Z0A GDP 1.14943
41 4XCP PLM 1.17647
42 3Q72 GNP 1.20482
43 3ZLR X0B 1.26582
44 5URY PAM 1.36986
45 4RI1 ACO 1.69492
46 4C2X NHW 1.69492
47 1V0C KNC 1.69492
48 1V0C ACO 1.69492
49 5MU6 KFK 1.69492
50 5MU6 MYA 1.69492
51 4R2I ANP 1.69492
52 4KFU ACP 1.69492
53 1LPD ADE 1.69492
54 6H8S FSZ 1.69492
55 3EWA ANP 1.69492
56 4WQ2 3SU 1.7341
57 1HBK COA 2.24719
58 1HBK MYR 2.24719
59 5KF9 ACO 2.25989
60 2WSA MYA 2.25989
61 2WSA 646 2.25989
62 3SXN COA 2.25989
63 2BHW NEX 2.25989
64 5KF9 COA 2.25989
65 5KF9 NAG 2.25989
66 4L77 CNL 2.25989
67 3DC4 ADP 2.25989
68 1XX6 ADP 2.25989
69 4YMU ATP 2.25989
70 4YDS ATP 2.25989
71 6CGN DA 2.25989
72 2YVE MBT 2.25989
73 6CB2 OLC 2.25989
74 1JJV ATP 2.25989
75 2IYL GDP 2.25989
76 1Y63 ADP 2.25989
77 2YLD CMO 2.3622
78 2VZZ SCA 2.82486
79 2FT0 ACO 2.82486
80 5XXS COA 2.82486
81 2XT3 ADP 2.82486
82 4WZ6 ATP 2.82486
83 6GSG RCO 2.82486
84 3W5J GDP 2.82486
85 2NCD ADP 2.82486
86 3EC1 GDP 2.82486
87 2WHX ADP 2.82486
88 5CK5 GDP 2.82486
89 5E5U MLI 2.82486
90 5W8E ADE 2.82486
91 4DO1 ANN 2.82486
92 5W8E SXZ 2.82486
93 1R0X ATP 2.82486
94 2XAU ADP 2.82486
95 2V57 PRL 2.82486
96 3PQC GDP 2.82486
97 5ZA2 NXL 2.82486
98 2PRG BRL 2.82486
99 4BIX ADP 2.82486
100 5OSW AE4 2.82486
101 5OSW DIU 2.82486
102 3R9V DXC 2.82486
103 2D5X L35 2.83688
104 4K30 NLG 3.125
105 1KUV CA5 3.38983
106 1BOB ACO 3.38983
107 2BCG GER 3.38983
108 5YV5 ADP 3.38983
109 1NF8 BOG 3.38983
110 1IYK MYA 3.38983
111 1YQT ADP 3.38983
112 1JI0 ATP 3.38983
113 5ZXD ATP 3.38983
114 3B5J 12D 3.38983
115 5EY0 GTP 3.38983
116 5NTP 98E 3.38983
117 2OFW ADX 3.38983
118 2GKS ADP 3.38983
119 2ZFI ADP 3.38983
120 3WR7 COA 3.52941
121 1CJW COT 3.61446
122 5CHR 4NC 3.64964
123 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 3.80952
124 4XU6 TDA 3.80952
125 2B99 RDL 3.84615
126 4B5P ACO 3.9548
127 4U00 ADP 3.9548
128 3EYK EYK 3.9548
129 5IM3 DTP 3.9548
130 2JC9 ADN 3.9548
131 1R6N 434 3.9548
132 4DE3 DN8 3.9548
133 1B0U ATP 3.9548
134 1T5C ADP 3.9548
135 5C1M OLC 3.9548
136 3ETG GTP 3.9548
137 5IXK 6EW 3.9548
138 1O5O U5P 3.9548
139 4PX9 ADP 3.9548
140 5C1M CLR 3.9548
141 4DE2 DN3 3.9548
142 5OM2 DXT 3.9548
143 1N4K I3P 3.9548
144 5EE7 5MV 3.9548
145 1YOK P6L 3.9548
146 1WDK N8E 3.9548
147 2VK2 GZL 4.24837
148 3F8K COA 4.375
149 1N71 COA 4.51977
150 5N26 CPT 4.51977
151 2D2F ADP 4.51977
152 5GVR LMR 4.51977
153 5OLK DTP 4.51977
154 5TSH ADP 4.51977
155 2HHP FLC 4.51977
156 1J78 OLA 4.51977
157 2X7I CIT 4.51977
158 1BG2 ADP 4.51977
159 1VG1 GDP 4.51977
160 3G08 FEE 4.51977
161 3QUZ QUV 4.51977
162 6BMS POV 4.51977
163 5FS0 5JC 4.51977
164 2ZKJ ADP 4.51977
165 3BFV ADP 4.51977
166 4V03 ADP 4.51977
167 6G96 ACO 4.54545
168 4BQS ADP 4.54545
169 6FS0 E4W 4.58716
170 4QM7 GTP 4.67836
171 1BO4 COA 4.7619
172 3LN9 FLC 5.03597
173 5TVJ COA 5.08475
174 5TVJ 7LF 5.08475
175 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.08475
176 3TE4 ACO 5.08475
177 5W7B MYR 5.08475
178 3O01 DXC 5.08475
179 2CBZ ATP 5.08475
180 3LRE ADP 5.08475
181 2ZFN ACO 5.08475
182 1ZED PNP 5.08475
183 4MRP GSH 5.08475
184 3H4S ADP 5.08475
185 3COB ADP 5.08475
186 4FRZ ADP 5.08475
187 3CZ7 ACO 5.08475
188 2OBM ADP 5.08475
189 4CVN ADP 5.08475
190 1ZPD CIT 5.08475
191 4LOC OXM 5.08475
192 3SCM LGN 5.08475
193 3UIE ANP 5.08475
194 6FAA ADP 5.08475
195 5EW9 5VC 5.08475
196 4KVX ACO 5.12821
197 2GBB CIT 5.12821
198 6C0B PAM 5.12821
199 1XZ3 ICF 5.17241
200 1MT1 AG2 5.30973
201 2GWH PCI 5.64972
202 4UWJ MYA 5.64972
203 4UWJ 7L5 5.64972
204 2OG2 MLI 5.64972
205 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 5.64972
206 3B9Q MLI 5.64972
207 1RRC ADP 5.64972
208 3E70 GDP 5.64972
209 1GOJ ADP 5.64972
210 3SJK LYS PRO VAL LEU ARG THR ALA 5.64972
211 5AZC PGT 5.64972
212 3L9R L9R 5.64972
213 3L9R L9Q 5.64972
214 1DMH LIO 5.64972
215 4V1F BQ1 5.81395
216 5WL1 CUY 6.06061
217 5WL1 D3D 6.06061
218 3D2M COA 6.21469
219 4AVB ACO 6.21469
220 4H6U ACO 6.21469
221 2ZW5 COA 6.21469
222 3TK1 GDP 6.21469
223 3GD8 GOL 6.21469
224 3A4M ADP 6.21469
225 5U32 GDP 6.21469
226 1OXV ANP 6.21469
227 4OAR 2S0 6.21469
228 4O08 PO6 6.21469
229 3HYW DCQ 6.21469
230 1YRB GDP 6.21469
231 4LC1 GDP 6.21469
232 5ZI9 FLC 6.21469
233 1M2Z BOG 6.77966
234 2O1V ADP 6.77966
235 4JX1 CAH 6.77966
236 2EFE GNH 6.77966
237 5M8T 0TR 6.77966
238 2WOR 2AN 7
239 1QSM ACO 7.23684
240 3N7S 3N7 7.29167
241 3TDC 0EU 7.34463
242 4AG5 ADP 7.34463
243 3LN0 52B 7.34463
244 3W54 RNB 7.34463
245 5KUT GDP 7.34463
246 1VG0 GDP 7.34463
247 1KSK URA 7.34463
248 5V4R MGT 7.40741
249 5UGW GSH 7.42857
250 2IL4 COA 7.76699
251 3TO7 COA 7.9096
252 3NHB ADP 7.9096
253 4V3I ASP LEU THR ARG PRO 7.9096
254 3KC1 2T6 7.9096
255 2OWZ CIT 7.9096
256 4X8D AVI 7.9096
257 1JA9 PYQ 7.9096
258 2PZE ATP 8.47458
259 5LX9 OLB 8.47458
260 4IHQ ADP 8.47458
261 3SP6 IL2 8.47458
262 2IS6 ADP 8.47458
263 5YEE LAB 8.47458
264 5MWE TCE 8.57143
265 1N8V BDD 8.92857
266 1P0H COA 9.03955
267 1P0H ACO 9.03955
268 6BA2 7KM 9.03955
269 3AQT RCO 9.03955
270 3ZIA ADP 9.03955
271 4TV1 36M 9.03955
272 5V3Y 5V8 9.03955
273 1I4D GDP 9.03955
274 2BJ4 OHT 9.03955
275 5AAV GW5 9.03955
276 2BES RES 9.30233
277 4LWU 20U 9.41177
278 1JJ7 ADP 9.60452
279 1TV5 N8E 9.60452
280 5OKL PAM 9.60452
281 1T36 ORN 9.60452
282 5FVJ ACO 9.63855
283 5YGE ACO 9.77011
284 5YGE GLU 9.77011
285 2B4B COA 9.94152
286 2B4D COA 9.94152
287 3ZJ0 ACO 10.1695
288 4WGF HX2 10.1695
289 1XVB 3BR 10.1695
290 5DNU KKN 10.1695
291 5C9J DAO 10.1695
292 3F8C HT1 10.3175
293 5N17 8FK 10.8696
294 2Q4V ACO 11.1765
295 5GK9 ACO 11.2994
296 1IID NHM 11.2994
297 5XDR ADP 11.2994
298 2JEV NHQ 11.4943
299 4F4S EFO 11.8421
300 2VCN ISZ 11.8644
301 5OCA 9QZ 11.9048
302 2AWN ADP 12.4294
303 3SQP 3J8 12.9944
304 1DTL BEP 13.0435
305 4PPF FLC 13.5593
306 4IA6 EIC 13.5593
307 1TMX HGX 13.5593
308 5FJJ MAN 14.1243
309 3B6C SDN 14.1243
310 3RC3 ANP 14.1243
311 5O74 GDP 14.1243
312 1WWZ ACO 14.4654
313 2GN2 C5P 14.6893
314 5K04 COA 14.7059
315 2YNE YNE 15.2542
316 2YNE NHW 15.2542
317 2YNC YNC 15.2542
318 5CX6 CDP 15.2542
319 3K9U ACO 15.7233
320 4PSW COA 15.7895
321 5HGZ ACO 16.3842
322 5HH0 COA 16.3842
323 4R57 ACO 16.4773
324 4NSQ COA 16.9492
325 4I67 G G G RPC 17.2414
326 5LTJ ADP 17.5141
327 1CM0 COA 17.8571
328 5H86 BCO 17.8571
329 4OGQ 7PH 18.0791
330 4OGQ SQD 18.0791
331 5H4S RAM 18.0791
332 2GDJ ANP 18.0791
333 2JDC CAO 19.863
334 2VBQ BSJ 20
335 2Y69 CHD 20.6186
336 4URN NOV 21.4689
337 4AG9 16G 21.8182
338 4AG9 COA 21.8182
339 2CNT COA 21.875
340 3RV5 DXC 22.4719
341 5W97 CHD 23.5294
342 5ZCO CHD 23.5294
343 5Z84 CHD 23.5294
344 1PUA COA 23.9264
345 4KOT CE3 28.3951
346 4CRZ ACO 28.4672
347 5LS7 ACO 28.4672
348 1I1D 16G 29.1925
349 1I1D COA 29.1925
Pocket No.: 2; Query (leader) PDB : 1GHE; Ligand: ACO; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 1ghe.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 1ZEI CRS None
3 5F90 LMR None
4 2YFB SIN 1.69492
5 1F9V ADP 2.25989
6 1U0J ADP 2.25989
7 1XP8 AGS 2.82486
8 1MRH FMC 3.38983
9 4Q0A 4OA 3.38983
10 4ARE FLC 3.9548
11 2XRH NIO 4
12 4YSX E23 4.51977
13 5TSH ANP 4.51977
14 3LXI CAM 5.08475
15 3UVD MB3 5.64516
16 1RE0 GDP 6.70732
17 4RFM 3P6 6.77966
18 2V7Q ADP 7.9096
19 2ZR9 DTP 7.9096
20 5BRP PNG 7.9096
21 3KDU NKS 8.47458
22 5YW5 ADE 8.47458
23 3WW2 SF9 8.47458
24 3QDK QDK 10.7345
25 3RMK BML 10.7345
26 1Z42 FMN 11.2994
27 1Z41 FMN 11.2994
28 5KOD IAC 13.5593
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