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Receptor
PDB id Resolution Class Description Source Keywords
6E1Q 2.15 Å EC: 6.3.2.- ATGH3.15 ACYL ACID AMIDO SYNTHETASE IN COMPLEX WITH 2,4-DB ARABIDOPSIS THALIANA HORMONE MODIFICATION ADENYLATING ENZYME ACYL ACID-AMIDO SYADENYLATION LIGASE PLANT PROTEIN
Ref.: MODIFICATION OF AUXINIC PHENOXYALKANOIC ACID HERBIC THE ACYL ACID AMIDO SYNTHETASE GH3.15 FROM ARABIDOP J. BIOL. CHEM. V. 293 17731 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CFA A:602;
A:603;
Valid;
Valid;
none;
none;
submit data
221.037 C8 H6 Cl2 O3 c1cc(...
PO4 A:601;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E1Q 2.15 Å EC: 6.3.2.- ATGH3.15 ACYL ACID AMIDO SYNTHETASE IN COMPLEX WITH 2,4-DB ARABIDOPSIS THALIANA HORMONE MODIFICATION ADENYLATING ENZYME ACYL ACID-AMIDO SYADENYLATION LIGASE PLANT PROTEIN
Ref.: MODIFICATION OF AUXINIC PHENOXYALKANOIC ACID HERBIC THE ACYL ACID AMIDO SYNTHETASE GH3.15 FROM ARABIDOP J. BIOL. CHEM. V. 293 17731 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
2 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
3 5KOD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
5 4EQL - SAL C7 H6 O3 c1ccc(c(c1....
6 4EPM - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 4EQ4 - SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CFA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CFA 1 1
2 F52 0.488889 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6E1Q; Ligand: CFA; Similar sites found with APoc: 17
This union binding pocket(no: 1) in the query (biounit: 6e1q.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z87 5GP 0.952381
2 4WZ8 3W7 1.17647
3 5IXH OTP 3.10559
4 5FKS BGC BGC XYS BGC GAL XYS BGC XYS GAL 3.52941
5 1LBF 137 4.45344
6 3NRR D16 4.66019
7 3NRR UMP 4.66019
8 1EWF PC1 4.82456
9 5EQY 5RA 6.23441
10 3KFC 61X 6.71937
11 5WP4 SAH 7.33198
12 3QP8 HL0 8.15217
13 5IXK 6EW 9.64912
14 3QP4 HL0 13.7363
15 5IXG OTP 14.7929
16 1EP2 FMN 16.3987
17 1EP2 ORO 16.3987
Pocket No.: 2; Query (leader) PDB : 6E1Q; Ligand: CFA; Similar sites found with APoc: 416
This union binding pocket(no: 2) in the query (biounit: 6e1q.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5NCF 8T5 None
2 4Z87 GDP 0.952381
3 3HAZ NAD 1.0084
4 1GPM AMP 1.14286
5 5KF6 NAD 1.17647
6 3C5E ATP 1.22807
7 4FAJ LEU VAL THR LEU VAL PHE VAL 1.24113
8 5EY9 5SV 1.34454
9 3T34 GDP 1.38889
10 4FFG 0U8 1.42276
11 2GKS ADP 1.4652
12 1V25 ANP 1.47874
13 4OYA 1VE 1.48936
14 4BJ8 BTN 1.5873
15 2GVJ DGB 1.62933
16 1JQN DCO 1.68067
17 4NMC FAD 1.68067
18 4NMC 2OP 1.68067
19 4HWT 1B2 1.69492
20 5TUK FAD 1.71569
21 5LRT ADP 1.77165
22 3KDN CAP 1.8018
23 1D6H COA 1.80879
24 3HXU A5A 1.81406
25 3IES M24 1.81488
26 2OJW ADP 1.82292
27 1T7Q COA 1.84874
28 1T7Q 152 1.84874
29 5ETJ IM5 1.85185
30 5K4W NAI 1.86916
31 5A3T MMK 1.8711
32 2IU8 PLM 1.87166
33 3Q60 ATP 1.88679
34 5Y77 FAD 1.90275
35 5XDT MB3 1.94805
36 5MZI FYK 1.95228
37 5MZI FAD 1.95228
38 2C78 PUL 1.97531
39 4L9I 8PR 1.98413
40 2D1S SLU 2.0073
41 2PV7 NAD 2.01342
42 1NHX FTB 2.01681
43 1NHX PEP 2.01681
44 2R09 4IP 2.01729
45 3ZXR IQ1 2.05761
46 3ZXR P3S 2.05761
47 5DJT FMN 2.06897
48 4GCZ FMN 2.07792
49 3DJF BC3 2.09059
50 3IAL PR8 2.12355
51 4NS3 NAD 2.13144
52 4LH0 GLV 2.13144
53 1JIL 485 2.14286
54 4RD0 GDP 2.16867
55 1X8X TYR 2.17391
56 4AFH L0B 2.17391
57 6G0X RAM GLC GLA NAG NDG NAG 2.18487
58 5IUW IAC 2.21328
59 5IUW NAD 2.21328
60 4TWP AXI 2.21402
61 2RKV ZBA 2.21729
62 3UDZ ADP 2.23124
63 5EXW 7DT 2.25
64 6GW4 CHO 2.28013
65 1R6T TYM 2.30608
66 4J7H TLO 2.33546
67 5N81 8Q2 2.34192
68 4M73 SAH 2.37389
69 4M73 M72 2.37389
70 2GMH UQ5 2.39726
71 3RFA SAM 2.47525
72 6HTO MET 2.5
73 6HTO 5AD 2.5
74 4WCX MET 2.5
75 1R6U TYM 2.51716
76 4C4A SAH 2.52101
77 5L2R MLA 2.52101
78 5V59 8X1 2.52632
79 2J3M PRI 2.62238
80 2J3M ATP 2.62238
81 4P5E N6P 2.63158
82 5C5H 4YB 2.64901
83 5GSN FAD 2.64901
84 3R96 ACO 2.65957
85 3R96 AMP 2.65957
86 3NZ1 3NY 2.68199
87 5AE2 FYC 2.68908
88 5AE2 FAD 2.68908
89 5MST FUM 2.68908
90 1VA6 P2S 2.7027
91 1VA6 ADP 2.7027
92 2IVD ACJ 2.71967
93 2VVT I24 2.75862
94 2RDE C2E 2.78884
95 4D57 ARG AMP 2.79232
96 3UYK 0CX 2.84238
97 2YNE YNE 2.86458
98 2YNE NHW 2.86458
99 1G51 AMO 2.93103
100 3CW9 01A 2.97619
101 3P2H NOO 2.98507
102 2XMY CDK 3.02013
103 3FPF TNA 3.02013
104 3FPF MTA 3.02013
105 4KBA 1QM 3.02115
106 5W4W 9WG 3.02115
107 5DN9 NAD 3.02198
108 2AMV BIN 3.02521
109 5J75 6GQ 3.0303
110 3G2Y GF4 3.04183
111 2QRK AMP 3.04569
112 3VZ3 SSN 3.06346
113 3KYG 5GP 5GP 3.0837
114 4B2Z P5S 3.125
115 4IX4 ADP 3.14286
116 2WQP WQP 3.15186
117 2Y4O DLL 3.16027
118 2ZMF CMP 3.1746
119 1LSH PLD 3.19328
120 5HM3 649 3.19328
121 3X0D SAH 3.19328
122 3LVW GSH 3.19328
123 2HHP FLC 3.20755
124 3MVH WFE 3.21637
125 5EJL C2E 3.22581
126 4A0M NAD 3.22581
127 4XDA ADP 3.23625
128 3OFK SAH 3.24074
129 6F3M NAD 3.26087
130 1U1I NAD 3.31633
131 1WUB OTP 3.37079
132 2ABS ACP 3.39426
133 5TUF FAD 3.42298
134 1MV8 GDX 3.44037
135 1IIU RTL 3.44828
136 6ALW BNV 3.47222
137 6ALW BMJ 3.47222
138 4WN5 MVC 3.47826
139 3P7N FMN 3.48837
140 5UCD NAP 3.50109
141 5IE3 OXD 3.50195
142 5IE3 AMP 3.50195
143 5KJW 53C 3.51288
144 1O6B ADP 3.5503
145 3T1A 5MA 3.5524
146 1JA9 NDP 3.64964
147 2AG4 LP3 3.65854
148 2AG4 OLA 3.65854
149 3AAQ ARU 3.68272
150 5BSR AMP 3.69004
151 5DEY 59T 3.7037
152 5O0B 9FE 3.7037
153 1NKI PPF 3.7037
154 3ACL 3F1 3.71622
155 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 3.7234
156 3WWX DIA 3.72493
157 1R37 NAD 3.7464
158 1LQA NDP 3.75723
159 2VL1 GLY GLY 3.79747
160 3WLE NAD 3.81232
161 4I9A NCN 3.81944
162 3UC5 ATP 3.82166
163 1E19 ADP 3.82166
164 4H6Q FAD 3.84615
165 4H6Q TFB 3.84615
166 3DLG GWE 3.86364
167 4YWV SSN 3.87097
168 1GV0 NAD 3.87097
169 2BP1 NDP 3.88889
170 5M42 FMN 3.94265
171 5LUN OGA 3.97727
172 3NKS ACJ 3.98323
173 2J5B TYE 4.02299
174 3NYQ AMP 4.03361
175 3NYQ MCA 4.03361
176 2AZ5 307 4.05405
177 3A5Y KAA 4.05797
178 6AP8 BNY 4.08922
179 1DL5 SAH 4.10095
180 1SSQ CYS 4.11985
181 4V3C C 4.12371
182 5U6C 7YS 4.12698
183 4AAW R84 4.13943
184 2C91 NAP 4.14201
185 3PE2 E1B 4.1543
186 4LUT DCS 4.15584
187 5OE4 3UK 4.1769
188 1O9J NAD 4.19162
189 3G6K POP 4.22078
190 3G6K FAD 4.22078
191 3H5N ATP 4.24929
192 4HZD COA 4.25532
193 2IHK CSF 4.26065
194 5KD6 6C7 4.29594
195 5KD6 LBU 4.29594
196 3E7W AMP 4.30528
197 4PZ2 NAD 4.30712
198 5XK9 DMA 4.31034
199 5XK9 GST 4.31034
200 4ZOH FAD 4.31655
201 3P3G 3P3 4.33333
202 3P3G UKW 4.33333
203 1ERB ETR 4.37158
204 1X54 4AD 4.37788
205 5U5G NAP 4.40678
206 3C2O NTM 4.42177
207 4L9Z COA 4.42478
208 4L9Z OXL 4.42478
209 5BVE 4VG 4.43213
210 3E9I XAH 4.46247
211 4ZLU 4PW 4.47427
212 5H2U 1N1 4.49438
213 4RYV ZEA 4.51613
214 6AYI C3G 4.52261
215 2RCU BUJ 4.53782
216 1MDC PLM 4.54545
217 4KXL 6C6 4.60526
218 4TW7 37K 4.6875
219 3A5Z KAA 4.71204
220 3FYS PLM 4.7619
221 2JLD AG1 4.7619
222 5ERR ADP 4.77327
223 2PID YSA 4.77528
224 5EW9 5VC 4.79705
225 4NV7 COA 4.80769
226 5ZFJ 9BF 4.84582
227 4OPC PGT 4.85651
228 4OPC FDA 4.85651
229 1TT8 PHB 4.87805
230 5H4J FKM 4.87805
231 3TWD GOB 4.95496
232 1RM6 FAD 4.96894
233 3SAO DBH 5
234 1PI5 SM2 5.02793
235 1XVV CCQ 5.04202
236 2GQS C2R 5.06329
237 6GWR FEW 5.07937
238 2WLG SOP 5.11628
239 4J75 TYM 5.13447
240 1GR0 NAD 5.17711
241 3T4L ZEA 5.18518
242 5NKB 8ZT 5.22876
243 3ND6 ATP 5.26316
244 1UYY BGC BGC 5.34351
245 1VP5 NAP 5.36913
246 4PJT 2YQ 5.40541
247 5N5U 7N8 5.41401
248 5N5U AMP 5.41401
249 1B7Y FYA 5.42857
250 5TCI 79V 5.43478
251 6FCX FAD 5.54622
252 5L2M 6ZY 5.58882
253 1Q11 TYE 5.64516
254 5D2H AKG 5.65371
255 1OPK P16 5.65657
256 5THZ SAH 5.67901
257 5THY SAH 5.67901
258 3E85 BSU 5.6962
259 1XDY MTE 5.7047
260 6C1S EFV 5.71429
261 4WHZ 3NL 5.71429
262 3KXW 1ZZ 5.76271
263 2PUL ACP 5.79345
264 1PVN MZP 5.85106
265 2J9D ADP 5.88235
266 2J9C ATP 5.88235
267 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 5.95238
268 4BVA T3 5.97015
269 2W5P CL8 6.04027
270 1JQ3 AAT 6.08108
271 4EES FMN 6.08696
272 4F7E 0SH 6.12245
273 3L9R L9R 6.12245
274 5DEQ ARA 6.14035
275 1W4R TTP 6.15385
276 2XGT NSS 6.2069
277 6EWZ APC 6.32911
278 6GFK SAH 6.3745
279 3E7O 35F 6.38889
280 3EAU NDP 6.42202
281 3EAU PDN 6.42202
282 2XG5 EC5 6.42202
283 2XG5 EC2 6.42202
284 4R38 RBF 6.42857
285 6D6L FY4 6.47059
286 4XV1 904 6.50685
287 3MAG SAH 6.51466
288 2Y6O 1N1 6.52921
289 1GQG DCD 6.57143
290 6DZN AE3 6.57277
291 5X8G S0N 6.59794
292 1YJQ NAP 6.60066
293 3H0L ADP 6.69456
294 3MCT SAH 6.73401
295 3TAY MN0 6.74847
296 2FB3 GTP 6.76471
297 5UKL SIX 6.78466
298 1IA9 ANP 6.78571
299 2PR5 FMN 6.81818
300 4CQE CQE 6.83453
301 2P1O IHP 6.875
302 2P1O NLA 6.875
303 6B5G NAD 6.89655
304 6B5G CQY 6.89655
305 5YJS SAL 6.92308
306 2Z6C FMN 6.97674
307 2O3Z AI7 7.01107
308 3T50 FMN 7.03125
309 1ZGD NAP 7.05128
310 1IDA 0PO 7.07071
311 2AZC 3TL 7.07071
312 3PP0 03Q 7.10059
313 2BR6 HSL 7.14286
314 3NRZ FAD 7.31707
315 3KYF 5GP 5GP 7.35931
316 5ML3 DL3 7.38255
317 6GG9 FMN 7.40741
318 5CJ3 52G 7.40741
319 4NAT ADP 7.5
320 4NAT 2W5 7.5
321 5FLJ QUE 7.52688
322 3NEM AMO 7.53425
323 2ZFZ ARG 7.59494
324 2I8T GDD 7.78443
325 2RHQ GAX 7.82313
326 1CLU DBG 7.83133
327 2HFN FMN 7.84314
328 43CA NPO 7.9646
329 4EHU ANP 7.97101
330 4IEN GDP 7.97546
331 5U3B 7TD 8.02676
332 6MPT C30 8.04196
333 4JTA NAP 8.10811
334 6G9I CXX 8.18182
335 5EYP LOC 8.28402
336 2ZRU FMN 8.42391
337 1N62 FAD 8.43373
338 2Z6D FMN 8.46154
339 5D48 L96 8.55263
340 1QY1 PRZ 8.62069
341 3EM0 CHD 8.69565
342 5SVV FMN 8.75912
343 2WKQ FMN 9.03614
344 5FUI APY 9.09091
345 2Y7G AAE 9.21986
346 5Y72 DST 9.25373
347 4IGQ THR M3L GLN 9.44444
348 5TVF CGQ 9.47368
349 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 9.47368
350 1DZK PRZ 9.55414
351 3EWP APR 9.60452
352 3IS2 FAD 9.74026
353 6FNU FAD 9.74026
354 6CZI 38E 9.82143
355 3L5R 47X 9.83607
356 4CS4 AXZ 9.85401
357 4CS4 ANP 9.85401
358 5Y4R C2E 9.86395
359 4WO4 JLS 10
360 4DQ2 BTX 10.061
361 3D72 FAD 10.0671
362 1GS5 NLG 10.0775
363 1GS5 ANP 10.0775
364 1N9L FMN 10.0917
365 5WL1 CUY 10.101
366 5WL1 D3D 10.101
367 3HUJ AGH 10.101
368 5U98 1KX 10.101
369 6C99 EQY 10.101
370 2V92 ATP 10.1911
371 5XLY C2E 10.3203
372 1I7M CG 10.4478
373 3LF0 ATP 10.5263
374 4O0L NDP 10.5455
375 1KZN CBN 10.7317
376 4NDO ATP 10.8696
377 6GBV FMN 10.9589
378 5DKK FMN 11.0345
379 2GJ5 VD3 11.1111
380 3O61 GDD 11.5183
381 1JXN MFU 11.5702
382 3TCT 3MI 11.811
383 1S4M LUM 11.9454
384 1SU2 ATP 11.9497
385 2V0U FMN 12.3288
386 4NG2 OHN 12.3894
387 4RT1 C2E 12.5
388 4K49 HFQ 12.5
389 4YBN FAD 12.5
390 5VC5 96M 12.8028
391 1Y7P RIP 13.0045
392 1EWJ BLM 13.4921
393 1EXB NDP 13.5922
394 12AS AMP 14.2424
395 5ALC TIQ 14.3519
396 1JIF CU BLM 14.7541
397 4ZTE 4RL 15.1659
398 5L83 ASP TRP GLU ILE VAL 15.1786
399 5LXT GTP 15.3846
400 3DZ6 M8E 16.4179
401 5EFW FMN 16.6667
402 4WUJ FMN 17.6871
403 1HXD BTN 18.0685
404 4O9S 2RY 18.6047
405 5O3Q CMP 19.1667
406 4HIA FMN 19.3182
407 1KGI T4A 19.685
408 1V3S ATP 19.8276
409 5AYT L6Y 20.1258
410 2VZZ SCA 22.0183
411 6GNO XDI 22.2222
412 2DXU BT5 22.9787
413 2GJ3 FAD 25
414 1X0P FAD 27.2727
415 3IWD M2T 30.6452
416 5DJU FMN 31.1475
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