Receptor
PDB id Resolution Class Description Source Keywords
1G51 2.4 Å EC: 6.1.1.12 ASPARTYL TRNA SYNTHETASE FROM THERMUS THERMOPHILUS AT 2.4 A THERMUS THERMOPHILUS AMINOACYL TRNA SYNTHETASE LIGASE
Ref.: SYNTHESIS AND RECOGNITION OF ASPARTYL-ADENYLATE BY THERMOPHILUS ASPARTYL-TRNA SYNTHETASE. J.MOL.BIOL. V. 244 158 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMO A:831;
B:1831;
Valid;
Valid;
none;
none;
submit data
462.309 C14 H19 N6 O10 P c1nc(...
AMP B:800;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
SO4 A:1901;
B:901;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7AP4 2.15 Å EC: 6.1.1.12 THERMUS THERMOPHILUS ASPARTYL-TRNA SYNTHETASE IN COMPLEX WIT ASPS7HMDDA THERMUS THERMOPHILUS (STRAIN HB8 / ATCDSM 579) PROTEIN-INHIBITOR COMPLEX TRNA AMINOACYLATION LIGASE
Ref.: SYNTHESIS AND BIOLOGICAL EVALUATION OF 1,3-DIDEAZAPURINE-LIKE 7-AMINO-5-HYDROXYMETHYL-BENZ RIBONUCLEOSIDE ANALOGUES AS AMINOACYL-TRNA SYNTHETA INHIBITORS. MOLECULES V. 25 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 7AP4 - RSN C17 H23 N5 O10 S c1c(cc2c(c....
2 1G51 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 6SJC - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 7AP4 - RSN C17 H23 N5 O10 S c1c(cc2c(c....
2 1G51 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 6SJC - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 7AP4 - RSN C17 H23 N5 O10 S c1c(cc2c(c....
2 1G51 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 6SJC - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AMO; Similar ligands found: 363
No: Ligand ECFP6 Tc MDL keys Tc
1 AMO 1 1
2 SRP 0.833333 0.972973
3 NB8 0.820225 0.960526
4 5AL 0.788235 0.945946
5 LAD 0.769231 0.923077
6 ME8 0.76087 0.9
7 8LH 0.75 0.921053
8 KG4 0.75 0.959459
9 8QN 0.744444 0.945946
10 CA0 0.738095 0.959459
11 FA5 0.736842 0.972973
12 4AD 0.736264 0.986486
13 PAJ 0.717391 0.898734
14 8LQ 0.714286 0.946667
15 A2D 0.698795 0.932432
16 QA7 0.695652 0.909091
17 8LE 0.688889 0.909091
18 PTJ 0.6875 0.886076
19 YLP 0.686275 0.878049
20 AN2 0.686047 0.92
21 BA3 0.682353 0.932432
22 WAQ 0.677083 0.922078
23 ADP 0.674419 0.932432
24 B4P 0.674419 0.932432
25 AP5 0.674419 0.932432
26 TYM 0.673077 0.972973
27 ACP 0.670455 0.933333
28 YLC 0.666667 0.9
29 AT4 0.666667 0.896104
30 YLB 0.666667 0.878049
31 AMP 0.662651 0.905405
32 A 0.662651 0.905405
33 ADX 0.659091 0.841463
34 M33 0.659091 0.92
35 AHX 0.65625 0.935065
36 DLL 0.65625 0.945946
37 TXA 0.653061 0.946667
38 OOB 0.652632 0.945946
39 ATP 0.651685 0.932432
40 HEJ 0.651685 0.932432
41 50T 0.651685 0.894737
42 YLA 0.648148 0.878049
43 5FA 0.644444 0.932432
44 PRX 0.644444 0.858974
45 AQP 0.644444 0.932432
46 AR6 0.644444 0.958904
47 APR 0.644444 0.958904
48 AP2 0.643678 0.921053
49 A12 0.643678 0.921053
50 PR8 0.642857 0.911392
51 AYB 0.642202 0.86747
52 ANP 0.641304 0.907895
53 45A 0.639535 0.881579
54 ABM 0.639535 0.881579
55 00A 0.639175 0.897436
56 AD9 0.637363 0.907895
57 AGS 0.637363 0.884615
58 AMP MG 0.635294 0.891892
59 V2G 0.634409 0.910256
60 3UK 0.632653 0.933333
61 XAH 0.627451 0.876543
62 B5V 0.626263 0.921053
63 ACQ 0.623656 0.933333
64 AU1 0.622222 0.907895
65 1ZZ 0.62 0.853659
66 SRA 0.616279 0.858974
67 A1R 0.612245 0.922078
68 SON 0.611111 0.946667
69 ATF 0.610526 0.896104
70 7MD 0.609524 0.924051
71 DAL AMP 0.608247 0.92
72 9SN 0.607843 0.886076
73 GAP 0.606383 0.907895
74 6YZ 0.604167 0.933333
75 3OD 0.60396 0.959459
76 YLY 0.603448 0.86747
77 9ZA 0.602041 0.897436
78 9ZD 0.602041 0.897436
79 B5Y 0.601942 0.909091
80 B5M 0.601942 0.909091
81 OAD 0.6 0.959459
82 HQG 0.597938 0.945946
83 DSZ 0.59596 0.857143
84 ADP BEF 0.593407 0.905405
85 ADP MG 0.593407 0.905405
86 A22 0.591837 0.92
87 APC 0.591398 0.921053
88 4UV 0.590476 0.909091
89 JNT 0.59 0.933333
90 T99 0.589474 0.896104
91 TAT 0.589474 0.896104
92 N0B 0.588235 0.878049
93 FYA 0.588235 0.92
94 5SV 0.585859 0.817073
95 OZV 0.585859 0.932432
96 25A 0.585859 0.906667
97 RBY 0.585106 0.946667
98 ADV 0.585106 0.946667
99 9X8 0.584158 0.909091
100 A3R 0.58 0.922078
101 ADQ 0.58 0.933333
102 4UU 0.579439 0.909091
103 LAQ 0.568807 0.853659
104 APC MG 0.568421 0.881579
105 ADP PO3 0.568421 0.905405
106 ATP MG 0.568421 0.905405
107 IOT 0.566372 0.86747
108 48N 0.563636 0.935065
109 BEF ADP 0.5625 0.881579
110 ANP MG 0.561224 0.894737
111 MAP 0.56 0.884615
112 4UW 0.558559 0.875
113 BIS 0.557692 0.873418
114 25L 0.552381 0.92
115 F2R 0.551724 0.901235
116 80F 0.550847 0.901235
117 LMS 0.550562 0.797619
118 ALF ADP 0.545455 0.8375
119 VO4 ADP 0.545455 0.883117
120 DQV 0.545455 0.945946
121 NAI 0.544643 0.897436
122 DND 0.544643 0.946667
123 TXD 0.544643 0.897436
124 KMQ 0.542056 0.921053
125 G3A 0.541284 0.886076
126 SSA 0.54 0.835294
127 TXE 0.539823 0.897436
128 MYR AMP 0.537736 0.831325
129 GA7 0.536364 0.896104
130 G5P 0.536364 0.886076
131 AFH 0.536364 0.898734
132 ARG AMP 0.536364 0.865854
133 7MC 0.535088 0.901235
134 L3W 0.535088 0.921053
135 GSU 0.533333 0.835294
136 5X8 0.53125 0.826667
137 NAX 0.530973 0.911392
138 6V0 0.530973 0.886076
139 G5A 0.530612 0.813953
140 A5A 0.53 0.8
141 TSB 0.529412 0.811765
142 BT5 0.529412 0.86747
143 5CA 0.529412 0.835294
144 OMR 0.526316 0.865854
145 AP0 0.521739 0.8625
146 AOC 0.521739 0.789474
147 EEM 0.52 0.746988
148 52H 0.519608 0.772727
149 54H 0.519608 0.781609
150 VMS 0.519608 0.781609
151 LSS 0.519231 0.795455
152 RAB 0.518072 0.810811
153 XYA 0.518072 0.810811
154 ADN 0.518072 0.810811
155 TAD 0.517857 0.898734
156 GTA 0.517857 0.853659
157 5CD 0.517647 0.773333
158 5AS 0.515789 0.752809
159 SFG 0.515464 0.813333
160 53H 0.514563 0.772727
161 JB6 0.514019 0.873418
162 M24 0.512195 0.864198
163 2A5 0.510204 0.883117
164 ADP BMA 0.509434 0.907895
165 COD 0.508333 0.847059
166 D4F 0.508065 0.876543
167 5N5 0.505882 0.786667
168 PAP 0.50505 0.918919
169 SA8 0.50505 0.765432
170 NSS 0.504762 0.835294
171 J4G 0.504673 0.96
172 KAA 0.504673 0.786517
173 AMP DBH 0.504505 0.883117
174 UP5 0.504348 0.909091
175 CNA 0.504202 0.946667
176 7D5 0.5 0.820513
177 ATP A A A 0.5 0.893333
178 AHZ 0.5 0.831325
179 2SA 0.5 0.972973
180 ALF ADP 3PG 0.5 0.875
181 AF3 ADP 3PG 0.5 0.875
182 SAI 0.5 0.794872
183 A4D 0.5 0.786667
184 SAH 0.5 0.805195
185 ATP A 0.5 0.893333
186 NAD 0.495868 0.92
187 ADJ 0.495798 0.865854
188 T5A 0.495798 0.878049
189 UPA 0.495726 0.897436
190 4TC 0.495726 0.910256
191 LPA AMP 0.495652 0.831325
192 YSA 0.495495 0.813953
193 LEU LMS 0.495327 0.784091
194 SMM 0.495146 0.741176
195 S7M 0.495146 0.746988
196 7D3 0.494737 0.846154
197 DTA 0.494382 0.75641
198 A4P 0.491525 0.835294
199 PPS 0.490196 0.819277
200 ATR 0.49 0.905405
201 7D4 0.489796 0.846154
202 A3P 0.489583 0.905405
203 A3D 0.487805 0.907895
204 8PZ 0.486486 0.835294
205 NVA LMS 0.485981 0.786517
206 8X1 0.485714 0.786517
207 H1Q 0.484848 0.868421
208 BTX 0.483607 0.855422
209 139 0.483333 0.8875
210 EP4 0.483146 0.725
211 SAM 0.480392 0.746988
212 NAQ 0.480315 0.8625
213 6RE 0.478723 0.753086
214 3DH 0.478261 0.74359
215 M2T 0.477778 0.707317
216 P5A 0.477064 0.777778
217 A2R 0.47619 0.945946
218 ITT 0.474747 0.88
219 A2P 0.474227 0.891892
220 3AM 0.473118 0.866667
221 9K8 0.472727 0.728261
222 MTA 0.472527 0.74359
223 NAE 0.472441 0.884615
224 NAD IBO 0.470588 0.906667
225 NAD TDB 0.470588 0.906667
226 AR6 AR6 0.469565 0.906667
227 EAD 0.469231 0.8875
228 J7C 0.46875 0.7625
229 DZD 0.467742 0.898734
230 NWW 0.465909 0.753425
231 ZID 0.465116 0.907895
232 A3S 0.464646 0.851351
233 6MZ 0.463918 0.868421
234 0UM 0.462963 0.756098
235 WSA 0.462185 0.823529
236 6AD 0.461538 0.851852
237 NAJ PZO 0.460317 0.839506
238 AMP NAD 0.459677 0.92
239 62X 0.458716 0.72093
240 ARU 0.458716 0.807229
241 NAJ PYZ 0.457364 0.8
242 O02 0.456311 0.886076
243 JSQ 0.456311 0.884615
244 HFD 0.456311 0.884615
245 NDE 0.455224 0.896104
246 P1H 0.455224 0.865854
247 K15 0.454545 0.738095
248 GEK 0.453704 0.797468
249 A3N 0.453608 0.75641
250 IMO 0.453608 0.866667
251 ZAS 0.452632 0.759494
252 V3L 0.451923 0.932432
253 GJV 0.44898 0.743902
254 S4M 0.44898 0.681818
255 NO7 0.448598 0.871795
256 FB0 0.448529 0.818182
257 NDC 0.448529 0.8625
258 0WD 0.448 0.886076
259 2AM 0.446809 0.88
260 8Q2 0.446281 0.806818
261 KOY 0.445378 0.818182
262 MAO 0.444444 0.77381
263 B1U 0.443478 0.731183
264 A3G 0.443299 0.84
265 DSH 0.443299 0.740741
266 KB1 0.442478 0.756098
267 FDA 0.442029 0.825581
268 NA7 0.441441 0.921053
269 A3T 0.441176 0.813333
270 CUU 0.441176 0.932432
271 4YB 0.440678 0.816092
272 FNK 0.440559 0.818182
273 V47 0.439252 0.8
274 6IA 0.438095 0.829268
275 3AT 0.438095 0.932432
276 C2R 0.43617 0.893333
277 7C5 0.435897 0.810127
278 A7D 0.435644 0.769231
279 K3K 0.434783 0.772152
280 SXZ 0.433628 0.768293
281 OZP 0.433333 0.7875
282 OVE 0.43299 0.846154
283 A5D 0.432692 0.75641
284 38V 0.431818 0.876543
285 KYE 0.431034 0.75
286 AV2 0.429907 0.857143
287 KXW 0.428571 0.765432
288 NEC 0.428571 0.74026
289 6C6 0.428571 0.871795
290 6FA 0.428571 0.855422
291 NJP 0.428571 0.909091
292 K3E 0.42735 0.7625
293 AVV 0.427273 0.886076
294 QXP 0.427273 0.758621
295 DAT 0.427184 0.894737
296 NIA 0.427083 0.771084
297 5AD 0.425287 0.716216
298 4TA 0.425197 0.843373
299 HZ2 0.425 0.790123
300 3NZ 0.424779 0.820513
301 DTP 0.424528 0.894737
302 NDP 0.424 0.886076
303 Q34 0.422764 0.729412
304 SFD 0.422535 0.747368
305 FAS 0.422535 0.865854
306 FAD 0.422535 0.865854
307 Y3J 0.422222 0.697368
308 AMZ 0.421053 0.88
309 K2R 0.421053 0.894737
310 NZQ 0.420635 0.898734
311 TXP 0.420635 0.886076
312 AAT 0.420561 0.722892
313 7D7 0.420455 0.714286
314 LQJ 0.418803 0.881579
315 GGZ 0.418182 0.795181
316 D3Y 0.418182 0.828947
317 EU9 0.418033 0.738636
318 HY8 0.418033 0.790123
319 MHZ 0.417476 0.712644
320 PGS 0.417476 0.82716
321 ODP 0.417323 0.875
322 P5F 0.417219 0.837209
323 NWQ 0.416667 0.733333
324 KH3 0.416667 0.729412
325 OK8 0.416667 0.92
326 QXG 0.415929 0.75
327 PO4 PO4 A A A A PO4 0.415929 0.866667
328 71V 0.415842 0.85
329 V1N 0.415254 0.906667
330 VRT 0.415094 0.807692
331 RFL 0.414966 0.835294
332 SCO 0.414815 0.858824
333 CMX 0.414815 0.858824
334 649 0.414634 0.777778
335 6K6 0.414414 0.868421
336 N5O 0.414141 0.802632
337 Q2P 0.414062 0.729412
338 2VA 0.413462 0.792208
339 NPW 0.412698 0.9
340 R2V 0.412281 0.758621
341 ETB 0.412214 0.847059
342 DCA 0.412214 0.837209
343 F0P 0.41129 0.7875
344 Q2M 0.41129 0.746988
345 62F 0.410959 0.853659
346 FAY 0.408163 0.876543
347 7DD 0.407767 0.918919
348 COA 0.406015 0.837209
349 0T1 0.406015 0.837209
350 N5A 0.405941 0.776316
351 NVA 2AD 0.40566 0.797468
352 HGG 0.405594 0.83908
353 SLU 0.40458 0.764045
354 A6D 0.403509 0.697674
355 N37 0.403226 0.794872
356 F2N 0.402597 0.827586
357 SO8 0.401869 0.782051
358 S8M 0.401786 0.775
359 Q2V 0.401575 0.756098
360 FCX 0.40146 0.829545
361 CMC 0.4 0.83908
362 D5M 0.4 0.868421
363 DA 0.4 0.868421
Ligand no: 2; Ligand: AMP; Similar ligands found: 456
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 45A 0.833333 0.943662
4 ABM 0.833333 0.943662
5 A2D 0.833333 0.943662
6 AMP MG 0.830769 0.956522
7 ADP 0.823529 0.971429
8 BA3 0.808824 0.943662
9 AP2 0.808824 0.931507
10 A12 0.808824 0.931507
11 SRA 0.80303 0.944444
12 AP5 0.797101 0.943662
13 B4P 0.797101 0.943662
14 HEJ 0.788732 0.971429
15 ATP 0.788732 0.971429
16 AN2 0.785714 0.957747
17 AT4 0.785714 0.931507
18 APC 0.777778 0.931507
19 5FA 0.777778 0.971429
20 AQP 0.777778 0.971429
21 AU1 0.774648 0.944444
22 CA0 0.774648 0.917808
23 ADX 0.774648 0.848101
24 M33 0.774648 0.930556
25 KG4 0.763889 0.917808
26 ACP 0.763889 0.944444
27 50T 0.763889 0.957747
28 ADP BEF 0.760563 0.942857
29 ADP MG 0.760563 0.942857
30 25A 0.75641 0.971429
31 APR 0.753425 0.943662
32 AR6 0.753425 0.943662
33 PRX 0.753425 0.917808
34 TAT 0.746667 0.931507
35 T99 0.746667 0.931507
36 ACQ 0.746667 0.944444
37 AGS 0.743243 0.918919
38 RBY 0.743243 0.905405
39 ADV 0.743243 0.905405
40 AD9 0.743243 0.944444
41 ANP 0.723684 0.944444
42 APC MG 0.72 0.916667
43 ATP MG 0.72 0.942857
44 ADP PO3 0.72 0.942857
45 6YZ 0.717949 0.944444
46 5AL 0.714286 0.930556
47 V2G 0.714286 0.894737
48 8LE 0.714286 0.893333
49 SON 0.712329 0.931507
50 BEF ADP 0.710526 0.916667
51 LMS 0.710145 0.825
52 ADN 0.709677 0.842857
53 RAB 0.709677 0.842857
54 XYA 0.709677 0.842857
55 HQG 0.708861 0.957747
56 ATF 0.705128 0.931507
57 GAP 0.701299 0.891892
58 A22 0.7 0.957747
59 8LH 0.696203 0.905405
60 SRP 0.696203 0.905405
61 7D5 0.691176 0.902778
62 A2P 0.684932 0.956522
63 A3P 0.684932 0.971014
64 ALF ADP 0.683544 0.868421
65 ANP MG 0.683544 0.930556
66 VO4 ADP 0.683544 0.944444
67 ADQ 0.682927 0.917808
68 MAP 0.679012 0.918919
69 QA7 0.679012 0.893333
70 8LQ 0.679012 0.905405
71 5SV 0.670732 0.87013
72 OZV 0.670732 0.943662
73 9ZA 0.670732 0.906667
74 9ZD 0.670732 0.906667
75 OOB 0.670732 0.930556
76 8QN 0.670732 0.930556
77 PTJ 0.670588 0.894737
78 AOC 0.666667 0.84507
79 A1R 0.662651 0.881579
80 A3R 0.662651 0.881579
81 AMO 0.662651 0.905405
82 PAJ 0.662651 0.858974
83 4AD 0.662651 0.893333
84 5N5 0.661538 0.816901
85 DAL AMP 0.658537 0.90411
86 IMO 0.657534 0.928571
87 DLL 0.654762 0.930556
88 00A 0.654762 0.881579
89 AHX 0.654762 0.87013
90 JNT 0.654762 0.917808
91 5AS 0.653333 0.776471
92 A4D 0.651515 0.816901
93 5CD 0.651515 0.828571
94 6MZ 0.648649 0.957143
95 ADP BMA 0.647059 0.891892
96 3UK 0.647059 0.917808
97 OAD 0.647059 0.917808
98 9X8 0.647059 0.893333
99 25L 0.643678 0.957747
100 PR8 0.639535 0.848101
101 WAQ 0.639535 0.881579
102 LAD 0.639535 0.858974
103 B5V 0.639535 0.905405
104 DTA 0.637681 0.808219
105 V3L 0.6375 0.971429
106 3DH 0.633803 0.794521
107 3OD 0.632184 0.917808
108 FYA 0.632184 0.930556
109 BIS 0.632184 0.906667
110 TXA 0.632184 0.905405
111 1ZZ 0.632184 0.8375
112 ME8 0.632184 0.8375
113 NB8 0.632184 0.87013
114 MTA 0.628571 0.794521
115 3AM 0.625 0.956522
116 EP4 0.623188 0.773333
117 9SN 0.617977 0.87013
118 M2T 0.614286 0.753247
119 JB6 0.613636 0.881579
120 KMQ 0.611111 0.905405
121 FA5 0.611111 0.905405
122 B5Y 0.611111 0.893333
123 B5M 0.611111 0.893333
124 H1Q 0.607595 0.929577
125 MYR AMP 0.606742 0.814815
126 G5A 0.604938 0.776471
127 XAH 0.604396 0.8375
128 4UV 0.597826 0.893333
129 71V 0.597403 0.906667
130 ATP A 0.593407 0.929577
131 ATP A A A 0.593407 0.929577
132 PAP 0.592593 0.957143
133 G3A 0.591398 0.894737
134 2AM 0.589041 0.942857
135 5X8 0.5875 0.783784
136 6RE 0.586667 0.779221
137 6C6 0.585366 0.905405
138 G5P 0.585106 0.894737
139 AFH 0.585106 0.858974
140 4UU 0.585106 0.893333
141 GA7 0.585106 0.905405
142 7D3 0.584416 0.878378
143 A5A 0.583333 0.804878
144 TSB 0.581395 0.795181
145 AMP DBH 0.580645 0.891892
146 2A5 0.580247 0.891892
147 TAD 0.578947 0.858974
148 GTA 0.578947 0.860759
149 DQV 0.578947 0.930556
150 DSH 0.578947 0.74359
151 6IA 0.578313 0.858974
152 SSA 0.576471 0.776471
153 AMZ 0.575342 0.888889
154 C2R 0.575342 0.876712
155 7D4 0.575 0.878378
156 PGS 0.575 0.857143
157 ZAS 0.573333 0.786667
158 ATR 0.573171 0.942857
159 LAQ 0.572917 0.8375
160 AAM 0.571429 1
161 PPS 0.571429 0.848101
162 A3N 0.571429 0.783784
163 J7C 0.571429 0.789474
164 AIR 0.571429 0.927536
165 52H 0.569767 0.776471
166 54H 0.569767 0.785714
167 VMS 0.569767 0.785714
168 7MD 0.568421 0.8375
169 ARG AMP 0.568421 0.82716
170 AR6 AR6 0.568421 0.916667
171 YLP 0.56701 0.817073
172 48N 0.56701 0.87013
173 OVE 0.565789 0.90411
174 UPA 0.565657 0.881579
175 2SA 0.564706 0.905405
176 S4M 0.564103 0.682353
177 5CA 0.563218 0.776471
178 53H 0.563218 0.776471
179 8X1 0.563218 0.75
180 6V0 0.561224 0.87013
181 NAX 0.561224 0.848101
182 4UW 0.561224 0.858974
183 TXD 0.561224 0.881579
184 UP5 0.561224 0.893333
185 NAI 0.561224 0.881579
186 DND 0.561224 0.905405
187 NIA 0.56 0.820513
188 D5M 0.558442 0.902778
189 DA 0.558442 0.902778
190 NWW 0.557143 0.757143
191 MAO 0.556962 0.777778
192 AHZ 0.556701 0.814815
193 TXE 0.555556 0.881579
194 TYM 0.555556 0.905405
195 ITT 0.555556 0.915493
196 OMR 0.555556 0.82716
197 5AD 0.552239 0.768116
198 A2R 0.551724 0.957747
199 LPA AMP 0.55102 0.814815
200 DSZ 0.550562 0.776471
201 NSS 0.550562 0.776471
202 LSS 0.550562 0.758621
203 YLC 0.55 0.8375
204 L3W 0.55 0.905405
205 YLB 0.55 0.817073
206 AP0 0.55 0.87013
207 4TC 0.55 0.87013
208 P5A 0.549451 0.741573
209 J4G 0.549451 0.918919
210 139 0.54902 0.848101
211 O02 0.547619 0.894737
212 A4P 0.544554 0.819277
213 NVA LMS 0.544444 0.75
214 GJV 0.544304 0.769231
215 7D7 0.544118 0.763889
216 9K8 0.543478 0.711111
217 A7D 0.54321 0.797297
218 AF3 ADP 3PG 0.54 0.835443
219 ALF ADP 3PG 0.54 0.835443
220 6K6 0.539326 0.957143
221 IOT 0.539216 0.829268
222 LEU LMS 0.538462 0.747126
223 A3G 0.538462 0.797297
224 A5D 0.535714 0.808219
225 NAD IBO 0.534653 0.916667
226 7MC 0.534653 0.817073
227 NAD TDB 0.534653 0.916667
228 YLA 0.533981 0.817073
229 T5A 0.533981 0.817073
230 ADJ 0.533981 0.82716
231 GSU 0.532609 0.776471
232 KAA 0.532609 0.75
233 7RA 0.531646 0.985507
234 SFG 0.53012 0.77027
235 SAH 0.529412 0.763158
236 HFD 0.529412 0.918919
237 JSQ 0.529412 0.918919
238 AYB 0.528846 0.807229
239 CNA 0.528846 0.905405
240 N6P 0.527473 0.942029
241 8BR 0.525 0.931507
242 F2R 0.52381 0.839506
243 80F 0.523364 0.817073
244 Y3J 0.521127 0.746479
245 YSA 0.520833 0.776471
246 7RP 0.518987 0.955882
247 NAD 0.518868 0.930556
248 BTX 0.518868 0.839506
249 COD 0.518868 0.788235
250 MHZ 0.518072 0.714286
251 SA8 0.517647 0.725
252 6AD 0.517241 0.883117
253 BT5 0.514019 0.829268
254 DZD 0.514019 0.858974
255 RMB 0.5125 0.898551
256 CUU 0.511905 0.943662
257 SAI 0.511628 0.753247
258 AV2 0.511364 0.890411
259 K2R 0.510638 0.878378
260 8PZ 0.510417 0.776471
261 K3K 0.510417 0.8
262 A3D 0.509259 0.917808
263 A3S 0.506024 0.808219
264 3AT 0.505747 0.943662
265 SAM 0.505747 0.707317
266 SMM 0.505618 0.702381
267 NA7 0.505376 0.931507
268 B1U 0.505155 0.733333
269 AMP NAD 0.504673 0.90411
270 4TA 0.504673 0.804878
271 5GP 0.5 0.905405
272 EEM 0.5 0.707317
273 NEC 0.5 0.743243
274 NO7 0.5 0.905405
275 G 0.5 0.905405
276 AAT 0.5 0.725
277 YLY 0.495495 0.807229
278 M24 0.495495 0.848101
279 7C5 0.494949 0.815789
280 A3T 0.494118 0.819444
281 DAT 0.494118 0.878378
282 FAI 0.493827 0.888889
283 P2P 0.493827 0.928571
284 1RB 0.493671 0.911765
285 NAE 0.491071 0.893333
286 D4F 0.491071 0.8375
287 NAJ PZO 0.490909 0.846154
288 KOY 0.490196 0.8
289 LQJ 0.489796 0.916667
290 TM1 0.489583 0.771084
291 PO4 PO4 A A A A PO4 0.489362 0.901408
292 A6D 0.489362 0.740741
293 QXP 0.48913 0.761905
294 V47 0.488889 0.780822
295 S7M 0.488889 0.707317
296 DTP 0.488636 0.878378
297 RBZ 0.4875 0.873239
298 101 0.4875 0.902778
299 NWQ 0.487179 0.736111
300 EAD 0.486957 0.848101
301 NAQ 0.486726 0.87013
302 4YB 0.485149 0.758621
303 K3E 0.484848 0.789474
304 NDE 0.483051 0.931507
305 38V 0.482456 0.860759
306 N0B 0.482456 0.817073
307 ZID 0.482456 0.917808
308 N5O 0.481481 0.76
309 WSA 0.480769 0.785714
310 KL2 0.480519 0.861111
311 RGT 0.479592 0.931507
312 ARU 0.478723 0.835443
313 GGZ 0.478261 0.8
314 JLN 0.47561 0.863014
315 ANZ 0.475248 0.820513
316 QQY 0.475 0.837838
317 ACK 0.475 0.885714
318 QXG 0.473684 0.752941
319 NAJ PYZ 0.473684 0.804878
320 S8M 0.473118 0.779221
321 AVV 0.473118 0.87013
322 GEK 0.473118 0.734177
323 3AD 0.472973 0.828571
324 P1H 0.470588 0.82716
325 N5A 0.46988 0.733333
326 R2V 0.46875 0.761905
327 0UM 0.468085 0.716049
328 RVP 0.467532 0.847222
329 649 0.466667 0.741573
330 Z5A 0.465517 0.776471
331 PMO 0.464286 0.873239
332 O05 0.463918 0.819277
333 SXZ 0.463918 0.707317
334 62X 0.463158 0.682353
335 K2H 0.463158 0.753247
336 QQX 0.4625 0.826667
337 KY2 0.462366 0.75
338 8Q2 0.462264 0.75
339 OK8 0.461538 0.853333
340 K2W 0.46 0.7375
341 2VA 0.45977 0.797297
342 IMP 0.458824 0.90411
343 CC5 0.458333 0.84058
344 K15 0.458333 0.698795
345 AS 0.457831 0.855263
346 DDS 0.455556 0.851351
347 V1N 0.455446 0.943662
348 NJP 0.454545 0.918919
349 K38 0.454545 0.776316
350 K2K 0.453608 0.734177
351 7DD 0.453488 0.957143
352 G7M 0.453488 0.87013
353 93A 0.453488 0.804878
354 3D1 0.453333 0.77027
355 3L1 0.453333 0.77027
356 KYB 0.452632 0.75
357 EO7 0.452381 0.785714
358 NDC 0.45082 0.87013
359 FB0 0.45082 0.781609
360 DZ4 0.450549 0.855263
361 0WD 0.45045 0.894737
362 NVA 2AD 0.449438 0.75641
363 26A 0.447368 0.76
364 2FA 0.447368 0.810811
365 2BA 0.447059 0.914286
366 CMP 0.447059 0.927536
367 D3Y 0.446809 0.786667
368 K3H 0.445545 0.746835
369 VRT 0.444444 0.766234
370 APU 0.444444 0.893333
371 KB1 0.444444 0.716049
372 KY5 0.444444 0.74359
373 SO8 0.444444 0.786667
374 FDA 0.443548 0.809524
375 PUA 0.443478 0.858974
376 ODP 0.441441 0.883117
377 6FA 0.44 0.817073
378 NX8 0.43956 0.7125
379 RP1 0.439024 0.864865
380 SP1 0.439024 0.864865
381 103 0.439024 0.861111
382 3NZ 0.438776 0.779221
383 KY8 0.438776 0.746835
384 7DT 0.438202 0.957143
385 NDP 0.436364 0.894737
386 NPW 0.436364 0.860759
387 MTP 0.434211 0.727273
388 FAD 0.433071 0.82716
389 SFD 0.433071 0.712766
390 FAS 0.433071 0.82716
391 TXP 0.432432 0.894737
392 IRN 0.432432 0.867647
393 NZQ 0.432432 0.883117
394 ZZB 0.432432 0.792683
395 KYE 0.431373 0.731707
396 62F 0.430769 0.8375
397 FNK 0.430769 0.781609
398 128 0.429907 0.752941
399 9BG 0.428571 0.87013
400 KXW 0.428571 0.725
401 6MD 0.428571 0.805556
402 PAX 0.428571 0.82716
403 1DA 0.428571 0.842857
404 SLU 0.426087 0.767442
405 PLP AAD 0.426087 0.75
406 XNP 0.424779 0.848101
407 HZ2 0.424528 0.728395
408 12D 0.424528 0.761905
409 5F1 0.423077 0.72973
410 DCA 0.422414 0.8
411 ETB 0.422414 0.809524
412 NWZ 0.422222 0.7
413 F0P 0.422018 0.725
414 ERJ 0.421687 0.777778
415 WMP 0.421053 0.864865
416 GUO 0.421053 0.864865
417 OZP 0.420561 0.725
418 U4Y 0.420561 0.734177
419 HY8 0.416667 0.728395
420 FAY 0.416667 0.8375
421 38Y 0.415929 0.804878
422 5J9 0.415842 0.728395
423 NAD BBN 0.415385 0.817073
424 COA 0.415254 0.8
425 0T1 0.415254 0.8
426 KH3 0.415094 0.690476
427 N01 0.413793 0.90411
428 FMP 0.413793 0.871429
429 RFL 0.413534 0.797619
430 NMN AMP PO4 0.412281 0.868421
431 NAD CJ3 0.409091 0.788235
432 Q34 0.409091 0.690476
433 Q2M 0.409091 0.707317
434 GDP 0.408602 0.893333
435 GP2 0.408602 0.858974
436 NAP 0.408333 0.944444
437 NOC 0.407895 0.760563
438 CNV FAD 0.407407 0.770115
439 2ER 0.405941 0.831169
440 1PR 0.405941 0.820513
441 P5F 0.405797 0.8
442 CAO 0.404959 0.772727
443 30N 0.404959 0.731183
444 TAP 0.404959 0.906667
445 COS 0.404959 0.781609
446 AMX 0.404959 0.809524
447 EU9 0.40367 0.681818
448 XMP 0.402299 0.891892
449 G2P 0.402062 0.858974
450 NA0 0.401639 0.931507
451 CMX 0.401639 0.8
452 SCO 0.401639 0.8
453 9JJ 0.40146 0.8375
454 Q2P 0.4 0.690476
455 N37 0.4 0.730769
456 F2N 0.4 0.790698
Similar Ligands (3D)
Ligand no: 1; Ligand: AMO; Similar ligands found: 11
No: Ligand Similarity coefficient
1 RSN 0.9379
2 GTP 0.9072
3 GNP 0.8940
4 GCP 0.8830
5 GSP 0.8780
6 GDP ALF 0.8739
7 GDP BEF 0.8707
8 BEF GDP 0.8686
9 ALF GDP 0.8685
10 DBG 0.8618
11 ADP ALF 0.8539
Ligand no: 2; Ligand: AMP; Similar ligands found: 216
No: Ligand Similarity coefficient
1 IRP 0.9883
2 DI 0.9755
3 8OP 0.9715
4 IMU 0.9698
5 TKW 0.9696
6 MZP 0.9690
7 PFU 0.9673
8 5FU 0.9664
9 DG 0.9620
10 6MA 0.9618
11 6CG 0.9613
12 U5P 0.9607
13 DGP 0.9601
14 PSU 0.9555
15 C5P 0.9513
16 FDM 0.9499
17 TMP 0.9498
18 5BU 0.9493
19 QBT 0.9492
20 FNU 0.9488
21 8GM 0.9484
22 UFP 0.9484
23 NYM 0.9477
24 5HM 0.9472
25 6OG 0.9471
26 5CM 0.9461
27 16B 0.9451
28 FN5 0.9442
29 NCN 0.9424
30 C 0.9418
31 9L3 0.9417
32 Z8B 0.9410
33 UP6 0.9400
34 NMN 0.9397
35 H2U 0.9395
36 ICR 0.9389
37 BMP 0.9380
38 UMP 0.9373
39 U 0.9368
40 BRU 0.9365
41 CH 0.9364
42 BMQ 0.9360
43 MTH 0.9360
44 8OG 0.9356
45 MTM 0.9347
46 CNU 0.9342
47 MTI 0.9342
48 6SW 0.9342
49 D4M 0.9334
50 2DT 0.9334
51 UMC 0.9304
52 CAR 0.9298
53 5IU 0.9287
54 5HU 0.9283
55 O7E 0.9281
56 DCM 0.9270
57 KB7 0.9270
58 DU 0.9269
59 DC 0.9269
60 NUP 0.9238
61 7CH 0.9219
62 DDN 0.9211
63 MCF 0.9205
64 PCG 0.9201
65 O8M 0.9197
66 DUS 0.9192
67 U6M 0.9180
68 S5P 0.9167
69 DOC 0.9149
70 3F5 0.9146
71 6SX 0.9133
72 U4S 0.9101
73 35G 0.9100
74 N8M 0.9089
75 6CN 0.9083
76 CDP 0.9080
77 T3S 0.9079
78 U1S 0.9071
79 MTE 0.9067
80 U2S 0.9058
81 DBM 0.9053
82 BVP 0.9052
83 4X2 0.9040
84 ATM 0.9025
85 SB8 0.9022
86 INR 0.9008
87 UA2 0.9007
88 A8M 0.9006
89 IMH 0.9006
90 TAL 0.8998
91 SSI 0.8986
92 U3S 0.8983
93 1B6 0.8972
94 3Q1 0.8972
95 TBN 0.8968
96 NOS 0.8966
97 IXF 0.8952
98 AD3 0.8932
99 1BJ 0.8932
100 SU1 0.8927
101 43J 0.8924
102 6SY 0.8920
103 9ZS 0.8918
104 IDP 0.8918
105 6SZ 0.8915
106 JW5 0.8914
107 OMP 0.8905
108 CC7 0.8903
109 T7O 0.8893
110 6AU 0.8887
111 PRH 0.8871
112 HPR 0.8871
113 2GE 0.8871
114 3Q2 0.8869
115 FMC 0.8862
116 ARJ 0.8861
117 9DI 0.8859
118 GNH 0.8855
119 3Q0 0.8849
120 GMP 0.8848
121 FMB 0.8845
122 4EZ 0.8839
123 K8W 0.8831
124 UM3 0.8830
125 MI1 0.8828
126 5ID 0.8815
127 NVV 0.8812
128 HDU 0.8812
129 43G 0.8808
130 UDP 0.8793
131 CFE 0.8793
132 FTU 0.8791
133 HMK 0.8787
134 5FD 0.8778
135 DN8 0.8777
136 72H 0.8776
137 7CU 0.8776
138 2OM 0.8774
139 CZV 0.8771
140 FSB 0.8768
141 HGH 0.8760
142 DOI 0.8756
143 3BH 0.8754
144 XYP TRS XYP 0.8748
145 FGN 0.8746
146 5NB 0.8741
147 LRT 0.8737
148 M7G 0.8735
149 NYZ 0.8731
150 3RA 0.8725
151 MSS 0.8719
152 TXS 0.8712
153 8OD 0.8710
154 S1Z 0.8709
155 4ZK 0.8706
156 L0F 0.8706
157 IYX 0.8702
158 GOW 0.8702
159 EKH 0.8698
160 CQU 0.8694
161 KFS 0.8692
162 0NL 0.8691
163 T3P 0.8690
164 F2B 0.8690
165 4K9 0.8689
166 PWH 0.8686
167 CL9 0.8686
168 GQE 0.8681
169 P1S 0.8676
170 SNI 0.8676
171 9ST 0.8674
172 GAR 0.8673
173 566 0.8671
174 DGI 0.8669
175 9ME 0.8666
176 RVA 0.8664
177 H4H 0.8662
178 SBW 0.8659
179 9W8 0.8653
180 2HW 0.8653
181 BSB 0.8653
182 GNG 0.8644
183 TDI 0.8643
184 MDR 0.8641
185 6HW 0.8634
186 460 0.8634
187 T61 0.8631
188 C1Y 0.8627
189 HLN 0.8624
190 43H 0.8621
191 TYD 0.8615
192 IXE 0.8613
193 66P 0.8609
194 I0D 0.8609
195 MG7 0.8608
196 MHR 0.8608
197 JY5 0.8606
198 4UB 0.8600
199 CC2 0.8599
200 JZJ 0.8598
201 F13 0.8595
202 PDB 0.8588
203 517 0.8585
204 BHF 0.8579
205 IWH 0.8576
206 XYS AZI XYS 0.8571
207 9X0 0.8566
208 KKE 0.8563
209 9RK 0.8559
210 VAL TRP 0.8553
211 4F0 0.8553
212 IYZ 0.8549
213 FKJ 0.8547
214 361 0.8538
215 E44 0.8526
216 E3Y 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 7AP4; Ligand: RSN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 7ap4.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3A5Y KAA 22.029
Pocket No.: 2; Query (leader) PDB : 7AP4; Ligand: RSN; 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: 7ap4.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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