Receptor
PDB id Resolution Class Description Source Keywords
3HXY 2.27 Å EC: 6.1.1.7 CRYSTAL STRUCTURE OF CATALYTIC FRAGMENT OF E. COLI ALARS IN WITH AMPPCP, ALA-AMP AND PCP ESCHERICHIA COLI AMINOACYL-TRNA SYNTHETASE LIGASE PROTEIN BIOSYNTHESIS NUCBINDING AMINO ACID-BINDING ATP-BINDING METAL-BINDING ZI
Ref.: PARADOX OF MISTRANSLATION OF SERINE FOR ALANINE CAU ALARS RECOGNITION DILEMMA. NATURE V. 462 808 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5AL A:442;
Valid;
none;
submit data
418.299 C13 H19 N6 O8 P C[C@@...
ACP A:444;
Valid;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
BME A:450;
Invalid;
none;
submit data
78.133 C2 H6 O S C(CS)...
HED A:449;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C(CSS...
MDN A:443;
Invalid;
none;
submit data
176.002 C H6 O6 P2 C(P(=...
MG A:445;
A:446;
A:447;
A:448;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HXU 2.1 Å EC: 6.1.1.7 CRYSTAL STRUCTURE OF CATALYTIC FRAGMENT OF E. COLI ALARS IN WITH ALASA ESCHERICHIA COLI AMINOACYL-TRNA SYNTHETASE LIGASE PROTEIN BIOSYNTHESIS NUCBINDING AMINO ACID-BINDING ATP-BINDING METAL-BINDING ZI
Ref.: PARADOX OF MISTRANSLATION OF SERINE FOR ALANINE CAU ALARS RECOGNITION DILEMMA. NATURE V. 462 808 2009
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HXX - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 3HXU - A5A C13 H19 N7 O7 S C[C@@H](C(....
3 3HXW - SSA C13 H19 N7 O8 S c1nc(c2c(n....
4 3HXZ - A5A C13 H19 N7 O7 S C[C@@H](C(....
5 3HXV - G5A C12 H17 N7 O7 S c1nc(c2c(n....
6 3HXY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
7 3HY0 - G5A C12 H17 N7 O7 S c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HXX - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 3HXU - A5A C13 H19 N7 O7 S C[C@@H](C(....
3 3HXW - SSA C13 H19 N7 O8 S c1nc(c2c(n....
4 3HXZ - A5A C13 H19 N7 O7 S C[C@@H](C(....
5 3HXV - G5A C12 H17 N7 O7 S c1nc(c2c(n....
6 3HXY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
7 3HY0 - G5A C12 H17 N7 O7 S c1nc(c2c(n....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3HXX - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 3HXU - A5A C13 H19 N7 O7 S C[C@@H](C(....
3 3HXW - SSA C13 H19 N7 O8 S c1nc(c2c(n....
4 3HXZ - A5A C13 H19 N7 O7 S C[C@@H](C(....
5 3HXV - G5A C12 H17 N7 O7 S c1nc(c2c(n....
6 3HXY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
7 3HY0 - G5A C12 H17 N7 O7 S c1nc(c2c(n....
8 5V59 - 8X1 C14 H19 N7 O7 S c1nc(c2c(n....
9 1YFS - ALA C3 H7 N O2 C[C@@H](C(....
10 1YGB - SER C3 H7 N O3 C([C@@H](C....
11 1YFT - GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5AL; Similar ligands found: 390
No: Ligand ECFP6 Tc MDL keys Tc
1 5AL 1 1
2 8LH 0.873418 0.972603
3 8QN 0.841463 1
4 SRP 0.82716 0.945946
5 KG4 0.807692 0.958904
6 CA0 0.794872 0.958904
7 AMO 0.788235 0.945946
8 PAJ 0.788235 0.922078
9 8LQ 0.785714 0.972603
10 ME8 0.772727 0.898734
11 4AD 0.767442 0.933333
12 LAD 0.761364 0.897436
13 8LE 0.759036 0.959459
14 A2D 0.753247 0.931507
15 PTJ 0.752809 0.934211
16 NB8 0.752809 0.909091
17 AN2 0.7375 0.918919
18 BA3 0.734177 0.931507
19 M33 0.728395 0.945205
20 YAP 0.728261 0.933333
21 FA5 0.728261 0.945946
22 B4P 0.725 0.931507
23 AP5 0.725 0.931507
24 ADP 0.725 0.931507
25 DLL 0.719101 0.972222
26 AT4 0.716049 0.894737
27 TXA 0.714286 0.972603
28 AMP 0.714286 0.930556
29 A 0.714286 0.930556
30 PRX 0.710843 0.906667
31 ABM 0.708861 0.931507
32 45A 0.708861 0.931507
33 ADX 0.707317 0.839506
34 50T 0.698795 0.893333
35 HEJ 0.698795 0.931507
36 ACP 0.698795 0.906667
37 ATP 0.698795 0.931507
38 OOB 0.696629 0.972222
39 YLP 0.693878 0.876543
40 APR 0.690476 0.958333
41 AR6 0.690476 0.958333
42 AQP 0.690476 0.931507
43 5FA 0.690476 0.931507
44 DAL AMP 0.685393 0.972222
45 PR8 0.684783 0.886076
46 SAP 0.682353 0.883117
47 AD9 0.682353 0.906667
48 AGS 0.682353 0.883117
49 00A 0.681319 0.921053
50 AHX 0.681319 0.884615
51 9ZA 0.677778 0.946667
52 9ZD 0.677778 0.946667
53 1ZZ 0.677419 0.898734
54 SON 0.674699 0.945946
55 3UK 0.673913 0.958904
56 YLC 0.673267 0.898734
57 YLB 0.673267 0.876543
58 AP2 0.670732 0.894737
59 A12 0.670732 0.894737
60 ACQ 0.666667 0.906667
61 WAQ 0.666667 0.921053
62 ANP 0.666667 0.906667
63 B5V 0.666667 0.945946
64 TYM 0.663366 0.945946
65 SRA 0.6625 0.881579
66 B5Y 0.65625 0.959459
67 B5M 0.65625 0.959459
68 OAD 0.655914 0.986111
69 A1R 0.652174 0.871795
70 ATF 0.651685 0.894737
71 GAP 0.647727 0.932432
72 AYB 0.647619 0.865854
73 AU1 0.647059 0.906667
74 9SN 0.645833 0.909091
75 6YZ 0.644444 0.906667
76 4UV 0.642857 0.933333
77 3OD 0.642105 0.986111
78 5SV 0.641304 0.860759
79 9X8 0.638298 0.933333
80 YLA 0.638095 0.853659
81 HQG 0.637363 0.945205
82 ADP MG 0.635294 0.930556
83 A5A 0.633333 0.841463
84 XAH 0.632653 0.851852
85 APC 0.632184 0.894737
86 A22 0.630435 0.918919
87 4UU 0.63 0.933333
88 TAT 0.629214 0.894737
89 T99 0.629214 0.894737
90 ADV 0.625 0.92
91 RBY 0.625 0.92
92 FYA 0.625 0.893333
93 25A 0.623656 0.931507
94 OZV 0.623656 0.931507
95 4UW 0.621359 0.922078
96 A3R 0.617021 0.871795
97 ADQ 0.617021 0.932432
98 TSB 0.612903 0.831325
99 48N 0.61165 0.934211
100 YLY 0.607143 0.865854
101 ADP PO3 0.606742 0.930556
102 ATP MG 0.606742 0.930556
103 APC MG 0.606742 0.905405
104 VMS 0.602151 0.821429
105 54H 0.602151 0.821429
106 LAQ 0.601942 0.875
107 GA7 0.598039 0.894737
108 DQV 0.592233 0.945205
109 BIS 0.591837 0.871795
110 LMS 0.590361 0.817073
111 25L 0.585859 0.918919
112 MYR AMP 0.585859 0.875
113 IOT 0.583333 0.843373
114 LSS 0.583333 0.793103
115 ADP ALF 0.580645 0.858974
116 ALF ADP 0.580645 0.858974
117 AP0 0.579439 0.884615
118 53H 0.578947 0.811765
119 MAP 0.578947 0.883117
120 TYR AMP 0.578431 0.907895
121 N0B 0.577586 0.853659
122 TXD 0.575472 0.896104
123 NAI 0.575472 0.896104
124 SSA 0.574468 0.790698
125 VO4 ADP 0.574468 0.918919
126 ADP VO4 0.574468 0.918919
127 G3A 0.572816 0.884615
128 OMR 0.570093 0.8875
129 TXE 0.570093 0.896104
130 52H 0.568421 0.811765
131 5AS 0.568182 0.790698
132 F2R 0.567568 0.853659
133 AFH 0.567308 0.873418
134 G5P 0.567308 0.884615
135 ARG AMP 0.567308 0.841463
136 5CA 0.5625 0.790698
137 GTA 0.561905 0.875
138 DND 0.560748 0.945946
139 NAX 0.560748 0.8625
140 NXX 0.560748 0.945946
141 6V0 0.560748 0.884615
142 2A5 0.56044 0.857143
143 RAB 0.558442 0.808219
144 XYA 0.558442 0.808219
145 ADN 0.558442 0.808219
146 AOC 0.55814 0.810811
147 5CD 0.556962 0.794521
148 LEU LMS 0.555556 0.784091
149 80F 0.552632 0.853659
150 7MD 0.552381 0.875
151 DSZ 0.55102 0.811765
152 COD 0.548673 0.823529
153 G5A 0.548387 0.790698
154 TAD 0.54717 0.873418
155 NVA LMS 0.545455 0.784091
156 CNA 0.544643 0.92
157 JB6 0.544554 0.871795
158 5N5 0.544304 0.783784
159 BT5 0.54386 0.843373
160 ADP BMA 0.54 0.906667
161 M24 0.538462 0.886076
162 A4D 0.5375 0.783784
163 EP4 0.536585 0.766234
164 7D5 0.535714 0.842105
165 T5A 0.535714 0.853659
166 NSS 0.535354 0.790698
167 A A 0.534653 0.905405
168 GSU 0.534653 0.811765
169 KAA 0.534653 0.764045
170 AMP DBH 0.533333 0.881579
171 5X8 0.532609 0.8
172 UP5 0.53211 0.907895
173 8X1 0.530612 0.764045
174 DTA 0.53012 0.776316
175 M2T 0.53012 0.746835
176 9K8 0.529412 0.764045
177 NAQ 0.529412 0.909091
178 3DH 0.529412 0.786667
179 7D3 0.52809 0.844156
180 AHZ 0.527778 0.875
181 AF3 ADP 3PG 0.527273 0.873418
182 A3D 0.525862 0.958904
183 SMM 0.525773 0.738095
184 YSA 0.52381 0.790698
185 MTA 0.52381 0.786667
186 LPA AMP 0.522936 0.851852
187 UPA 0.522523 0.896104
188 7MC 0.522523 0.876543
189 4TC 0.522523 0.884615
190 A3P 0.522222 0.930556
191 ADJ 0.522124 0.841463
192 NAD 0.521739 0.945205
193 7D4 0.521739 0.844156
194 SA8 0.521277 0.7625
195 PAP 0.521277 0.917808
196 ATR 0.521277 0.90411
197 EEM 0.520833 0.743902
198 P5A 0.519608 0.755556
199 A4P 0.517857 0.811765
200 SFG 0.516129 0.786667
201 H1Q 0.516129 0.891892
202 ATP A 0.514286 0.917808
203 ATP A A A 0.514286 0.917808
204 6RE 0.511364 0.728395
205 SAM 0.510417 0.743902
206 139 0.508772 0.8625
207 NAE 0.508333 0.933333
208 3AM 0.505747 0.890411
209 A2P 0.505495 0.916667
210 ITT 0.505376 0.878378
211 6AD 0.505155 0.873418
212 PPS 0.505155 0.817073
213 A2R 0.50505 0.945205
214 DZD 0.504274 0.873418
215 EAD 0.504065 0.886076
216 8PZ 0.5 0.790698
217 ZID 0.5 0.932432
218 J7C 0.5 0.7375
219 SAI 0.5 0.769231
220 SAH 0.5 0.779221
221 A3T 0.5 0.835616
222 ARU 0.5 0.82716
223 BTX 0.495726 0.831325
224 AR6 AR6 0.495413 0.931507
225 S7M 0.494949 0.743902
226 6MZ 0.494505 0.917808
227 S4M 0.494505 0.678161
228 FB0 0.492188 0.795455
229 J4G 0.490385 0.933333
230 MAO 0.48913 0.771084
231 P1H 0.488189 0.864198
232 WSA 0.486726 0.8
233 JSQ 0.484536 0.883117
234 HFD 0.484536 0.883117
235 A3N 0.483516 0.753247
236 IMO 0.483516 0.890411
237 NAJ PZO 0.483333 0.860759
238 ZAS 0.483146 0.75641
239 AMP NAD 0.483051 0.945205
240 KOY 0.482143 0.84
241 GEK 0.480392 0.772152
242 V3L 0.479592 0.958333
243 6IA 0.479592 0.82716
244 A3S 0.478723 0.8
245 GJV 0.478261 0.719512
246 2AM 0.477273 0.878378
247 NDE 0.476562 0.92
248 0UM 0.475728 0.753086
249 NO7 0.475248 0.87013
250 5AD 0.475 0.760563
251 7C5 0.472727 0.831169
252 DSH 0.472527 0.716049
253 NEC 0.472527 0.76
254 A3G 0.472527 0.789474
255 62X 0.471154 0.717647
256 2SA 0.47 0.92
257 2VA 0.46875 0.813333
258 B1U 0.46789 0.747253
259 NAJ PYZ 0.467742 0.819277
260 K15 0.466667 0.73494
261 NA7 0.466667 0.894737
262 3AT 0.464646 0.905405
263 A7D 0.463158 0.766234
264 NJP 0.462185 0.907895
265 OVE 0.461538 0.844156
266 FNK 0.459854 0.795455
267 A5D 0.459184 0.776316
268 MHZ 0.458333 0.709302
269 4TA 0.458333 0.841463
270 0WD 0.458333 0.884615
271 G A A A 0.458333 0.860759
272 NDC 0.458015 0.884615
273 SXZ 0.457944 0.765432
274 8Q2 0.456897 0.764045
275 AV2 0.455446 0.855263
276 SO8 0.454545 0.802632
277 DAT 0.453608 0.844156
278 Y3J 0.452381 0.716216
279 AVV 0.451923 0.860759
280 4YB 0.451327 0.793103
281 7D7 0.451219 0.733333
282 FDA 0.451128 0.823529
283 DTP 0.45 0.844156
284 C2R 0.449438 0.891892
285 AMZ 0.449438 0.878378
286 6FA 0.447761 0.853659
287 A G 0.446281 0.871795
288 AAT 0.445545 0.698795
289 NDP 0.445378 0.884615
290 NVA 2AD 0.444444 0.772152
291 PGS 0.443299 0.825
292 U A G G 0.442623 0.871795
293 GGZ 0.442308 0.792683
294 71V 0.442105 0.848101
295 NZQ 0.441667 0.873418
296 TXP 0.441667 0.884615
297 LQJ 0.441441 0.905405
298 SFD 0.441176 0.744681
299 FAD 0.441176 0.864198
300 FAS 0.441176 0.864198
301 N5O 0.44086 0.753247
302 KB1 0.440367 0.731707
303 6C6 0.44 0.846154
304 VRT 0.44 0.782051
305 KH3 0.438596 0.72619
306 ODP 0.438017 0.873418
307 649 0.435897 0.755556
308 U A 0.435484 0.896104
309 3NZ 0.435185 0.794872
310 NPW 0.433333 0.851852
311 ETB 0.432 0.823529
312 DCA 0.432 0.813953
313 N5A 0.431579 0.727273
314 OZP 0.431034 0.7625
315 N6P 0.429907 0.876712
316 D3Y 0.428571 0.779221
317 62F 0.428571 0.851852
318 COS 0.426357 0.795455
319 Z5A 0.426357 0.811765
320 A6D 0.425926 0.714286
321 PO4 PO4 A A A A PO4 0.425926 0.890411
322 A A A 0.425926 0.893333
323 D5M 0.425532 0.842105
324 DA 0.425532 0.842105
325 FAY 0.425532 0.875
326 0T1 0.425197 0.813953
327 COA 0.425197 0.813953
328 P5F 0.424658 0.835294
329 6K6 0.424528 0.891892
330 S8M 0.424528 0.75
331 NIA 0.423913 0.790123
332 RFL 0.422535 0.833333
333 AAM 0.421053 0.930556
334 KGP 0.421053 0.721649
335 YZS 0.421053 0.721649
336 FAI 0.421053 0.878378
337 F2N 0.418919 0.804598
338 7DD 0.418367 0.917808
339 AMX 0.415385 0.823529
340 CAO 0.415385 0.786517
341 1DG 0.415385 0.884615
342 DG1 0.415385 0.884615
343 30N 0.415385 0.744681
344 V1N 0.412281 0.931507
345 SCO 0.412214 0.835294
346 NA0 0.412214 0.945946
347 CMX 0.412214 0.835294
348 XNP 0.41129 0.839506
349 9JJ 0.410959 0.851852
350 7RP 0.410526 0.888889
351 MCD 0.410448 0.816092
352 HZ2 0.410256 0.743902
353 ACO 0.409091 0.786517
354 26A 0.409091 0.753247
355 FAM 0.409091 0.795455
356 FCX 0.409091 0.806818
357 AIR 0.409091 0.863014
358 SO5 0.408759 0.731959
359 LCV 0.408759 0.731959
360 F0P 0.408333 0.7625
361 DDS 0.407767 0.818182
362 NAP 0.407692 0.932432
363 CO6 0.407407 0.795455
364 RGT 0.40708 0.92
365 FA9 0.406667 0.853659
366 HAX 0.406015 0.795455
367 7DT 0.405941 0.917808
368 ANZ 0.405172 0.768293
369 APU 0.404959 0.883117
370 A U 0.404959 0.883117
371 J7V 0.40458 0.845238
372 2MC 0.404412 0.76087
373 GNH 0.403846 0.871795
374 HY8 0.403361 0.743902
375 3KK 0.402985 0.795455
376 FYN 0.402985 0.813953
377 N01 0.401575 0.945205
378 SLU 0.401575 0.781609
379 7L1 0.401515 0.786517
380 3HC 0.40146 0.804598
381 A1S 0.40146 0.795455
382 IVC 0.40146 0.804598
383 NMN AMP PO4 0.4 0.883117
384 COK 0.4 0.795455
385 N37 0.4 0.769231
386 101 0.4 0.842105
387 CA6 0.4 0.721649
388 SOP 0.4 0.795455
389 OXK 0.4 0.816092
390 NHD 0.4 0.918919
Ligand no: 2; Ligand: ACP; Similar ligands found: 391
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 BA3 0.833333 0.945205
5 6YZ 0.833333 1
6 B4P 0.821918 0.945205
7 AP5 0.821918 0.945205
8 ADP 0.821918 0.972222
9 AT4 0.810811 0.933333
10 AN2 0.810811 0.958904
11 A12 0.808219 0.986301
12 AP2 0.808219 0.986301
13 M33 0.8 0.932432
14 HEJ 0.789474 0.972222
15 ATP 0.789474 0.972222
16 AQP 0.779221 0.972222
17 5FA 0.779221 0.972222
18 AR6 0.779221 0.945205
19 APR 0.779221 0.945205
20 AGS 0.769231 0.921053
21 AD9 0.769231 0.945946
22 SAP 0.769231 0.921053
23 AMP 0.763889 0.944444
24 A 0.763889 0.944444
25 APC 0.75641 0.986301
26 ADX 0.753247 0.851852
27 CA0 0.753247 0.92
28 ANP 0.75 0.945946
29 50T 0.74359 0.932432
30 KG4 0.74359 0.92
31 PRX 0.734177 0.87013
32 45A 0.733333 0.893333
33 ABM 0.733333 0.893333
34 ATF 0.731707 0.933333
35 HQG 0.714286 0.958904
36 SRA 0.706667 0.894737
37 A22 0.705882 0.958904
38 RBY 0.703704 0.959459
39 ADV 0.703704 0.959459
40 8LE 0.698795 0.871795
41 5AL 0.698795 0.906667
42 ADP MG 0.696203 0.917808
43 ADQ 0.689655 0.92
44 A1R 0.689655 0.909091
45 A3R 0.689655 0.909091
46 AU1 0.6875 0.945946
47 T99 0.686747 0.933333
48 TAT 0.686747 0.933333
49 APC MG 0.682927 0.918919
50 SRP 0.682353 0.907895
51 8LH 0.682353 0.883117
52 9X8 0.674157 0.896104
53 OAD 0.674157 0.92
54 4TC 0.673469 0.922078
55 4AD 0.670455 0.921053
56 AMO 0.670455 0.933333
57 8LQ 0.666667 0.907895
58 00A 0.662921 0.860759
59 ATP MG 0.662651 0.917808
60 ADP PO3 0.662651 0.917808
61 BIS 0.659341 0.909091
62 3OD 0.659341 0.92
63 OZV 0.659091 0.945205
64 25A 0.659091 0.945205
65 OOB 0.659091 0.906667
66 8QN 0.659091 0.906667
67 5SV 0.659091 0.82716
68 SON 0.654321 0.933333
69 25L 0.652174 0.958904
70 PAJ 0.651685 0.8625
71 DLL 0.644444 0.906667
72 AHX 0.644444 0.897436
73 TXA 0.641304 0.907895
74 3UK 0.637363 0.894737
75 ADP ALF 0.632184 0.848101
76 ALF ADP 0.632184 0.848101
77 B5V 0.630435 0.883117
78 PR8 0.630435 0.851852
79 WAQ 0.630435 0.884615
80 LAD 0.630435 0.8625
81 MAP 0.629214 0.921053
82 LMS 0.628205 0.807229
83 GAP 0.627907 0.87013
84 ADP VO4 0.625 0.906667
85 VO4 ADP 0.625 0.906667
86 PTJ 0.623656 0.873418
87 ME8 0.623656 0.841463
88 NB8 0.623656 0.897436
89 FYA 0.623656 0.906667
90 1ZZ 0.623656 0.819277
91 UP5 0.62 0.896104
92 G3A 0.618557 0.897436
93 G5P 0.612245 0.897436
94 AFH 0.612245 0.886076
95 9SN 0.610526 0.85
96 GTA 0.606061 0.864198
97 DQV 0.606061 0.932432
98 9ZA 0.604396 0.884615
99 9ZD 0.604396 0.884615
100 YAP 0.604167 0.896104
101 B5M 0.604167 0.871795
102 FA5 0.604167 0.907895
103 B5Y 0.604167 0.871795
104 TXD 0.60396 0.884615
105 XAH 0.597938 0.841463
106 RAB 0.597222 0.821918
107 ADN 0.597222 0.821918
108 XYA 0.597222 0.821918
109 GA7 0.59596 0.907895
110 48N 0.594059 0.897436
111 DAL AMP 0.593407 0.881579
112 2A5 0.593023 0.92
113 AOC 0.592593 0.8
114 4UV 0.591837 0.871795
115 NAI 0.588235 0.884615
116 DND 0.588235 0.907895
117 NXX 0.588235 0.907895
118 NAX 0.588235 0.875
119 6V0 0.588235 0.873418
120 ATR 0.586207 0.944444
121 PAP 0.586207 0.958333
122 ADP BMA 0.585106 0.894737
123 LAQ 0.584158 0.819277
124 5AS 0.583333 0.761364
125 OMR 0.582524 0.831325
126 TXE 0.582524 0.884615
127 5N5 0.581081 0.797297
128 4UU 0.58 0.871795
129 A A 0.578947 0.918919
130 7D3 0.578313 0.881579
131 AP0 0.576923 0.873418
132 5CD 0.573333 0.783784
133 A4D 0.573333 0.797297
134 JB6 0.572917 0.884615
135 4UW 0.572816 0.839506
136 A4P 0.571429 0.823529
137 CNA 0.570093 0.907895
138 7D4 0.569767 0.881579
139 ITT 0.569767 0.917808
140 A2R 0.565217 0.958904
141 M2T 0.564103 0.716049
142 YLP 0.563107 0.821429
143 139 0.560748 0.851852
144 ADJ 0.560748 0.831325
145 T5A 0.560748 0.843373
146 TAD 0.558824 0.910256
147 ATP A 0.555556 0.905405
148 ATP A A A 0.555556 0.905405
149 A3P 0.552941 0.944444
150 TYM 0.552381 0.907895
151 IOT 0.551402 0.833333
152 EP4 0.551282 0.734177
153 MYR AMP 0.55102 0.797619
154 F2R 0.550459 0.865854
155 7D5 0.55 0.855263
156 A3D 0.54955 0.894737
157 80F 0.54955 0.843373
158 GCP 0.548387 0.922078
159 YLB 0.54717 0.821429
160 YLC 0.54717 0.841463
161 UPA 0.54717 0.884615
162 NAD 0.545455 0.906667
163 H1Q 0.545455 0.88
164 COD 0.545455 0.813953
165 JSQ 0.544444 0.921053
166 HFD 0.544444 0.921053
167 G5A 0.544444 0.781609
168 DTA 0.544304 0.766234
169 3DH 0.54321 0.753247
170 DZD 0.540541 0.910256
171 AHZ 0.538462 0.797619
172 MTA 0.5375 0.753247
173 3AM 0.536585 0.90411
174 A2P 0.534884 0.930556
175 AR6 AR6 0.533981 0.893333
176 PPS 0.532609 0.851852
177 6AD 0.532609 0.886076
178 YLA 0.53211 0.821429
179 AMP DBH 0.529412 0.87013
180 TYR AMP 0.529412 0.871795
181 AYB 0.527273 0.811765
182 A5A 0.526882 0.788235
183 TSB 0.526316 0.8
184 6RE 0.52381 0.7625
185 S4M 0.523256 0.670455
186 SSA 0.521277 0.802326
187 NA7 0.520408 0.959459
188 ARG AMP 0.519231 0.831325
189 7MD 0.519231 0.864198
190 LPA AMP 0.518868 0.797619
191 BTX 0.517857 0.843373
192 NAE 0.517241 0.871795
193 NO7 0.515789 0.907895
194 VMS 0.515789 0.770115
195 52H 0.515789 0.761364
196 54H 0.515789 0.770115
197 BT5 0.513274 0.833333
198 NAQ 0.512821 0.85
199 ZAS 0.511905 0.746835
200 IMO 0.511628 0.90411
201 J7C 0.511628 0.772152
202 A3N 0.511628 0.766234
203 AV2 0.510638 0.893333
204 53H 0.510417 0.761364
205 8X1 0.510417 0.755556
206 5CA 0.510417 0.802326
207 ARU 0.510204 0.839506
208 AF3 ADP 3PG 0.509259 0.839506
209 M24 0.508621 0.829268
210 ZID 0.508475 0.894737
211 2AM 0.506024 0.917808
212 6MZ 0.505747 0.905405
213 3AT 0.505376 0.972222
214 V3L 0.505376 0.945205
215 AVV 0.505155 0.897436
216 NSS 0.5 0.802326
217 MAO 0.5 0.761905
218 P5A 0.5 0.747253
219 EAD 0.5 0.851852
220 DSH 0.5 0.728395
221 DSZ 0.5 0.802326
222 LSS 0.5 0.764045
223 YLY 0.495726 0.811765
224 9K8 0.49505 0.698925
225 NVA LMS 0.494949 0.755556
226 DAT 0.494505 0.906667
227 5X8 0.494505 0.766234
228 AMP NAD 0.491228 0.881579
229 7MC 0.490909 0.843373
230 LEU LMS 0.49 0.755556
231 SMM 0.489583 0.689655
232 SAM 0.489362 0.694118
233 DTP 0.489362 0.906667
234 7DD 0.488889 0.958333
235 GJV 0.488636 0.753086
236 OVE 0.488372 0.881579
237 5AD 0.486842 0.726027
238 KAA 0.485149 0.755556
239 GSU 0.485149 0.781609
240 NDE 0.483871 0.907895
241 P1H 0.483871 0.831325
242 N0B 0.483333 0.821429
243 A3G 0.482759 0.802632
244 NAJ PZO 0.478632 0.82716
245 4TA 0.478261 0.809524
246 SFG 0.478261 0.753247
247 YSA 0.47619 0.781609
248 FB0 0.47619 0.827586
249 NDC 0.47619 0.85
250 7DT 0.473118 0.958333
251 A7D 0.472527 0.779221
252 J4G 0.470588 0.921053
253 NJP 0.469565 0.921053
254 FDA 0.46875 0.835294
255 SA8 0.468085 0.710843
256 A5D 0.468085 0.766234
257 MHZ 0.467391 0.701149
258 8PZ 0.466667 0.802326
259 71V 0.466667 0.884615
260 G A A A 0.465517 0.85
261 0WD 0.465517 0.897436
262 6FA 0.465116 0.843373
263 GGZ 0.464646 0.804878
264 SAH 0.463158 0.746835
265 6C6 0.463158 0.883117
266 SAI 0.463158 0.7375
267 NAJ PYZ 0.46281 0.788235
268 Y3J 0.4625 0.706667
269 B1U 0.462264 0.72043
270 LQJ 0.462264 0.893333
271 7D7 0.461538 0.723684
272 TXP 0.46087 0.897436
273 PO4 PO4 A A A A PO4 0.460784 0.878378
274 S7M 0.459184 0.694118
275 DDS 0.458333 0.855263
276 6IA 0.458333 0.839506
277 FAD 0.458015 0.853659
278 FAS 0.458015 0.853659
279 SFD 0.458015 0.736842
280 ODP 0.456897 0.886076
281 A3S 0.456522 0.813333
282 U A 0.453782 0.884615
283 7C5 0.453704 0.797468
284 EEM 0.453608 0.694118
285 AAT 0.453608 0.710843
286 A G 0.452991 0.860759
287 RGT 0.45283 0.933333
288 NPW 0.452174 0.8875
289 NDP 0.452174 0.897436
290 FAY 0.451852 0.864198
291 PGS 0.451613 0.860759
292 KOY 0.45045 0.782051
293 NEC 0.449438 0.727273
294 DA 0.449438 0.88
295 D5M 0.449438 0.88
296 U A G G 0.449153 0.860759
297 2SA 0.44898 0.933333
298 NIA 0.448276 0.802469
299 NZQ 0.448276 0.910256
300 A U 0.447368 0.848101
301 A3T 0.446809 0.8
302 A A A 0.446602 0.906667
303 128 0.446429 0.758621
304 6K6 0.445545 0.905405
305 GEK 0.445545 0.740741
306 4YB 0.445455 0.764045
307 FNK 0.444444 0.806818
308 62F 0.444444 0.864198
309 AAM 0.444444 0.944444
310 Z5A 0.443548 0.761364
311 WSA 0.442478 0.790698
312 C2R 0.44186 0.88
313 AMZ 0.44186 0.891892
314 12D 0.441441 0.767442
315 XNP 0.440678 0.851852
316 RFL 0.437956 0.823529
317 62X 0.436893 0.670455
318 N6P 0.436893 0.890411
319 AIR 0.433735 0.876712
320 N5O 0.433333 0.766234
321 GP3 0.43299 0.897436
322 A6D 0.432692 0.705882
323 V1N 0.431193 0.893333
324 649 0.429825 0.747253
325 GP2 0.428571 0.910256
326 GDP 0.428571 0.896104
327 NA0 0.428571 0.907895
328 0UM 0.427184 0.702381
329 DCA 0.42623 0.825581
330 ETB 0.42623 0.835294
331 8Q2 0.426087 0.775281
332 9JJ 0.425532 0.841463
333 GNH 0.424242 0.884615
334 NAP 0.424 0.92
335 N5A 0.423913 0.74026
336 PUA 0.422764 0.8625
337 APU 0.422414 0.871795
338 101 0.422222 0.855263
339 3AD 0.421687 0.808219
340 FA9 0.42069 0.865854
341 TAP 0.420635 0.884615
342 TM1 0.420561 0.755814
343 P5F 0.41958 0.825581
344 0T1 0.419355 0.825581
345 COA 0.419355 0.825581
346 K15 0.419048 0.686047
347 7RP 0.417582 0.902778
348 S8M 0.417476 0.7625
349 NHD 0.416667 0.881579
350 GTP 0.415842 0.896104
351 FCX 0.414062 0.797753
352 F2N 0.413793 0.816092
353 AS 0.413043 0.835443
354 7RA 0.413043 0.931507
355 G1R 0.411765 0.884615
356 SXZ 0.411215 0.714286
357 ACK 0.411111 0.837838
358 QQY 0.411111 0.794872
359 J7V 0.409449 0.813953
360 COS 0.409449 0.806818
361 30N 0.409449 0.755319
362 1DG 0.409449 0.897436
363 DG1 0.409449 0.897436
364 AMX 0.409449 0.835294
365 CAO 0.409449 0.797753
366 EO7 0.408602 0.770115
367 8BR 0.408602 0.883117
368 9BG 0.408333 0.873418
369 NVA 2AD 0.408163 0.7625
370 D3Y 0.407767 0.792208
371 9GM 0.407767 0.873418
372 G2P 0.407767 0.910256
373 GNP 0.407767 0.873418
374 GSP 0.407767 0.851852
375 KB1 0.407407 0.702381
376 CC5 0.407407 0.819444
377 A C A C 0.406504 0.82716
378 N01 0.406504 0.881579
379 CMX 0.40625 0.825581
380 SCO 0.40625 0.825581
381 HDV 0.405941 0.87013
382 CMP 0.404255 0.876712
383 2BA 0.404255 0.890411
384 ACO 0.403101 0.797753
385 FAM 0.403101 0.806818
386 2VA 0.402062 0.779221
387 3NZ 0.401869 0.78481
388 HAX 0.4 0.806818
389 26A 0.4 0.74359
390 QQX 0.4 0.78481
391 OZP 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HXU; Ligand: A5A; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3hxu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3G1Z AMP 2.76074
2 3G1Z AMP 2.76074
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