-->
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: 361
No: Ligand ECFP6 Tc MDL keys Tc
1 5AL 1 1
2 8QN 0.841463 1
3 SRP 0.82716 0.945946
4 CA0 0.794872 0.958904
5 PAJ 0.788235 0.922078
6 AMO 0.788235 0.945946
7 ME8 0.772727 0.898734
8 4AD 0.767442 0.933333
9 LAD 0.761364 0.897436
10 A2D 0.753247 0.931507
11 NB8 0.752809 0.909091
12 PTJ 0.752809 0.934211
13 AN2 0.7375 0.918919
14 BA3 0.734177 0.931507
15 M33 0.728395 0.945205
16 YAP 0.728261 0.933333
17 FA5 0.728261 0.945946
18 B4P 0.725 0.931507
19 AP5 0.725 0.931507
20 ADP 0.725 0.931507
21 DLL 0.719101 0.972222
22 AT4 0.716049 0.894737
23 AMP 0.714286 0.930556
24 A 0.714286 0.930556
25 TXA 0.714286 0.972603
26 PRX 0.710843 0.906667
27 ABM 0.708861 0.931507
28 ADX 0.707317 0.839506
29 50T 0.698795 0.893333
30 HEJ 0.698795 0.931507
31 ATP 0.698795 0.931507
32 ACP 0.698795 0.906667
33 OOB 0.696629 0.972222
34 YLP 0.693878 0.876543
35 AR6 0.690476 0.958333
36 AQP 0.690476 0.931507
37 APR 0.690476 0.958333
38 5FA 0.690476 0.931507
39 DAL AMP 0.685393 0.972222
40 PR8 0.684783 0.886076
41 AGS 0.682353 0.883117
42 SAP 0.682353 0.883117
43 AD9 0.682353 0.906667
44 00A 0.681319 0.921053
45 AHX 0.681319 0.884615
46 9ZD 0.677778 0.946667
47 9ZA 0.677778 0.946667
48 1ZZ 0.677419 0.898734
49 SON 0.674699 0.945946
50 3UK 0.673913 0.958904
51 YLC 0.673267 0.898734
52 YLB 0.673267 0.876543
53 AP2 0.670732 0.894737
54 A12 0.670732 0.894737
55 WAQ 0.666667 0.921053
56 B5V 0.666667 0.945946
57 ACQ 0.666667 0.906667
58 ANP 0.666667 0.906667
59 TYM 0.663366 0.945946
60 SRA 0.6625 0.881579
61 B5Y 0.65625 0.959459
62 B5M 0.65625 0.959459
63 OAD 0.655914 0.986111
64 A1R 0.652174 0.871795
65 ATF 0.651685 0.894737
66 GAP 0.647727 0.932432
67 AYB 0.647619 0.865854
68 AU1 0.647059 0.906667
69 9SN 0.645833 0.909091
70 6YZ 0.644444 0.906667
71 4UV 0.642857 0.933333
72 3OD 0.642105 0.986111
73 5SV 0.641304 0.860759
74 9X8 0.638298 0.933333
75 YLA 0.638095 0.853659
76 A5A 0.633333 0.841463
77 XAH 0.632653 0.851852
78 APC 0.632184 0.894737
79 A22 0.630435 0.918919
80 4UU 0.63 0.933333
81 T99 0.629214 0.894737
82 TAT 0.629214 0.894737
83 FYA 0.625 0.893333
84 ADV 0.625 0.92
85 RBY 0.625 0.92
86 25A 0.623656 0.931507
87 4UW 0.621359 0.922078
88 ADQ 0.617021 0.932432
89 A3R 0.617021 0.871795
90 TSB 0.612903 0.831325
91 48N 0.61165 0.934211
92 YLY 0.607143 0.865854
93 ADP PO3 0.606742 0.930556
94 VMS 0.602151 0.821429
95 54H 0.602151 0.821429
96 LAQ 0.601942 0.875
97 GA7 0.598039 0.894737
98 DQV 0.592233 0.945205
99 BIS 0.591837 0.871795
100 LMS 0.590361 0.817073
101 MYR AMP 0.585859 0.875
102 25L 0.585859 0.918919
103 LSS 0.583333 0.793103
104 IOT 0.583333 0.843373
105 ALF ADP 0.580645 0.858974
106 ADP ALF 0.580645 0.858974
107 AP0 0.579439 0.884615
108 53H 0.578947 0.811765
109 MAP 0.578947 0.883117
110 TYR AMP 0.578431 0.907895
111 N0B 0.577586 0.853659
112 NAI 0.575472 0.896104
113 TXD 0.575472 0.896104
114 ADP VO4 0.574468 0.918919
115 SSA 0.574468 0.790698
116 VO4 ADP 0.574468 0.918919
117 G3A 0.572816 0.884615
118 TXE 0.570093 0.896104
119 OMR 0.570093 0.8875
120 52H 0.568421 0.811765
121 5AS 0.568182 0.790698
122 F2R 0.567568 0.853659
123 G5P 0.567308 0.884615
124 ARG AMP 0.567308 0.841463
125 AFH 0.567308 0.873418
126 5CA 0.5625 0.790698
127 GTA 0.561905 0.875
128 NAX 0.560748 0.8625
129 NXX 0.560748 0.945946
130 DND 0.560748 0.945946
131 6V0 0.560748 0.884615
132 2A5 0.56044 0.857143
133 ADN 0.558442 0.808219
134 XYA 0.558442 0.808219
135 RAB 0.558442 0.808219
136 AOC 0.55814 0.810811
137 5CD 0.556962 0.794521
138 LEU LMS 0.555556 0.784091
139 80F 0.552632 0.853659
140 7MD 0.552381 0.875
141 DSZ 0.55102 0.811765
142 COD 0.548673 0.823529
143 G5A 0.548387 0.790698
144 TAD 0.54717 0.873418
145 NVA LMS 0.545455 0.784091
146 CNA 0.544643 0.92
147 JB6 0.544554 0.871795
148 5N5 0.544304 0.783784
149 BT5 0.54386 0.843373
150 ADP BMA 0.54 0.906667
151 M24 0.538462 0.886076
152 A4D 0.5375 0.783784
153 EP4 0.536585 0.766234
154 T5A 0.535714 0.853659
155 7D5 0.535714 0.842105
156 NSS 0.535354 0.790698
157 GSU 0.534653 0.811765
158 KAA 0.534653 0.764045
159 A A 0.534653 0.905405
160 AMP DBH 0.533333 0.881579
161 5X8 0.532609 0.8
162 UP5 0.53211 0.907895
163 8X1 0.530612 0.764045
164 M2T 0.53012 0.746835
165 DTA 0.53012 0.776316
166 3DH 0.529412 0.786667
167 NAQ 0.529412 0.909091
168 9K8 0.529412 0.764045
169 7D3 0.52809 0.844156
170 AHZ 0.527778 0.875
171 AF3 ADP 3PG 0.527273 0.873418
172 A3D 0.525862 0.958904
173 SMM 0.525773 0.738095
174 MTA 0.52381 0.786667
175 YSA 0.52381 0.790698
176 LPA AMP 0.522936 0.851852
177 4TC 0.522523 0.884615
178 7MC 0.522523 0.876543
179 UPA 0.522523 0.896104
180 A3P 0.522222 0.930556
181 ADJ 0.522124 0.841463
182 NAD 0.521739 0.945205
183 7D4 0.521739 0.844156
184 ATR 0.521277 0.90411
185 SA8 0.521277 0.7625
186 PAP 0.521277 0.917808
187 EEM 0.520833 0.743902
188 P5A 0.519608 0.755556
189 A4P 0.517857 0.811765
190 SFG 0.516129 0.786667
191 ATP A A A 0.514286 0.917808
192 6RE 0.511364 0.728395
193 SAM 0.510417 0.743902
194 139 0.508772 0.8625
195 NAE 0.508333 0.933333
196 3AM 0.505747 0.890411
197 A2P 0.505495 0.916667
198 ITT 0.505376 0.878378
199 PPS 0.505155 0.817073
200 6AD 0.505155 0.873418
201 A2R 0.50505 0.945205
202 DZD 0.504274 0.873418
203 EAD 0.504065 0.886076
204 A3T 0.5 0.835616
205 8PZ 0.5 0.790698
206 SAI 0.5 0.769231
207 SAH 0.5 0.779221
208 ZID 0.5 0.932432
209 ARU 0.5 0.82716
210 J7C 0.5 0.7375
211 BTX 0.495726 0.831325
212 AR6 AR6 0.495413 0.931507
213 S7M 0.494949 0.743902
214 S4M 0.494505 0.678161
215 FB0 0.492188 0.795455
216 MAO 0.48913 0.771084
217 P1H 0.488189 0.864198
218 WSA 0.486726 0.8
219 HFD 0.484536 0.883117
220 IMO 0.483516 0.890411
221 A3N 0.483516 0.753247
222 NAJ PZO 0.483333 0.860759
223 ZAS 0.483146 0.75641
224 AMP NAD 0.483051 0.945205
225 GEK 0.480392 0.772152
226 6IA 0.479592 0.82716
227 V3L 0.479592 0.958333
228 A3S 0.478723 0.8
229 GJV 0.478261 0.719512
230 2AM 0.477273 0.878378
231 NDE 0.476562 0.92
232 0UM 0.475728 0.753086
233 5AD 0.475 0.760563
234 7C5 0.472727 0.831169
235 A3G 0.472527 0.789474
236 DSH 0.472527 0.716049
237 NEC 0.472527 0.76
238 62X 0.471154 0.717647
239 2SA 0.47 0.92
240 2VA 0.46875 0.813333
241 NAJ PYZ 0.467742 0.819277
242 NA7 0.466667 0.894737
243 K15 0.466667 0.73494
244 3AT 0.464646 0.905405
245 A7D 0.463158 0.766234
246 NJP 0.462185 0.907895
247 OVE 0.461538 0.844156
248 FNK 0.459854 0.795455
249 A5D 0.459184 0.776316
250 0WD 0.458333 0.884615
251 4TA 0.458333 0.841463
252 MHZ 0.458333 0.709302
253 G A A A 0.458333 0.860759
254 NDC 0.458015 0.884615
255 SXZ 0.457944 0.765432
256 8Q2 0.456897 0.764045
257 AV2 0.455446 0.855263
258 SO8 0.454545 0.802632
259 DAT 0.453608 0.844156
260 Y3J 0.452381 0.716216
261 AVV 0.451923 0.860759
262 4YB 0.451327 0.793103
263 7D7 0.451219 0.733333
264 FDA 0.451128 0.823529
265 DTP 0.45 0.844156
266 C2R 0.449438 0.891892
267 AMZ 0.449438 0.878378
268 6FA 0.447761 0.853659
269 A G 0.446281 0.871795
270 AAT 0.445545 0.698795
271 NDP 0.445378 0.884615
272 NVA 2AD 0.444444 0.772152
273 PGS 0.443299 0.825
274 U A G G 0.442623 0.871795
275 GGZ 0.442308 0.792683
276 71V 0.442105 0.848101
277 NZQ 0.441667 0.873418
278 TXP 0.441667 0.884615
279 SFD 0.441176 0.744681
280 FAS 0.441176 0.864198
281 FAD 0.441176 0.864198
282 KB1 0.440367 0.731707
283 VRT 0.44 0.782051
284 6C6 0.44 0.846154
285 KH3 0.438596 0.72619
286 ODP 0.438017 0.873418
287 649 0.435897 0.755556
288 U A 0.435484 0.896104
289 3NZ 0.435185 0.794872
290 NPW 0.433333 0.851852
291 DCA 0.432 0.813953
292 ETB 0.432 0.823529
293 N6P 0.429907 0.876712
294 62F 0.428571 0.851852
295 D3Y 0.428571 0.779221
296 COS 0.426357 0.795455
297 Z5A 0.426357 0.811765
298 A6D 0.425926 0.714286
299 PO4 PO4 A A A A PO4 0.425926 0.890411
300 A A A 0.425926 0.893333
301 DA 0.425532 0.842105
302 D5M 0.425532 0.842105
303 FAY 0.425532 0.875
304 COA 0.425197 0.813953
305 0T1 0.425197 0.813953
306 P5F 0.424658 0.835294
307 6K6 0.424528 0.891892
308 S8M 0.424528 0.75
309 NIA 0.423913 0.790123
310 RFL 0.422535 0.833333
311 AAM 0.421053 0.930556
312 FAI 0.421053 0.878378
313 F2N 0.418919 0.804598
314 7DD 0.418367 0.917808
315 AMX 0.415385 0.823529
316 30N 0.415385 0.744681
317 DG1 0.415385 0.884615
318 CAO 0.415385 0.786517
319 1DG 0.415385 0.884615
320 V1N 0.412281 0.931507
321 SCO 0.412214 0.835294
322 NA0 0.412214 0.945946
323 CMX 0.412214 0.835294
324 XNP 0.41129 0.839506
325 9JJ 0.410959 0.851852
326 7RP 0.410526 0.888889
327 MCD 0.410448 0.816092
328 FAM 0.409091 0.795455
329 ACO 0.409091 0.786517
330 AIR 0.409091 0.863014
331 26A 0.409091 0.753247
332 FCX 0.409091 0.806818
333 F0P 0.408333 0.7625
334 DDS 0.407767 0.818182
335 NAP 0.407692 0.932432
336 CO6 0.407407 0.795455
337 RGT 0.40708 0.92
338 FA9 0.406667 0.853659
339 HAX 0.406015 0.795455
340 7DT 0.405941 0.917808
341 ANZ 0.405172 0.768293
342 APU 0.404959 0.883117
343 A U 0.404959 0.883117
344 J7V 0.40458 0.845238
345 2MC 0.404412 0.76087
346 GNH 0.403846 0.871795
347 FYN 0.402985 0.813953
348 3KK 0.402985 0.795455
349 N01 0.401575 0.945205
350 SLU 0.401575 0.781609
351 7L1 0.401515 0.786517
352 A1S 0.40146 0.795455
353 3HC 0.40146 0.804598
354 IVC 0.40146 0.804598
355 NHD 0.4 0.918919
356 CA6 0.4 0.721649
357 COK 0.4 0.795455
358 NMN AMP PO4 0.4 0.883117
359 OXK 0.4 0.816092
360 SOP 0.4 0.795455
361 101 0.4 0.842105
Ligand no: 2; Ligand: ACP; Similar ligands found: 368
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 6YZ 0.833333 1
5 BA3 0.833333 0.945205
6 AP5 0.821918 0.945205
7 B4P 0.821918 0.945205
8 ADP 0.821918 0.972222
9 AT4 0.810811 0.933333
10 AN2 0.810811 0.958904
11 AP2 0.808219 0.986301
12 A12 0.808219 0.986301
13 M33 0.8 0.932432
14 HEJ 0.789474 0.972222
15 ATP 0.789474 0.972222
16 5FA 0.779221 0.972222
17 AR6 0.779221 0.945205
18 AQP 0.779221 0.972222
19 APR 0.779221 0.945205
20 AGS 0.769231 0.921053
21 SAP 0.769231 0.921053
22 AD9 0.769231 0.945946
23 AMP 0.763889 0.944444
24 A 0.763889 0.944444
25 APC 0.75641 0.986301
26 CA0 0.753247 0.92
27 ADX 0.753247 0.851852
28 ANP 0.75 0.945946
29 50T 0.74359 0.932432
30 PRX 0.734177 0.87013
31 ABM 0.733333 0.893333
32 ATF 0.731707 0.933333
33 SRA 0.706667 0.894737
34 A22 0.705882 0.958904
35 RBY 0.703704 0.959459
36 ADV 0.703704 0.959459
37 5AL 0.698795 0.906667
38 A3R 0.689655 0.909091
39 A1R 0.689655 0.909091
40 ADQ 0.689655 0.92
41 AU1 0.6875 0.945946
42 TAT 0.686747 0.933333
43 T99 0.686747 0.933333
44 SRP 0.682353 0.907895
45 9X8 0.674157 0.896104
46 OAD 0.674157 0.92
47 4TC 0.673469 0.922078
48 4AD 0.670455 0.921053
49 AMO 0.670455 0.933333
50 00A 0.662921 0.860759
51 ADP PO3 0.662651 0.917808
52 3OD 0.659341 0.92
53 BIS 0.659341 0.909091
54 25A 0.659091 0.945205
55 OOB 0.659091 0.906667
56 8QN 0.659091 0.906667
57 5SV 0.659091 0.82716
58 SON 0.654321 0.933333
59 25L 0.652174 0.958904
60 PAJ 0.651685 0.8625
61 DLL 0.644444 0.906667
62 AHX 0.644444 0.897436
63 TXA 0.641304 0.907895
64 3UK 0.637363 0.894737
65 ALF ADP 0.632184 0.848101
66 ADP ALF 0.632184 0.848101
67 PR8 0.630435 0.851852
68 WAQ 0.630435 0.884615
69 B5V 0.630435 0.883117
70 LAD 0.630435 0.8625
71 MAP 0.629214 0.921053
72 LMS 0.628205 0.807229
73 GAP 0.627907 0.87013
74 VO4 ADP 0.625 0.906667
75 ADP VO4 0.625 0.906667
76 PTJ 0.623656 0.873418
77 FYA 0.623656 0.906667
78 ME8 0.623656 0.841463
79 1ZZ 0.623656 0.819277
80 NB8 0.623656 0.897436
81 UP5 0.62 0.896104
82 G3A 0.618557 0.897436
83 G5P 0.612245 0.897436
84 AFH 0.612245 0.886076
85 9SN 0.610526 0.85
86 DQV 0.606061 0.932432
87 GTA 0.606061 0.864198
88 9ZD 0.604396 0.884615
89 9ZA 0.604396 0.884615
90 YAP 0.604167 0.896104
91 FA5 0.604167 0.907895
92 B5Y 0.604167 0.871795
93 B5M 0.604167 0.871795
94 TXD 0.60396 0.884615
95 XAH 0.597938 0.841463
96 ADN 0.597222 0.821918
97 RAB 0.597222 0.821918
98 XYA 0.597222 0.821918
99 GA7 0.59596 0.907895
100 48N 0.594059 0.897436
101 DAL AMP 0.593407 0.881579
102 2A5 0.593023 0.92
103 AOC 0.592593 0.8
104 4UV 0.591837 0.871795
105 NXX 0.588235 0.907895
106 6V0 0.588235 0.873418
107 NAX 0.588235 0.875
108 DND 0.588235 0.907895
109 NAI 0.588235 0.884615
110 ATR 0.586207 0.944444
111 PAP 0.586207 0.958333
112 ADP BMA 0.585106 0.894737
113 LAQ 0.584158 0.819277
114 5AS 0.583333 0.761364
115 OMR 0.582524 0.831325
116 TXE 0.582524 0.884615
117 5N5 0.581081 0.797297
118 4UU 0.58 0.871795
119 A A 0.578947 0.918919
120 7D3 0.578313 0.881579
121 AP0 0.576923 0.873418
122 A4D 0.573333 0.797297
123 5CD 0.573333 0.783784
124 JB6 0.572917 0.884615
125 4UW 0.572816 0.839506
126 A4P 0.571429 0.823529
127 CNA 0.570093 0.907895
128 ITT 0.569767 0.917808
129 7D4 0.569767 0.881579
130 A2R 0.565217 0.958904
131 M2T 0.564103 0.716049
132 YLP 0.563107 0.821429
133 139 0.560748 0.851852
134 ADJ 0.560748 0.831325
135 T5A 0.560748 0.843373
136 TAD 0.558824 0.910256
137 ATP A A A 0.555556 0.905405
138 A3P 0.552941 0.944444
139 TYM 0.552381 0.907895
140 IOT 0.551402 0.833333
141 EP4 0.551282 0.734177
142 MYR AMP 0.55102 0.797619
143 F2R 0.550459 0.865854
144 7D5 0.55 0.855263
145 A3D 0.54955 0.894737
146 80F 0.54955 0.843373
147 GCP 0.548387 0.922078
148 UPA 0.54717 0.884615
149 YLC 0.54717 0.841463
150 YLB 0.54717 0.821429
151 NAD 0.545455 0.906667
152 COD 0.545455 0.813953
153 G5A 0.544444 0.781609
154 HFD 0.544444 0.921053
155 DTA 0.544304 0.766234
156 3DH 0.54321 0.753247
157 DZD 0.540541 0.910256
158 AHZ 0.538462 0.797619
159 MTA 0.5375 0.753247
160 3AM 0.536585 0.90411
161 A2P 0.534884 0.930556
162 AR6 AR6 0.533981 0.893333
163 PPS 0.532609 0.851852
164 6AD 0.532609 0.886076
165 YLA 0.53211 0.821429
166 TYR AMP 0.529412 0.871795
167 AMP DBH 0.529412 0.87013
168 AYB 0.527273 0.811765
169 A5A 0.526882 0.788235
170 TSB 0.526316 0.8
171 6RE 0.52381 0.7625
172 S4M 0.523256 0.670455
173 SSA 0.521277 0.802326
174 NA7 0.520408 0.959459
175 7MD 0.519231 0.864198
176 ARG AMP 0.519231 0.831325
177 LPA AMP 0.518868 0.797619
178 BTX 0.517857 0.843373
179 NAE 0.517241 0.871795
180 54H 0.515789 0.770115
181 52H 0.515789 0.761364
182 VMS 0.515789 0.770115
183 BT5 0.513274 0.833333
184 NAQ 0.512821 0.85
185 ZAS 0.511905 0.746835
186 J7C 0.511628 0.772152
187 A3N 0.511628 0.766234
188 IMO 0.511628 0.90411
189 AV2 0.510638 0.893333
190 53H 0.510417 0.761364
191 8X1 0.510417 0.755556
192 5CA 0.510417 0.802326
193 ARU 0.510204 0.839506
194 AF3 ADP 3PG 0.509259 0.839506
195 M24 0.508621 0.829268
196 ZID 0.508475 0.894737
197 2AM 0.506024 0.917808
198 V3L 0.505376 0.945205
199 3AT 0.505376 0.972222
200 AVV 0.505155 0.897436
201 NSS 0.5 0.802326
202 EAD 0.5 0.851852
203 DSZ 0.5 0.802326
204 MAO 0.5 0.761905
205 LSS 0.5 0.764045
206 DSH 0.5 0.728395
207 P5A 0.5 0.747253
208 YLY 0.495726 0.811765
209 9K8 0.49505 0.698925
210 NVA LMS 0.494949 0.755556
211 DAT 0.494505 0.906667
212 5X8 0.494505 0.766234
213 AMP NAD 0.491228 0.881579
214 7MC 0.490909 0.843373
215 LEU LMS 0.49 0.755556
216 SMM 0.489583 0.689655
217 SAM 0.489362 0.694118
218 DTP 0.489362 0.906667
219 7DD 0.488889 0.958333
220 GJV 0.488636 0.753086
221 OVE 0.488372 0.881579
222 5AD 0.486842 0.726027
223 GSU 0.485149 0.781609
224 KAA 0.485149 0.755556
225 P1H 0.483871 0.831325
226 NDE 0.483871 0.907895
227 N0B 0.483333 0.821429
228 A3G 0.482759 0.802632
229 NAJ PZO 0.478632 0.82716
230 4TA 0.478261 0.809524
231 SFG 0.478261 0.753247
232 NDC 0.47619 0.85
233 YSA 0.47619 0.781609
234 FB0 0.47619 0.827586
235 7DT 0.473118 0.958333
236 A7D 0.472527 0.779221
237 NJP 0.469565 0.921053
238 FDA 0.46875 0.835294
239 SA8 0.468085 0.710843
240 A5D 0.468085 0.766234
241 MHZ 0.467391 0.701149
242 8PZ 0.466667 0.802326
243 71V 0.466667 0.884615
244 G A A A 0.465517 0.85
245 0WD 0.465517 0.897436
246 6FA 0.465116 0.843373
247 GGZ 0.464646 0.804878
248 SAI 0.463158 0.7375
249 SAH 0.463158 0.746835
250 6C6 0.463158 0.883117
251 NAJ PYZ 0.46281 0.788235
252 Y3J 0.4625 0.706667
253 7D7 0.461538 0.723684
254 TXP 0.46087 0.897436
255 PO4 PO4 A A A A PO4 0.460784 0.878378
256 S7M 0.459184 0.694118
257 6IA 0.458333 0.839506
258 DDS 0.458333 0.855263
259 FAS 0.458015 0.853659
260 FAD 0.458015 0.853659
261 SFD 0.458015 0.736842
262 ODP 0.456897 0.886076
263 A3S 0.456522 0.813333
264 U A 0.453782 0.884615
265 7C5 0.453704 0.797468
266 EEM 0.453608 0.694118
267 AAT 0.453608 0.710843
268 A G 0.452991 0.860759
269 RGT 0.45283 0.933333
270 NPW 0.452174 0.8875
271 NDP 0.452174 0.897436
272 FAY 0.451852 0.864198
273 PGS 0.451613 0.860759
274 D5M 0.449438 0.88
275 DA 0.449438 0.88
276 NEC 0.449438 0.727273
277 U A G G 0.449153 0.860759
278 2SA 0.44898 0.933333
279 NIA 0.448276 0.802469
280 NZQ 0.448276 0.910256
281 A U 0.447368 0.848101
282 A3T 0.446809 0.8
283 A A A 0.446602 0.906667
284 128 0.446429 0.758621
285 6K6 0.445545 0.905405
286 GEK 0.445545 0.740741
287 4YB 0.445455 0.764045
288 AAM 0.444444 0.944444
289 FNK 0.444444 0.806818
290 62F 0.444444 0.864198
291 Z5A 0.443548 0.761364
292 WSA 0.442478 0.790698
293 AMZ 0.44186 0.891892
294 C2R 0.44186 0.88
295 12D 0.441441 0.767442
296 XNP 0.440678 0.851852
297 RFL 0.437956 0.823529
298 62X 0.436893 0.670455
299 N6P 0.436893 0.890411
300 AIR 0.433735 0.876712
301 GP3 0.43299 0.897436
302 A6D 0.432692 0.705882
303 V1N 0.431193 0.893333
304 649 0.429825 0.747253
305 GP2 0.428571 0.910256
306 GDP 0.428571 0.896104
307 NA0 0.428571 0.907895
308 0UM 0.427184 0.702381
309 ETB 0.42623 0.835294
310 DCA 0.42623 0.825581
311 8Q2 0.426087 0.775281
312 9JJ 0.425532 0.841463
313 GNH 0.424242 0.884615
314 NAP 0.424 0.92
315 PUA 0.422764 0.8625
316 APU 0.422414 0.871795
317 101 0.422222 0.855263
318 3AD 0.421687 0.808219
319 FA9 0.42069 0.865854
320 TAP 0.420635 0.884615
321 TM1 0.420561 0.755814
322 P5F 0.41958 0.825581
323 0T1 0.419355 0.825581
324 COA 0.419355 0.825581
325 K15 0.419048 0.686047
326 7RP 0.417582 0.902778
327 S8M 0.417476 0.7625
328 NHD 0.416667 0.881579
329 GTP 0.415842 0.896104
330 FCX 0.414062 0.797753
331 F2N 0.413793 0.816092
332 AS 0.413043 0.835443
333 7RA 0.413043 0.931507
334 G1R 0.411765 0.884615
335 SXZ 0.411215 0.714286
336 ACK 0.411111 0.837838
337 QQY 0.411111 0.794872
338 CAO 0.409449 0.797753
339 COS 0.409449 0.806818
340 DG1 0.409449 0.897436
341 30N 0.409449 0.755319
342 AMX 0.409449 0.835294
343 1DG 0.409449 0.897436
344 J7V 0.409449 0.813953
345 EO7 0.408602 0.770115
346 8BR 0.408602 0.883117
347 NVA 2AD 0.408163 0.7625
348 D3Y 0.407767 0.792208
349 GSP 0.407767 0.851852
350 9GM 0.407767 0.873418
351 GNP 0.407767 0.873418
352 G2P 0.407767 0.910256
353 CC5 0.407407 0.819444
354 KB1 0.407407 0.702381
355 N01 0.406504 0.881579
356 A C A C 0.406504 0.82716
357 SCO 0.40625 0.825581
358 CMX 0.40625 0.825581
359 HDV 0.405941 0.87013
360 CMP 0.404255 0.876712
361 2BA 0.404255 0.890411
362 ACO 0.403101 0.797753
363 FAM 0.403101 0.806818
364 2VA 0.402062 0.779221
365 3NZ 0.401869 0.78481
366 HAX 0.4 0.806818
367 QQX 0.4 0.78481
368 26A 0.4 0.74359
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: 149
This union binding pocket(no: 1) in the query (biounit: 3hxu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4RD0 GDP 1.20482
2 4YDQ HFG 1.36054
3 4YDQ ANP 1.36054
4 2E4G TRP 1.36054
5 5KJW 53C 1.40515
6 3E9I XAH 1.5873
7 1MJT ITU 1.72911
8 5VAD 91Y 1.81406
9 5VAD PRO 1.81406
10 6E1Q CFA 1.81406
11 5O9W AKG 1.90736
12 3MF2 AMP 2.02312
13 2H12 OAA 2.06422
14 1X54 4AD 2.07373
15 3E7S AT2 2.08817
16 2QPU QPU 2.22222
17 1QHO MAL 2.26757
18 3A5Y KAA 2.31884
19 12AS AMP 2.42424
20 4CM9 YGL 2.43056
21 6F1J EDG 2.46154
22 5VKM GAL SIA 2.46914
23 2J3M PRI 2.49433
24 2J3M ATP 2.49433
25 1WLE SRP 2.49433
26 1E1O LYS 2.49433
27 3SAO DBH 2.5
28 3A5Z KAA 2.6178
29 4HWT 1B2 2.66344
30 4RF7 ARG 2.72109
31 1G51 AMO 2.75862
32 3G1Z AMP 2.76074
33 4ZTD ALA GLY ALA GLY ALA 2.7668
34 2JLD AG1 2.85714
35 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 2.85714
36 1GJW GLC 2.94785
37 3R6K FUC GAL GLA 2.95082
38 2FN1 PYR 2.97483
39 4IEN GDP 3.06748
40 4DFU QUE 3.10559
41 5LUN OGA 3.125
42 1B7Y FYA 3.1746
43 2I4O ATP 3.1746
44 5G48 1FL 3.20856
45 2XGT NSS 3.21839
46 1SS4 GSH 3.26797
47 3QSB 743 3.27869
48 4MOB ADP 3.31325
49 2BVE PH5 3.36134
50 1I7E IBS 3.39623
51 3REU ATP 3.40136
52 5XIJ ANP 3.40136
53 5XIJ 873 3.40136
54 4ZDM GLY 3.44828
55 3MEH THP 3.4965
56 3CBC DBS 3.53535
57 3QPB URA 3.5461
58 3TEG DAH 3.61446
59 5XIO ANP 3.62812
60 5XIO HFG 3.62812
61 4H2V AMP 3.63636
62 4CS4 ANP 3.64964
63 4CS4 AXZ 3.64964
64 5EOO CIT 3.77358
65 1GT4 UNA 3.77358
66 4BTV RB3 3.77907
67 5F6U 5VK 3.82166
68 3KVY URA 3.8835
69 2WMC MGP 3.93258
70 4HNN LYS 4.04624
71 1LSH PLD 4.07523
72 3BJU ATP 4.08163
73 4YRI 4JH 4.08163
74 2VL1 GLY GLY 4.08163
75 2G36 TRP 4.11765
76 2QHS OCA 4.21941
77 3QO8 SSA 4.30839
78 2AGC DAO 4.32099
79 3QRC SCR 4.4586
80 3AKI AH8 4.53515
81 2PNC CLU 4.53515
82 1F9V ADP 4.61095
83 4DZ1 DAL 4.6332
84 5DYO FLU 4.71698
85 2CJ9 SSA 4.7619
86 2CJA ATP 4.7619
87 2QHV OC9 4.7619
88 3UEC ALA ARG TPO LYS 4.79452
89 3LL5 IPE 4.81928
90 3LL5 ADP 4.81928
91 3GD8 GOL 4.93274
92 1VRP ADP 4.98688
93 3IAL PR8 5.21542
94 3UH0 TSB 5.21542
95 5FPE 3TR 5.42636
96 4C2C ALA ALA ALA 5.44218
97 1SES AHX 5.46318
98 1SES AMP 5.46318
99 1L7P SEP 5.6872
100 1UPR 4IP 5.69106
101 4H2X G5A 5.82524
102 4H2W AMP 5.82524
103 4H2W 5GP 5.82524
104 3ERR AMP 6.12245
105 3NEM AMO 6.16438
106 3NEM ATP 6.16438
107 3QXV MTX 6.34921
108 3H0L ADP 6.38298
109 6GNO XDI 6.66667
110 5H4S RAM 6.69014
111 3G2Y GF4 6.84411
112 2YKL NLD 7.07547
113 5YJS SAL 7.17949
114 3T4L ZEA 7.40741
115 6DW2 HD4 7.45098
116 1DCP HBI 7.69231
117 4K55 H6P 8.06452
118 5CIC 51R 8.33333
119 4WOE ADP 8.39002
120 3BIB PSF 8.62069
121 1M5W DXP 8.64198
122 2ART LPA AMP 8.77863
123 1UNQ 4IP 8.8
124 2Z3U CRR 8.94118
125 5D9G GLU ASN LEU TYR PHE GLN 8.94309
126 3PNA CMP 9.09091
127 2AG4 OLA 9.14634
128 5HWV MBN 9.23077
129 3TW1 AHN 9.2827
130 5VM6 9EG 9.48905
131 1PVS 7HP 9.57447
132 4HWS 1B3 9.73236
133 5WL1 CUY 10.101
134 5WL1 D3D 10.101
135 2HJ4 PNZ 10.3704
136 2RBK VN4 11.1111
137 1I7Q PYR 11.1111
138 4NPL AKG 11.2
139 3VMG 9CA 11.3043
140 4IAW LIZ 11.7021
141 1ECM TSA 11.9266
142 5F7U GLC GLC 12.2449
143 4V1F BQ1 12.7907
144 3ZXE PGZ 14.2857
145 3HCH RSM 14.3836
146 6FA4 D1W 14.4509
147 1UY4 XYP XYP XYP XYP 14.4828
148 4OGQ 7PH 14.7059
149 4OCT AKG 16.6667
APoc FAQ
Feedback