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 3 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 3 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 (10)
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 1YFS - ALA C3 H7 N O2 C[C@@H](C(....
9 1YGB - SER C3 H7 N O3 C([C@@H](C....
10 1YFT - GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5AL; Similar ligands found: 346
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 PTJ 0.752809 0.934211
12 NB8 0.752809 0.909091
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 AP5 0.725 0.931507
19 ADP 0.725 0.931507
20 B4P 0.725 0.931507
21 DLL 0.719101 0.972222
22 TXA 0.714286 0.972603
23 AMP 0.714286 0.930556
24 A 0.714286 0.930556
25 PRX 0.710843 0.906667
26 ABM 0.708861 0.931507
27 ADX 0.707317 0.839506
28 ATP 0.698795 0.931507
29 ACP 0.698795 0.906667
30 50T 0.698795 0.893333
31 OOB 0.696629 0.972222
32 YLP 0.693878 0.876543
33 AQP 0.690476 0.931507
34 AR6 0.690476 0.958333
35 5FA 0.690476 0.931507
36 APR 0.690476 0.958333
37 DAL AMP 0.685393 0.972222
38 PR8 0.684783 0.886076
39 AD9 0.682353 0.906667
40 AGS 0.682353 0.883117
41 SAP 0.682353 0.883117
42 AHX 0.681319 0.884615
43 00A 0.681319 0.921053
44 1ZZ 0.677419 0.898734
45 AMP MG 0.675 0.88
46 SON 0.674699 0.945946
47 3UK 0.673913 0.958904
48 YLC 0.673267 0.898734
49 YLB 0.673267 0.876543
50 AP2 0.670732 0.894737
51 A12 0.670732 0.894737
52 ANP 0.666667 0.906667
53 WAQ 0.666667 0.921053
54 ACQ 0.666667 0.906667
55 TYM 0.663366 0.945946
56 SRA 0.6625 0.881579
57 OAD 0.655914 0.986111
58 A1R 0.652174 0.871795
59 ATF 0.651685 0.894737
60 GAP 0.647727 0.932432
61 AYB 0.647619 0.865854
62 AU1 0.647059 0.906667
63 9SN 0.645833 0.909091
64 4UV 0.642857 0.933333
65 3OD 0.642105 0.986111
66 5SV 0.641304 0.860759
67 YLA 0.638095 0.853659
68 A5A 0.633333 0.841463
69 XAH 0.632653 0.851852
70 APC 0.632184 0.894737
71 A22 0.630435 0.918919
72 4UU 0.63 0.933333
73 TAT 0.629214 0.894737
74 ADP MG 0.627907 0.893333
75 FYA 0.625 0.893333
76 RBY 0.625 0.92
77 ADV 0.625 0.92
78 25A 0.623656 0.931507
79 4UW 0.621359 0.922078
80 BEF ADP 0.62069 0.87013
81 ADP BEF 0.62069 0.87013
82 ADQ 0.617021 0.932432
83 TSB 0.612903 0.831325
84 48N 0.61165 0.934211
85 YLY 0.607143 0.865854
86 ADP PO3 0.606742 0.930556
87 VMS 0.602151 0.821429
88 54H 0.602151 0.821429
89 LAQ 0.601942 0.875
90 ATP MG 0.6 0.893333
91 BIS 0.591837 0.871795
92 25L 0.585859 0.918919
93 MYR AMP 0.585859 0.875
94 TYR AMP 0.584158 0.92
95 LSS 0.583333 0.793103
96 IOT 0.583333 0.843373
97 ADP ALF 0.580645 0.858974
98 ALF ADP 0.580645 0.858974
99 AP0 0.579439 0.884615
100 MAP 0.578947 0.883117
101 53H 0.578947 0.811765
102 N0B 0.577586 0.853659
103 NAI 0.575472 0.896104
104 TXD 0.575472 0.896104
105 ANP MG 0.574468 0.883117
106 VO4 ADP 0.574468 0.918919
107 ADP VO4 0.574468 0.918919
108 SSA 0.574468 0.790698
109 G3A 0.572816 0.884615
110 OMR 0.570093 0.8875
111 TXE 0.570093 0.896104
112 52H 0.568421 0.811765
113 5AS 0.568182 0.790698
114 AFH 0.567308 0.873418
115 G5P 0.567308 0.884615
116 5CA 0.5625 0.790698
117 GTA 0.561905 0.875
118 NXX 0.560748 0.945946
119 NAX 0.560748 0.8625
120 6V0 0.560748 0.884615
121 DND 0.560748 0.945946
122 2A5 0.56044 0.857143
123 RAB 0.558442 0.808219
124 ADN 0.558442 0.808219
125 XYA 0.558442 0.808219
126 AOC 0.55814 0.810811
127 5CD 0.556962 0.794521
128 ARG AMP 0.556604 0.841463
129 LEU LMS 0.555556 0.793103
130 7MD 0.552381 0.875
131 DSZ 0.55102 0.811765
132 COD 0.548673 0.823529
133 G5A 0.548387 0.790698
134 TAD 0.54717 0.873418
135 NVA LMS 0.545455 0.793103
136 CNA 0.544643 0.92
137 JB6 0.544554 0.871795
138 5N5 0.544304 0.783784
139 BT5 0.54386 0.843373
140 ADP BMA 0.54 0.906667
141 M24 0.538462 0.886076
142 A4D 0.5375 0.783784
143 EP4 0.536585 0.766234
144 7D5 0.535714 0.842105
145 T5A 0.535714 0.853659
146 NSS 0.535354 0.790698
147 GSU 0.534653 0.811765
148 A A 0.534653 0.905405
149 KAA 0.534653 0.764045
150 AMP DBH 0.533333 0.881579
151 5X8 0.532609 0.8
152 UP5 0.53211 0.907895
153 M2T 0.53012 0.746835
154 DTA 0.53012 0.776316
155 3DH 0.529412 0.786667
156 NAQ 0.529412 0.909091
157 7D3 0.52809 0.844156
158 AHZ 0.527778 0.875
159 ALF ADP 3PG 0.527273 0.873418
160 LA8 ALF 3PG 0.527273 0.873418
161 AF3 ADP 3PG 0.527273 0.873418
162 A3D 0.525862 0.958904
163 SMM 0.525773 0.738095
164 YSA 0.52381 0.790698
165 MTA 0.52381 0.786667
166 LPA AMP 0.522936 0.851852
167 UPA 0.522523 0.896104
168 7MC 0.522523 0.876543
169 4TC 0.522523 0.884615
170 A3P 0.522222 0.930556
171 ADJ 0.522124 0.841463
172 7D4 0.521739 0.844156
173 NAD 0.521739 0.945205
174 ATR 0.521277 0.90411
175 PAP 0.521277 0.917808
176 SA8 0.521277 0.7625
177 EEM 0.520833 0.743902
178 P5A 0.519608 0.755556
179 A4P 0.517857 0.811765
180 SFG 0.516129 0.786667
181 ATP A A A 0.514286 0.917808
182 NAD IBO 0.513043 0.907895
183 6RE 0.511364 0.728395
184 SAM 0.510417 0.743902
185 139 0.508772 0.8625
186 NAE 0.508333 0.933333
187 3AM 0.505747 0.890411
188 A2P 0.505495 0.916667
189 ITT 0.505376 0.878378
190 PPS 0.505155 0.817073
191 6AD 0.505155 0.873418
192 A2R 0.50505 0.945205
193 DZD 0.504274 0.873418
194 EAD 0.504065 0.886076
195 A3T 0.5 0.835616
196 ARU 0.5 0.82716
197 SAH 0.5 0.779221
198 SAI 0.5 0.769231
199 ZID 0.5 0.932432
200 J7C 0.5 0.7375
201 BTX 0.495726 0.831325
202 AR6 AR6 0.495413 0.931507
203 S7M 0.494949 0.743902
204 S4M 0.494505 0.678161
205 FB0 0.492188 0.795455
206 MAO 0.48913 0.771084
207 P1H 0.488189 0.864198
208 WSA 0.486726 0.8
209 A3N 0.483516 0.753247
210 IMO 0.483516 0.890411
211 NAJ PZO 0.483333 0.860759
212 ZAS 0.483146 0.75641
213 GEK 0.480392 0.772152
214 6IA 0.479592 0.82716
215 V3L 0.479592 0.958333
216 A3S 0.478723 0.8
217 GJV 0.478261 0.719512
218 2AM 0.477273 0.878378
219 NDE 0.476562 0.92
220 0UM 0.475728 0.753086
221 5AD 0.475 0.760563
222 7C5 0.472727 0.831169
223 A3G 0.472527 0.789474
224 NEC 0.472527 0.76
225 DSH 0.472527 0.716049
226 62X 0.471154 0.717647
227 2SA 0.47 0.92
228 2VA 0.46875 0.813333
229 K15 0.466667 0.73494
230 NA7 0.466667 0.894737
231 3AT 0.464646 0.905405
232 AMP NAD 0.464 0.945946
233 A7D 0.463158 0.766234
234 NJP 0.462185 0.907895
235 OVE 0.461538 0.844156
236 FNK 0.459854 0.795455
237 A5D 0.459184 0.776316
238 G A A A 0.458333 0.860759
239 4TA 0.458333 0.841463
240 MHZ 0.458333 0.709302
241 0WD 0.458333 0.884615
242 NDC 0.458015 0.884615
243 SXZ 0.457944 0.765432
244 NAJ PYZ 0.456 0.8625
245 AV2 0.455446 0.855263
246 SO8 0.454545 0.802632
247 DAT 0.453608 0.844156
248 Y3J 0.452381 0.716216
249 AVV 0.451923 0.860759
250 4YB 0.451327 0.793103
251 7D7 0.451219 0.733333
252 FDA 0.451128 0.823529
253 DTP 0.45 0.844156
254 AMZ 0.449438 0.878378
255 C2R 0.449438 0.891892
256 6FA 0.447761 0.853659
257 AAT 0.445545 0.698795
258 NDP 0.445378 0.884615
259 PGS 0.443299 0.825
260 U A G G 0.442623 0.871795
261 GGZ 0.442308 0.792683
262 71V 0.442105 0.848101
263 NZQ 0.441667 0.873418
264 TXP 0.441667 0.884615
265 FAS 0.441176 0.864198
266 FAD 0.441176 0.864198
267 SFD 0.441176 0.744681
268 KB1 0.440367 0.731707
269 VRT 0.44 0.782051
270 6C6 0.44 0.846154
271 KH3 0.438596 0.72619
272 ODP 0.438017 0.873418
273 649 0.435897 0.755556
274 3NZ 0.435185 0.794872
275 NPW 0.433333 0.851852
276 ETB 0.432 0.823529
277 DCA 0.432 0.813953
278 NVA 2AD 0.43 0.75641
279 N6P 0.429907 0.876712
280 D3Y 0.428571 0.779221
281 62F 0.428571 0.851852
282 COS 0.426357 0.795455
283 Z5A 0.426357 0.811765
284 A A A 0.425926 0.893333
285 A6D 0.425926 0.714286
286 PO4 PO4 A A A A PO4 0.425926 0.890411
287 DA 0.425532 0.842105
288 FAY 0.425532 0.875
289 D5M 0.425532 0.842105
290 COA 0.425197 0.813953
291 0T1 0.425197 0.813953
292 P5F 0.424658 0.835294
293 6K6 0.424528 0.891892
294 S8M 0.424528 0.75
295 NIA 0.423913 0.790123
296 RFL 0.422535 0.833333
297 AAM 0.421053 0.930556
298 FAI 0.421053 0.878378
299 F2N 0.418919 0.804598
300 7DD 0.418367 0.917808
301 1DG 0.415385 0.884615
302 DG1 0.415385 0.884615
303 CAO 0.415385 0.786517
304 30N 0.415385 0.744681
305 AMX 0.415385 0.823529
306 V1N 0.412281 0.931507
307 CMX 0.412214 0.835294
308 SCO 0.412214 0.835294
309 NA0 0.412214 0.945946
310 XNP 0.41129 0.839506
311 7RP 0.410526 0.888889
312 MCD 0.410448 0.816092
313 FAM 0.409091 0.795455
314 ACO 0.409091 0.786517
315 FCX 0.409091 0.806818
316 AIR 0.409091 0.863014
317 26A 0.409091 0.753247
318 DDS 0.407767 0.818182
319 NAP 0.407692 0.932432
320 CO6 0.407407 0.795455
321 RGT 0.40708 0.92
322 FA9 0.406667 0.853659
323 HAX 0.406015 0.795455
324 7DT 0.405941 0.917808
325 ANZ 0.405172 0.768293
326 A U 0.404959 0.883117
327 APU 0.404959 0.883117
328 PLP AAD 0.404762 0.752809
329 J7V 0.40458 0.845238
330 2MC 0.404412 0.76087
331 NAD BBN 0.404255 0.831325
332 GNH 0.403846 0.871795
333 FYN 0.402985 0.813953
334 3KK 0.402985 0.795455
335 N01 0.401575 0.945205
336 SLU 0.401575 0.781609
337 IVC 0.40146 0.804598
338 A1S 0.40146 0.795455
339 3HC 0.40146 0.804598
340 101 0.4 0.842105
341 SOP 0.4 0.795455
342 NMN AMP PO4 0.4 0.883117
343 OXK 0.4 0.816092
344 CA6 0.4 0.721649
345 NHD 0.4 0.918919
346 COK 0.4 0.795455
Ligand no: 2; Ligand: ACP; Similar ligands found: 351
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 AP5 0.821918 0.945205
6 ADP 0.821918 0.972222
7 B4P 0.821918 0.945205
8 AN2 0.810811 0.958904
9 AP2 0.808219 0.986301
10 A12 0.808219 0.986301
11 M33 0.8 0.932432
12 ATP 0.789474 0.972222
13 5FA 0.779221 0.972222
14 AQP 0.779221 0.972222
15 AR6 0.779221 0.945205
16 APR 0.779221 0.945205
17 AGS 0.769231 0.921053
18 SAP 0.769231 0.921053
19 AD9 0.769231 0.945946
20 A 0.763889 0.944444
21 AMP 0.763889 0.944444
22 APC 0.75641 0.986301
23 CA0 0.753247 0.92
24 ADX 0.753247 0.851852
25 ANP 0.75 0.945946
26 50T 0.74359 0.932432
27 PRX 0.734177 0.87013
28 ABM 0.733333 0.893333
29 ATF 0.731707 0.933333
30 AMP MG 0.72 0.868421
31 SRA 0.706667 0.894737
32 A22 0.705882 0.958904
33 RBY 0.703704 0.959459
34 ADV 0.703704 0.959459
35 5AL 0.698795 0.906667
36 ADQ 0.689655 0.92
37 A1R 0.689655 0.909091
38 AU1 0.6875 0.945946
39 ADP MG 0.6875 0.881579
40 TAT 0.686747 0.933333
41 SRP 0.682353 0.907895
42 BEF ADP 0.679012 0.858974
43 ADP BEF 0.679012 0.858974
44 OAD 0.674157 0.92
45 4TC 0.673469 0.922078
46 4AD 0.670455 0.921053
47 AMO 0.670455 0.933333
48 00A 0.662921 0.860759
49 ADP PO3 0.662651 0.917808
50 3OD 0.659341 0.92
51 BIS 0.659341 0.909091
52 25A 0.659091 0.945205
53 8QN 0.659091 0.906667
54 5SV 0.659091 0.82716
55 OOB 0.659091 0.906667
56 ATP MG 0.654762 0.881579
57 SON 0.654321 0.933333
58 25L 0.652174 0.958904
59 PAJ 0.651685 0.8625
60 DLL 0.644444 0.906667
61 AHX 0.644444 0.897436
62 TXA 0.641304 0.907895
63 3UK 0.637363 0.894737
64 ADP ALF 0.632184 0.848101
65 ALF ADP 0.632184 0.848101
66 WAQ 0.630435 0.884615
67 LAD 0.630435 0.8625
68 PR8 0.630435 0.851852
69 MAP 0.629214 0.921053
70 GAP 0.627907 0.87013
71 ANP MG 0.625 0.871795
72 ADP VO4 0.625 0.906667
73 VO4 ADP 0.625 0.906667
74 ME8 0.623656 0.841463
75 PTJ 0.623656 0.873418
76 NB8 0.623656 0.897436
77 1ZZ 0.623656 0.819277
78 FYA 0.623656 0.906667
79 UP5 0.62 0.896104
80 G3A 0.618557 0.897436
81 AFH 0.612245 0.886076
82 G5P 0.612245 0.897436
83 9SN 0.610526 0.85
84 GTA 0.606061 0.864198
85 YAP 0.604167 0.896104
86 FA5 0.604167 0.907895
87 TXD 0.60396 0.884615
88 XAH 0.597938 0.841463
89 XYA 0.597222 0.821918
90 ADN 0.597222 0.821918
91 RAB 0.597222 0.821918
92 48N 0.594059 0.897436
93 DAL AMP 0.593407 0.881579
94 2A5 0.593023 0.92
95 AOC 0.592593 0.8
96 4UV 0.591837 0.871795
97 NAI 0.588235 0.884615
98 NXX 0.588235 0.907895
99 NAX 0.588235 0.875
100 DND 0.588235 0.907895
101 6V0 0.588235 0.873418
102 ATR 0.586207 0.944444
103 PAP 0.586207 0.958333
104 ADP BMA 0.585106 0.894737
105 LAQ 0.584158 0.819277
106 5AS 0.583333 0.761364
107 TXE 0.582524 0.884615
108 OMR 0.582524 0.831325
109 5N5 0.581081 0.797297
110 4UU 0.58 0.871795
111 A A 0.578947 0.918919
112 7D3 0.578313 0.881579
113 AP0 0.576923 0.873418
114 A4D 0.573333 0.797297
115 5CD 0.573333 0.783784
116 JB6 0.572917 0.884615
117 4UW 0.572816 0.839506
118 A4P 0.571429 0.823529
119 CNA 0.570093 0.907895
120 7D4 0.569767 0.881579
121 ITT 0.569767 0.917808
122 A2R 0.565217 0.958904
123 M2T 0.564103 0.716049
124 YLP 0.563107 0.821429
125 139 0.560748 0.851852
126 ADJ 0.560748 0.831325
127 T5A 0.560748 0.843373
128 TAD 0.558824 0.910256
129 ATP A A A 0.555556 0.905405
130 A3P 0.552941 0.944444
131 TYM 0.552381 0.907895
132 IOT 0.551402 0.833333
133 EP4 0.551282 0.734177
134 MYR AMP 0.55102 0.797619
135 7D5 0.55 0.855263
136 A3D 0.54955 0.894737
137 GCP 0.548387 0.922078
138 YLC 0.54717 0.841463
139 YLB 0.54717 0.821429
140 UPA 0.54717 0.884615
141 NAD 0.545455 0.906667
142 COD 0.545455 0.813953
143 G5A 0.544444 0.781609
144 DTA 0.544304 0.766234
145 3DH 0.54321 0.753247
146 DZD 0.540541 0.910256
147 AHZ 0.538462 0.797619
148 MTA 0.5375 0.753247
149 3AM 0.536585 0.90411
150 A2P 0.534884 0.930556
151 TYR AMP 0.534653 0.858974
152 AR6 AR6 0.533981 0.893333
153 6AD 0.532609 0.886076
154 PPS 0.532609 0.851852
155 YLA 0.53211 0.821429
156 AMP DBH 0.529412 0.87013
157 AYB 0.527273 0.811765
158 A5A 0.526882 0.788235
159 TSB 0.526316 0.8
160 6RE 0.52381 0.7625
161 S4M 0.523256 0.670455
162 SSA 0.521277 0.802326
163 NA7 0.520408 0.959459
164 7MD 0.519231 0.864198
165 LPA AMP 0.518868 0.797619
166 BTX 0.517857 0.843373
167 NAE 0.517241 0.871795
168 52H 0.515789 0.761364
169 54H 0.515789 0.770115
170 VMS 0.515789 0.770115
171 BT5 0.513274 0.833333
172 NAQ 0.512821 0.85
173 ZAS 0.511905 0.746835
174 J7C 0.511628 0.772152
175 A3N 0.511628 0.766234
176 IMO 0.511628 0.90411
177 AV2 0.510638 0.893333
178 53H 0.510417 0.761364
179 5CA 0.510417 0.802326
180 ARU 0.510204 0.839506
181 ARG AMP 0.509434 0.831325
182 ALF ADP 3PG 0.509259 0.839506
183 AF3 ADP 3PG 0.509259 0.839506
184 LA8 ALF 3PG 0.509259 0.839506
185 M24 0.508621 0.829268
186 ZID 0.508475 0.894737
187 2AM 0.506024 0.917808
188 V3L 0.505376 0.945205
189 3AT 0.505376 0.972222
190 AVV 0.505155 0.897436
191 MAO 0.5 0.761905
192 LSS 0.5 0.764045
193 NSS 0.5 0.802326
194 DSZ 0.5 0.802326
195 EAD 0.5 0.851852
196 DSH 0.5 0.728395
197 P5A 0.5 0.747253
198 YLY 0.495726 0.811765
199 NVA LMS 0.494949 0.744444
200 5X8 0.494505 0.766234
201 DAT 0.494505 0.906667
202 7MC 0.490909 0.843373
203 LEU LMS 0.49 0.744444
204 SMM 0.489583 0.689655
205 SAM 0.489362 0.694118
206 DTP 0.489362 0.906667
207 7DD 0.488889 0.958333
208 GJV 0.488636 0.753086
209 OVE 0.488372 0.881579
210 5AD 0.486842 0.726027
211 KAA 0.485149 0.755556
212 GSU 0.485149 0.781609
213 P1H 0.483871 0.831325
214 NDE 0.483871 0.907895
215 N0B 0.483333 0.821429
216 A3G 0.482759 0.802632
217 NAD IBO 0.482456 0.848101
218 NAJ PZO 0.478632 0.82716
219 4TA 0.478261 0.809524
220 SFG 0.478261 0.753247
221 YSA 0.47619 0.781609
222 FB0 0.47619 0.827586
223 NDC 0.47619 0.85
224 7DT 0.473118 0.958333
225 A7D 0.472527 0.779221
226 NJP 0.469565 0.921053
227 FDA 0.46875 0.835294
228 A5D 0.468085 0.766234
229 SA8 0.468085 0.710843
230 MHZ 0.467391 0.701149
231 71V 0.466667 0.884615
232 0WD 0.465517 0.897436
233 G A A A 0.465517 0.85
234 6FA 0.465116 0.843373
235 GGZ 0.464646 0.804878
236 SAH 0.463158 0.746835
237 6C6 0.463158 0.883117
238 SAI 0.463158 0.7375
239 NAJ PYZ 0.46281 0.829268
240 Y3J 0.4625 0.706667
241 7D7 0.461538 0.723684
242 TXP 0.46087 0.897436
243 PO4 PO4 A A A A PO4 0.460784 0.878378
244 S7M 0.459184 0.694118
245 AMP NAD 0.459016 0.858974
246 6IA 0.458333 0.839506
247 DDS 0.458333 0.855263
248 FAD 0.458015 0.853659
249 SFD 0.458015 0.736842
250 FAS 0.458015 0.853659
251 ODP 0.456897 0.886076
252 A3S 0.456522 0.813333
253 7C5 0.453704 0.797468
254 AAT 0.453608 0.710843
255 EEM 0.453608 0.694118
256 RGT 0.45283 0.933333
257 NPW 0.452174 0.8875
258 NDP 0.452174 0.897436
259 FAY 0.451852 0.864198
260 PGS 0.451613 0.860759
261 D5M 0.449438 0.88
262 DA 0.449438 0.88
263 NEC 0.449438 0.727273
264 U A G G 0.449153 0.860759
265 2SA 0.44898 0.933333
266 NIA 0.448276 0.802469
267 NZQ 0.448276 0.910256
268 A U 0.447368 0.848101
269 A3T 0.446809 0.8
270 A A A 0.446602 0.906667
271 128 0.446429 0.758621
272 6K6 0.445545 0.905405
273 GEK 0.445545 0.740741
274 4YB 0.445455 0.764045
275 AAM 0.444444 0.944444
276 FNK 0.444444 0.806818
277 62F 0.444444 0.864198
278 Z5A 0.443548 0.761364
279 WSA 0.442478 0.790698
280 AMZ 0.44186 0.891892
281 C2R 0.44186 0.88
282 12D 0.441441 0.767442
283 XNP 0.440678 0.851852
284 RFL 0.437956 0.823529
285 N6P 0.436893 0.890411
286 62X 0.436893 0.670455
287 AIR 0.433735 0.876712
288 PLP AAD 0.433333 0.725275
289 GP3 0.43299 0.897436
290 A6D 0.432692 0.705882
291 V1N 0.431193 0.893333
292 649 0.429825 0.747253
293 GP2 0.428571 0.910256
294 NA0 0.428571 0.907895
295 GDP 0.428571 0.896104
296 0UM 0.427184 0.702381
297 DCA 0.42623 0.825581
298 ETB 0.42623 0.835294
299 GNH 0.424242 0.884615
300 NAP 0.424 0.92
301 PUA 0.422764 0.8625
302 APU 0.422414 0.871795
303 101 0.422222 0.855263
304 3AD 0.421687 0.808219
305 FA9 0.42069 0.865854
306 TAP 0.420635 0.884615
307 TM1 0.420561 0.755814
308 P5F 0.41958 0.825581
309 0T1 0.419355 0.825581
310 COA 0.419355 0.825581
311 K15 0.419048 0.686047
312 7RP 0.417582 0.902778
313 S8M 0.417476 0.7625
314 NHD 0.416667 0.881579
315 GTP 0.415842 0.896104
316 FCX 0.414062 0.797753
317 F2N 0.413793 0.816092
318 AS 0.413043 0.835443
319 7RA 0.413043 0.931507
320 G1R 0.411765 0.884615
321 SXZ 0.411215 0.714286
322 QQY 0.411111 0.794872
323 ACK 0.411111 0.837838
324 AMX 0.409449 0.835294
325 30N 0.409449 0.755319
326 CAO 0.409449 0.797753
327 J7V 0.409449 0.813953
328 COS 0.409449 0.806818
329 1DG 0.409449 0.897436
330 DG1 0.409449 0.897436
331 NAD BBN 0.408759 0.821429
332 8BR 0.408602 0.883117
333 GNP 0.407767 0.873418
334 GSP 0.407767 0.851852
335 D3Y 0.407767 0.792208
336 G2P 0.407767 0.910256
337 CC5 0.407407 0.819444
338 KB1 0.407407 0.702381
339 N01 0.406504 0.881579
340 CMX 0.40625 0.825581
341 SCO 0.40625 0.825581
342 CMP 0.404255 0.876712
343 2BA 0.404255 0.890411
344 ACO 0.403101 0.797753
345 FAM 0.403101 0.806818
346 NAD CJ3 0.402878 0.793103
347 2VA 0.402062 0.779221
348 3NZ 0.401869 0.78481
349 26A 0.4 0.74359
350 HAX 0.4 0.806818
351 QQX 0.4 0.78481
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HXU; Ligand: A5A; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 3hxu.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E9I XAH 0.00000001755 0.64247 1.5873
2 5VAD 91Y 0.000004486 0.46666 1.81406
3 5VAD PRO 0.001877 0.44312 1.81406
4 3MF2 AMP 0.00000007405 0.60063 2.02312
5 1X54 4AD 0.00000001906 0.63063 2.07373
6 3E7S AT2 0.03037 0.40163 2.08817
7 3A5Y KAA 0.000000005653 0.65257 2.31884
8 12AS AMP 0.00000126 0.55955 2.42424
9 2J3M PRI 0.00000001957 0.62733 2.49433
10 2J3M ATP 0.00000002106 0.62308 2.49433
11 1E1O LYS 0.0000003228 0.58201 2.49433
12 1WLE SRP 0.0000001477 0.5657 2.49433
13 3A5Z KAA 0.00000000175 0.67668 2.6178
14 4HWT 1B2 0.0002957 0.43893 2.66344
15 1G51 AMO 0.0000001371 0.59999 2.75862
16 3G1Z AMP 0.000000001555 0.58352 2.76074
17 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.02867 0.40473 2.85714
18 5LUN OGA 0.01772 0.40486 3.125
19 1B7Y FYA 0.000002171 0.54744 3.1746
20 2I4O ATP 0.00000007703 0.52877 3.1746
21 2XGT NSS 0.000000005489 0.65868 3.21839
22 1SS4 GSH 0.000599 0.45715 3.26797
23 3REU ATP 0.00000001389 0.59393 3.40136
24 3MEH THP 0.01487 0.40472 3.4965
25 3TEG DAH 0.0009069 0.42818 3.61446
26 4H2V AMP 0.00000004061 0.60371 3.63636
27 4CS4 AXZ 0.00000003727 0.6556 3.64964
28 4CS4 ANP 0.00000002596 0.65214 3.64964
29 5EOO CIT 0.02028 0.41752 3.77358
30 5F6U 5VK 0.009324 0.41775 3.82166
31 2WMC MGP 0.005452 0.43849 3.93258
32 3BJU ATP 0.00000008173 0.54583 4.08163
33 4GID 0GH 0.02465 0.42225 4.12371
34 3QO8 SSA 0.0000004879 0.60227 4.30839
35 4DZ1 DAL 0.005931 0.44132 4.6332
36 2CJ9 SSA 0.00000004493 0.58768 4.7619
37 2CJA ATP 0.000009158 0.48843 4.7619
38 2QHV OC9 0.005412 0.4349 4.7619
39 3LL5 IPE 0.0115 0.40182 4.81928
40 3LL5 ADP 0.01194 0.40112 4.81928
41 3IAL PR8 0.0000006128 0.56291 5.21542
42 3UH0 TSB 0.00001111 0.51348 5.21542
43 1SES AHX 0.0000003619 0.60819 5.46318
44 1SES AMP 0.0000341 0.54541 5.46318
45 1L7P SEP 0.02546 0.40093 5.6872
46 4H2X G5A 0.00000006813 0.6245 5.82524
47 4H2W AMP 0.0000001765 0.54524 5.82524
48 4H2W 5GP 0.000001175 0.52266 5.82524
49 3ERR AMP 0.00004007 0.45086 6.12245
50 3NEM AMO 0.00000002958 0.62538 6.16438
51 3NEM ATP 0.00000001191 0.55399 6.16438
52 3T4L ZEA 0.001646 0.40623 7.40741
53 4WOE ADP 0.001394 0.47314 8.39002
54 5D9G GLU ASN LEU TYR PHE GLN 0.02504 0.40129 8.94309
55 3PNA CMP 0.02105 0.40512 9.09091
56 4HWS 1B3 0.00001791 0.43095 9.73236
57 5L2J 70E 0.002909 0.4526 10.2041
58 5L2J 6UL 0.002719 0.4526 10.2041
59 3VMG 9CA 0.009018 0.41516 11.3043
60 5F7U GLC GLC 0.01222 0.41964 12.2449
61 1UY4 XYP XYP XYP XYP 0.01502 0.41271 14.4828
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