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 CC(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 3HXW - SSA C13 H19 N7 O8 S c1nc(c2c(n....
3 3HXZ - A5A C13 H19 N7 O7 S CC(C(=O)NS....
4 3HXV - G5A C12 H17 N7 O7 S c1nc(c2c(n....
5 3HXY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 3HY0 - G5A C12 H17 N7 O7 S c1nc(c2c(n....
7 3HXU - A5A C13 H19 N7 O7 S CC(C(=O)NS....
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 3HXW - SSA C13 H19 N7 O8 S c1nc(c2c(n....
3 3HXZ - A5A C13 H19 N7 O7 S CC(C(=O)NS....
4 3HXV - G5A C12 H17 N7 O7 S c1nc(c2c(n....
5 3HXY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 3HY0 - G5A C12 H17 N7 O7 S c1nc(c2c(n....
7 3HXU - A5A C13 H19 N7 O7 S CC(C(=O)NS....
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 1YGB - SER C3 H7 N O3 C(C(C(=O)O....
2 1YFS - ALA C3 H7 N O2 CC(C(=O)O)....
3 1YFT - GLY C2 H5 N O2 C(C(=O)O)N
4 3HXX - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
5 3HXW - SSA C13 H19 N7 O8 S c1nc(c2c(n....
6 3HXZ - A5A C13 H19 N7 O7 S CC(C(=O)NS....
7 3HXV - G5A C12 H17 N7 O7 S c1nc(c2c(n....
8 3HXY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
9 3HY0 - G5A C12 H17 N7 O7 S c1nc(c2c(n....
10 3HXU - A5A C13 H19 N7 O7 S CC(C(=O)NS....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5AL; Similar ligands found: 299
No: Ligand ECFP6 Tc MDL keys Tc
1 5AL 1 1
2 SRP 0.82716 0.945946
3 CA0 0.794872 0.958904
4 AMO 0.788235 0.945946
5 PAJ 0.788235 0.922078
6 ME8 0.772727 0.898734
7 4AD 0.767442 0.933333
8 LAD 0.761364 0.897436
9 A2D 0.753247 0.931507
10 NB8 0.752809 0.909091
11 PTJ 0.752809 0.934211
12 BA3 0.734177 0.931507
13 M33 0.728395 0.945205
14 YAP 0.728261 0.933333
15 FA5 0.728261 0.945946
16 B4P 0.725 0.931507
17 ADP 0.725 0.931507
18 AP5 0.725 0.931507
19 DLL 0.719101 0.972222
20 A 0.714286 0.930556
21 TXA 0.714286 0.972603
22 AMP 0.714286 0.930556
23 PRX 0.710843 0.906667
24 ABM 0.708861 0.931507
25 ADX 0.707317 0.839506
26 50T 0.698795 0.893333
27 ACP 0.698795 0.906667
28 ATP 0.698795 0.931507
29 YLP 0.693878 0.876543
30 APR 0.690476 0.958333
31 AQP 0.690476 0.931507
32 AR6 0.690476 0.958333
33 5FA 0.690476 0.931507
34 DAL AMP 0.685393 0.972222
35 PR8 0.684783 0.886076
36 SAP 0.682353 0.883117
37 AGS 0.682353 0.883117
38 AD9 0.682353 0.906667
39 AHX 0.681319 0.884615
40 00A 0.681319 0.921053
41 1ZZ 0.677419 0.898734
42 AMP MG 0.675 0.88
43 SON 0.674699 0.945946
44 YLB 0.673267 0.876543
45 YLC 0.673267 0.898734
46 A12 0.670732 0.894737
47 AP2 0.670732 0.894737
48 ANP 0.666667 0.906667
49 ACQ 0.666667 0.906667
50 TYM 0.663366 0.945946
51 SRA 0.6625 0.881579
52 OAD 0.655914 0.986111
53 A1R 0.652174 0.871795
54 ATF 0.651685 0.894737
55 GAP 0.647727 0.932432
56 AYB 0.647619 0.865854
57 AU1 0.647059 0.906667
58 3OD 0.642105 0.986111
59 YLA 0.638095 0.853659
60 A5A 0.633333 0.841463
61 XAH 0.632653 0.851852
62 APC 0.632184 0.894737
63 A22 0.630435 0.918919
64 TAT 0.629214 0.894737
65 ADP MG 0.627907 0.893333
66 RBY 0.625 0.92
67 FYA 0.625 0.893333
68 ADV 0.625 0.92
69 25A 0.623656 0.931507
70 ADP BEF 0.62069 0.87013
71 BEF ADP 0.62069 0.87013
72 ADQ 0.617021 0.932432
73 TSB 0.612903 0.831325
74 YLY 0.607143 0.865854
75 ADP PO3 0.606742 0.930556
76 VMS 0.602151 0.821429
77 54H 0.602151 0.821429
78 LAQ 0.601942 0.875
79 ATP MG 0.6 0.893333
80 BIS 0.591837 0.871795
81 25L 0.585859 0.918919
82 MYR AMP 0.585859 0.875
83 LSS 0.583333 0.793103
84 IOT 0.583333 0.843373
85 ALF ADP 0.580645 0.858974
86 ADP ALF 0.580645 0.858974
87 AP0 0.579439 0.884615
88 MAP 0.578947 0.883117
89 53H 0.578947 0.811765
90 N0B 0.577586 0.853659
91 NAI 0.575472 0.896104
92 TXD 0.575472 0.896104
93 ANP MG 0.574468 0.883117
94 SSA 0.574468 0.790698
95 ADP VO4 0.574468 0.918919
96 G3A 0.572816 0.884615
97 52H 0.568421 0.811765
98 5AS 0.568182 0.790698
99 G5P 0.567308 0.884615
100 AFH 0.567308 0.873418
101 5CA 0.5625 0.790698
102 GTA 0.561905 0.875
103 NAX 0.560748 0.8625
104 NXX 0.560748 0.945946
105 DND 0.560748 0.945946
106 2A5 0.56044 0.857143
107 XYA 0.558442 0.808219
108 ADN 0.558442 0.808219
109 RAB 0.558442 0.808219
110 AOC 0.55814 0.810811
111 5CD 0.556962 0.794521
112 LEU LMS 0.555556 0.793103
113 7MD 0.552381 0.875
114 DSZ 0.55102 0.811765
115 COD 0.548673 0.823529
116 G5A 0.548387 0.790698
117 TAD 0.54717 0.873418
118 NVA LMS 0.545455 0.793103
119 CNA 0.544643 0.92
120 5N5 0.544304 0.783784
121 BT5 0.54386 0.843373
122 ADP BMA 0.54 0.906667
123 M24 0.538462 0.886076
124 A4D 0.5375 0.783784
125 EP4 0.536585 0.766234
126 T5A 0.535714 0.853659
127 NSS 0.535354 0.790698
128 KAA 0.534653 0.764045
129 GSU 0.534653 0.811765
130 AMP DBH 0.533333 0.881579
131 UP5 0.53211 0.907895
132 DTA 0.53012 0.776316
133 M2T 0.53012 0.746835
134 NAQ 0.529412 0.909091
135 3DH 0.529412 0.786667
136 AHZ 0.527778 0.875
137 LA8 ALF 3PG 0.527273 0.873418
138 ALF ADP 3PG 0.527273 0.873418
139 AF3 ADP 3PG 0.527273 0.873418
140 A3D 0.525862 0.958904
141 SMM 0.525773 0.738095
142 YSA 0.52381 0.790698
143 MTA 0.52381 0.786667
144 LPA AMP 0.522936 0.851852
145 UPA 0.522523 0.896104
146 7MC 0.522523 0.876543
147 4TC 0.522523 0.884615
148 A3P 0.522222 0.930556
149 ADJ 0.522124 0.841463
150 NAD 0.521739 0.945205
151 SA8 0.521277 0.7625
152 ATR 0.521277 0.90411
153 PAP 0.521277 0.917808
154 EEM 0.520833 0.743902
155 P5A 0.519608 0.755556
156 A4P 0.517857 0.811765
157 SFG 0.516129 0.786667
158 ATP A A A 0.514286 0.917808
159 NAD IBO 0.513043 0.907895
160 SAM 0.510417 0.743902
161 139 0.508772 0.8625
162 NAE 0.508333 0.933333
163 3AM 0.505747 0.890411
164 A2P 0.505495 0.916667
165 ITT 0.505376 0.878378
166 PPS 0.505155 0.817073
167 6AD 0.505155 0.873418
168 A2R 0.50505 0.945205
169 DZD 0.504274 0.873418
170 EAD 0.504065 0.886076
171 A3T 0.5 0.835616
172 SAH 0.5 0.779221
173 ARU 0.5 0.82716
174 ZID 0.5 0.932432
175 SAI 0.5 0.769231
176 BTX 0.495726 0.831325
177 AR6 AR6 0.495413 0.931507
178 S7M 0.494949 0.743902
179 S4M 0.494505 0.678161
180 FB0 0.492188 0.795455
181 MAO 0.48913 0.771084
182 P1H 0.488189 0.864198
183 WSA 0.486726 0.8
184 IMO 0.483516 0.890411
185 A3N 0.483516 0.753247
186 NAJ PZO 0.483333 0.860759
187 ZAS 0.483146 0.75641
188 GEK 0.480392 0.772152
189 6IA 0.479592 0.82716
190 V3L 0.479592 0.958333
191 A3S 0.478723 0.8
192 2AM 0.477273 0.878378
193 NDE 0.476562 0.92
194 0UM 0.475728 0.753086
195 5AD 0.475 0.760563
196 NEC 0.472527 0.76
197 A3G 0.472527 0.789474
198 DSH 0.472527 0.716049
199 2SA 0.47 0.92
200 2VA 0.46875 0.813333
201 NA7 0.466667 0.894737
202 K15 0.466667 0.73494
203 3AT 0.464646 0.905405
204 AMP NAD 0.464 0.945946
205 A7D 0.463158 0.766234
206 NJP 0.462185 0.907895
207 OVE 0.461538 0.844156
208 FNK 0.459854 0.795455
209 A5D 0.459184 0.776316
210 G A A A 0.458333 0.860759
211 4TA 0.458333 0.841463
212 0WD 0.458333 0.884615
213 MHZ 0.458333 0.709302
214 NDC 0.458015 0.884615
215 NAJ PYZ 0.456 0.8625
216 AV2 0.455446 0.855263
217 DAT 0.453608 0.844156
218 AVV 0.451923 0.860759
219 FDA 0.451128 0.823529
220 DTP 0.45 0.844156
221 AMZ 0.449438 0.878378
222 C2R 0.449438 0.891892
223 6FA 0.447761 0.853659
224 AAT 0.445545 0.698795
225 NDP 0.445378 0.884615
226 PGS 0.443299 0.825
227 GGZ 0.442308 0.792683
228 PA7 0.442105 0.721519
229 NZQ 0.441667 0.873418
230 TXP 0.441667 0.884615
231 SFD 0.441176 0.744681
232 FAD 0.441176 0.864198
233 FAS 0.441176 0.864198
234 6C6 0.44 0.846154
235 KH3 0.438596 0.72619
236 ODP 0.438017 0.873418
237 3NZ 0.435185 0.794872
238 NPW 0.433333 0.851852
239 ETB 0.432 0.823529
240 DCA 0.432 0.813953
241 NVA 2AD 0.43 0.75641
242 N6P 0.429907 0.876712
243 D3Y 0.428571 0.779221
244 COS 0.426357 0.795455
245 Z5A 0.426357 0.811765
246 A6D 0.425926 0.714286
247 PO4 PO4 A A A A PO4 0.425926 0.890411
248 A A A 0.425926 0.893333
249 D5M 0.425532 0.842105
250 DA 0.425532 0.842105
251 FAY 0.425532 0.875
252 COA 0.425197 0.813953
253 P5F 0.424658 0.835294
254 6K6 0.424528 0.891892
255 NIA 0.423913 0.790123
256 RFL 0.422535 0.833333
257 FAI 0.421053 0.878378
258 AAM 0.421053 0.930556
259 F2N 0.418919 0.804598
260 DG1 0.415385 0.884615
261 AMX 0.415385 0.823529
262 CAO 0.415385 0.786517
263 1DG 0.415385 0.884615
264 30N 0.415385 0.744681
265 V1N 0.412281 0.931507
266 CMX 0.412214 0.835294
267 SCO 0.412214 0.835294
268 NA0 0.412214 0.945946
269 7RP 0.410526 0.888889
270 MCD 0.410448 0.816092
271 26A 0.409091 0.753247
272 FAM 0.409091 0.795455
273 AIR 0.409091 0.863014
274 ACO 0.409091 0.786517
275 FCX 0.409091 0.806818
276 DDS 0.407767 0.818182
277 NAP 0.407692 0.932432
278 CO6 0.407407 0.795455
279 RGT 0.40708 0.92
280 FA9 0.406667 0.853659
281 HAX 0.406015 0.795455
282 ANZ 0.405172 0.768293
283 A U 0.404959 0.883117
284 APU 0.404959 0.883117
285 PLP AAD 0.404762 0.752809
286 J7V 0.40458 0.845238
287 2MC 0.404412 0.76087
288 GNH 0.403846 0.871795
289 FYN 0.402985 0.813953
290 N01 0.401575 0.945205
291 SLU 0.401575 0.781609
292 3HC 0.40146 0.804598
293 NMN AMP PO4 0.4 0.883117
294 101 0.4 0.842105
295 SOP 0.4 0.795455
296 COK 0.4 0.795455
297 CA6 0.4 0.721649
298 OXK 0.4 0.816092
299 NHD 0.4 0.918919
Ligand no: 2; Ligand: ACP; Similar ligands found: 307
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 ADP 0.821918 0.972222
6 B4P 0.821918 0.945205
7 AP5 0.821918 0.945205
8 AP2 0.808219 0.986301
9 A12 0.808219 0.986301
10 M33 0.8 0.932432
11 ATP 0.789474 0.972222
12 5FA 0.779221 0.972222
13 AR6 0.779221 0.945205
14 AQP 0.779221 0.972222
15 APR 0.779221 0.945205
16 AGS 0.769231 0.921053
17 AD9 0.769231 0.945946
18 SAP 0.769231 0.921053
19 A 0.763889 0.944444
20 AMP 0.763889 0.944444
21 APC 0.75641 0.986301
22 CA0 0.753247 0.92
23 ADX 0.753247 0.851852
24 ANP 0.75 0.945946
25 50T 0.74359 0.932432
26 PRX 0.734177 0.87013
27 ABM 0.733333 0.893333
28 ATF 0.731707 0.933333
29 AMP MG 0.72 0.868421
30 SRA 0.706667 0.894737
31 A22 0.705882 0.958904
32 ADV 0.703704 0.959459
33 RBY 0.703704 0.959459
34 5AL 0.698795 0.906667
35 A1R 0.689655 0.909091
36 ADQ 0.689655 0.92
37 AU1 0.6875 0.945946
38 ADP MG 0.6875 0.881579
39 TAT 0.686747 0.933333
40 SRP 0.682353 0.907895
41 BEF ADP 0.679012 0.858974
42 ADP BEF 0.679012 0.858974
43 OAD 0.674157 0.92
44 4TC 0.673469 0.922078
45 AMO 0.670455 0.933333
46 4AD 0.670455 0.921053
47 00A 0.662921 0.860759
48 ADP PO3 0.662651 0.917808
49 BIS 0.659341 0.909091
50 3OD 0.659341 0.92
51 25A 0.659091 0.945205
52 ATP MG 0.654762 0.881579
53 SON 0.654321 0.933333
54 25L 0.652174 0.958904
55 PAJ 0.651685 0.8625
56 DLL 0.644444 0.906667
57 AHX 0.644444 0.897436
58 TXA 0.641304 0.907895
59 ALF ADP 0.632184 0.848101
60 ADP ALF 0.632184 0.848101
61 LAD 0.630435 0.8625
62 PR8 0.630435 0.851852
63 MAP 0.629214 0.921053
64 GAP 0.627907 0.87013
65 ANP MG 0.625 0.871795
66 ADP VO4 0.625 0.906667
67 NB8 0.623656 0.897436
68 FYA 0.623656 0.906667
69 1ZZ 0.623656 0.819277
70 PTJ 0.623656 0.873418
71 ME8 0.623656 0.841463
72 UP5 0.62 0.896104
73 G3A 0.618557 0.897436
74 G5P 0.612245 0.897436
75 AFH 0.612245 0.886076
76 GTA 0.606061 0.864198
77 YAP 0.604167 0.896104
78 FA5 0.604167 0.907895
79 TXD 0.60396 0.884615
80 XAH 0.597938 0.841463
81 XYA 0.597222 0.821918
82 ADN 0.597222 0.821918
83 RAB 0.597222 0.821918
84 DAL AMP 0.593407 0.881579
85 2A5 0.593023 0.92
86 AOC 0.592593 0.8
87 NAX 0.588235 0.875
88 DND 0.588235 0.907895
89 NXX 0.588235 0.907895
90 NAI 0.588235 0.884615
91 ATR 0.586207 0.944444
92 PAP 0.586207 0.958333
93 ADP BMA 0.585106 0.894737
94 LAQ 0.584158 0.819277
95 5AS 0.583333 0.761364
96 5N5 0.581081 0.797297
97 AP0 0.576923 0.873418
98 5CD 0.573333 0.783784
99 A4D 0.573333 0.797297
100 A4P 0.571429 0.823529
101 CNA 0.570093 0.907895
102 ITT 0.569767 0.917808
103 A2R 0.565217 0.958904
104 M2T 0.564103 0.716049
105 YLP 0.563107 0.821429
106 ADJ 0.560748 0.831325
107 T5A 0.560748 0.843373
108 139 0.560748 0.851852
109 TAD 0.558824 0.910256
110 ATP A A A 0.555556 0.905405
111 A3P 0.552941 0.944444
112 TYM 0.552381 0.907895
113 IOT 0.551402 0.833333
114 EP4 0.551282 0.734177
115 MYR AMP 0.55102 0.797619
116 A3D 0.54955 0.894737
117 GCP 0.548387 0.922078
118 YLB 0.54717 0.821429
119 YLC 0.54717 0.841463
120 UPA 0.54717 0.884615
121 COD 0.545455 0.813953
122 NAD 0.545455 0.906667
123 G5A 0.544444 0.781609
124 DTA 0.544304 0.766234
125 3DH 0.54321 0.753247
126 DZD 0.540541 0.910256
127 AHZ 0.538462 0.797619
128 MTA 0.5375 0.753247
129 3AM 0.536585 0.90411
130 A2P 0.534884 0.930556
131 AR6 AR6 0.533981 0.893333
132 PPS 0.532609 0.851852
133 6AD 0.532609 0.886076
134 YLA 0.53211 0.821429
135 AMP DBH 0.529412 0.87013
136 AYB 0.527273 0.811765
137 A5A 0.526882 0.788235
138 TSB 0.526316 0.8
139 S4M 0.523256 0.670455
140 SSA 0.521277 0.802326
141 NA7 0.520408 0.959459
142 7MD 0.519231 0.864198
143 LPA AMP 0.518868 0.797619
144 BTX 0.517857 0.843373
145 NAE 0.517241 0.871795
146 54H 0.515789 0.770115
147 52H 0.515789 0.761364
148 VMS 0.515789 0.770115
149 BT5 0.513274 0.833333
150 NAQ 0.512821 0.85
151 ZAS 0.511905 0.746835
152 IMO 0.511628 0.90411
153 A3N 0.511628 0.766234
154 AV2 0.510638 0.893333
155 53H 0.510417 0.761364
156 5CA 0.510417 0.802326
157 ARU 0.510204 0.839506
158 LA8 ALF 3PG 0.509259 0.839506
159 AF3 ADP 3PG 0.509259 0.839506
160 ALF ADP 3PG 0.509259 0.839506
161 M24 0.508621 0.829268
162 ZID 0.508475 0.894737
163 2AM 0.506024 0.917808
164 V3L 0.505376 0.945205
165 3AT 0.505376 0.972222
166 AVV 0.505155 0.897436
167 NSS 0.5 0.802326
168 DSZ 0.5 0.802326
169 DSH 0.5 0.728395
170 EAD 0.5 0.851852
171 LSS 0.5 0.764045
172 P5A 0.5 0.747253
173 MAO 0.5 0.761905
174 YLY 0.495726 0.811765
175 NVA LMS 0.494949 0.744444
176 DAT 0.494505 0.906667
177 7MC 0.490909 0.843373
178 LEU LMS 0.49 0.744444
179 SMM 0.489583 0.689655
180 DTP 0.489362 0.906667
181 SAM 0.489362 0.694118
182 OVE 0.488372 0.881579
183 5AD 0.486842 0.726027
184 GSU 0.485149 0.781609
185 KAA 0.485149 0.755556
186 NDE 0.483871 0.907895
187 P1H 0.483871 0.831325
188 N0B 0.483333 0.821429
189 A3G 0.482759 0.802632
190 NAD IBO 0.482456 0.848101
191 NAJ PZO 0.478632 0.82716
192 4TA 0.478261 0.809524
193 SFG 0.478261 0.753247
194 YSA 0.47619 0.781609
195 NDC 0.47619 0.85
196 FB0 0.47619 0.827586
197 A7D 0.472527 0.779221
198 NJP 0.469565 0.921053
199 FDA 0.46875 0.835294
200 A5D 0.468085 0.766234
201 SA8 0.468085 0.710843
202 MHZ 0.467391 0.701149
203 0WD 0.465517 0.897436
204 G A A A 0.465517 0.85
205 6FA 0.465116 0.843373
206 GGZ 0.464646 0.804878
207 SAH 0.463158 0.746835
208 6C6 0.463158 0.883117
209 SAI 0.463158 0.7375
210 NAJ PYZ 0.46281 0.829268
211 TXP 0.46087 0.897436
212 PO4 PO4 A A A A PO4 0.460784 0.878378
213 S7M 0.459184 0.694118
214 AMP NAD 0.459016 0.858974
215 6IA 0.458333 0.839506
216 DDS 0.458333 0.855263
217 FAD 0.458015 0.853659
218 FAS 0.458015 0.853659
219 SFD 0.458015 0.736842
220 ODP 0.456897 0.886076
221 A3S 0.456522 0.813333
222 EEM 0.453608 0.694118
223 AAT 0.453608 0.710843
224 RGT 0.45283 0.933333
225 NDP 0.452174 0.897436
226 NPW 0.452174 0.8875
227 FAY 0.451852 0.864198
228 PGS 0.451613 0.860759
229 NEC 0.449438 0.727273
230 D5M 0.449438 0.88
231 DA 0.449438 0.88
232 2SA 0.44898 0.933333
233 NIA 0.448276 0.802469
234 NZQ 0.448276 0.910256
235 A U 0.447368 0.848101
236 A3T 0.446809 0.8
237 A A A 0.446602 0.906667
238 128 0.446429 0.758621
239 GEK 0.445545 0.740741
240 6K6 0.445545 0.905405
241 AAM 0.444444 0.944444
242 FNK 0.444444 0.806818
243 Z5A 0.443548 0.761364
244 WSA 0.442478 0.790698
245 AMZ 0.44186 0.891892
246 C2R 0.44186 0.88
247 12D 0.441441 0.767442
248 RFL 0.437956 0.823529
249 N6P 0.436893 0.890411
250 AIR 0.433735 0.876712
251 PLP AAD 0.433333 0.725275
252 GP3 0.43299 0.897436
253 A6D 0.432692 0.705882
254 V1N 0.431193 0.893333
255 GP2 0.428571 0.910256
256 NA0 0.428571 0.907895
257 GDP 0.428571 0.896104
258 0UM 0.427184 0.702381
259 DCA 0.42623 0.825581
260 ETB 0.42623 0.835294
261 GNH 0.424242 0.884615
262 NAP 0.424 0.92
263 PUA 0.422764 0.8625
264 APU 0.422414 0.871795
265 101 0.422222 0.855263
266 3AD 0.421687 0.808219
267 FA9 0.42069 0.865854
268 TAP 0.420635 0.884615
269 TM1 0.420561 0.755814
270 P5F 0.41958 0.825581
271 COA 0.419355 0.825581
272 PA7 0.419355 0.7125
273 K15 0.419048 0.686047
274 7RP 0.417582 0.902778
275 NHD 0.416667 0.881579
276 GTP 0.415842 0.896104
277 FCX 0.414062 0.797753
278 F2N 0.413793 0.816092
279 7RA 0.413043 0.931507
280 G1R 0.411765 0.884615
281 QQY 0.411111 0.794872
282 ACK 0.411111 0.837838
283 AMX 0.409449 0.835294
284 30N 0.409449 0.755319
285 CAO 0.409449 0.797753
286 J7V 0.409449 0.813953
287 COS 0.409449 0.806818
288 DG1 0.409449 0.897436
289 1DG 0.409449 0.897436
290 8BR 0.408602 0.883117
291 GSP 0.407767 0.851852
292 GNP 0.407767 0.873418
293 G2P 0.407767 0.910256
294 D3Y 0.407767 0.792208
295 CC5 0.407407 0.819444
296 N01 0.406504 0.881579
297 CMX 0.40625 0.825581
298 SCO 0.40625 0.825581
299 2BA 0.404255 0.890411
300 CMP 0.404255 0.876712
301 ACO 0.403101 0.797753
302 FAM 0.403101 0.806818
303 2VA 0.402062 0.779221
304 3NZ 0.401869 0.78481
305 26A 0.4 0.74359
306 QQX 0.4 0.78481
307 HAX 0.4 0.806818
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)
1 3A5Z KAA 0.000000002268 0.68014
2 3A5Z KAA 0.00000000175 0.67668
3 2XGT NSS 0.000000005489 0.65868
4 3A5Y KAA 0.000000004016 0.65576
5 4CS4 AXZ 0.00000003727 0.6556
6 3A5Y KAA 0.000000005653 0.65257
7 4CS4 ANP 0.00000002596 0.65214
8 3E9I XAH 0.00000001755 0.64247
9 3E9I XAH 0.00000003222 0.63129
10 1X54 4AD 0.00000001906 0.63063
11 2J3M PRI 0.00000001957 0.62733
12 3NEM AMO 0.00000002958 0.62538
13 4H2X G5A 0.00000006813 0.6245
14 2J3M ATP 0.00000002106 0.62308
15 1SES AHX 0.0000003619 0.60819
16 4H2V AMP 0.00000004061 0.60371
17 3QO8 SSA 0.0000004879 0.60227
18 3MF2 AMP 0.00000007405 0.60063
19 1G51 AMO 0.0000001371 0.59999
20 3REU ATP 0.00000001389 0.59393
21 2CJ9 SSA 0.00000004493 0.58768
22 3G1Z AMP 0.000000001555 0.58352
23 1E1O LYS 0.0000003228 0.58201
24 1WLE SRP 0.0000001477 0.5657
25 3IAL PR8 0.0000006128 0.56291
26 12AS AMP 0.00000126 0.55955
27 3NEM ATP 0.00000001191 0.55399
28 3BJU ATP 0.00000006292 0.54929
29 1B7Y FYA 0.000002171 0.54744
30 3BJU ATP 0.00000008173 0.54583
31 3BJU ATP 0.00000008173 0.54583
32 1SES AMP 0.0000341 0.54541
33 4H2W AMP 0.0000001765 0.54524
34 2I4O ATP 0.00000005011 0.53323
35 2I4O ATP 0.00000007703 0.52877
36 4H2W 5GP 0.000001175 0.52266
37 3UH0 TSB 0.00001111 0.51348
38 2CJA ATP 0.000009158 0.48843
39 4HWS 1B3 0.00001499 0.48504
40 1SS4 GSH 0.000599 0.45715
41 1SS4 GSH 0.000599 0.45715
42 3ERR AMP 0.00004007 0.45086
43 4DZ1 DAL 0.005931 0.44132
44 4HWT 1B2 0.0002957 0.43893
45 2WMC MGP 0.005452 0.43849
46 2QHV OC9 0.005412 0.4349
47 3TEG DAH 0.0009069 0.42818
48 4GID 0GH 0.02371 0.42225
49 3VMG 9CA 0.009018 0.41516
50 1UY4 XYP XYP XYP XYP 0.01502 0.41271
51 3T4L ZEA 0.001646 0.40623
52 3PNA CMP 0.02105 0.40512
53 3PNA CMP 0.02105 0.40512
54 3PNA CMP 0.02109 0.40509
55 1M83 ATP 0.01407 0.40501
56 3MEH THP 0.01487 0.40472
57 3LL5 IPE 0.0115 0.40182
58 3LL5 ADP 0.0115 0.40182
59 3E7S AT2 0.03037 0.40163
60 3LL5 ADP 0.01194 0.40112
61 1L7P SEP 0.02546 0.40093
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