Receptor
PDB id Resolution Class Description Source Keywords
1SES 2.5 Å EC: 6.1.1.11 CRYSTAL STRUCTURES AT 2.5 ANGSTROMS RESOLUTION OF SERYL-TRNA SYNTHETASE COMPLEXED WITH TWO DIFFERENT ANALOGUES OF SERYL- THERMUS THERMOPHILUS LIGASE SYNTHETASE
Ref.: CRYSTAL STRUCTURES AT 2.5 ANGSTROM RESOLUTION OF SE SYNTHETASE COMPLEXED WITH TWO ANALOGS OF SERYL ADEN SCIENCE V. 263 1432 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHX A:422;
 Valid;
 none;
 submit data
449.313 C13 H20 N7 O9 P c1nc(...
AMP B:423;
 Valid;
 none;
 submit data
347.221 C10 H14 N5 O7 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SES 2.5 Å EC: 6.1.1.11 CRYSTAL STRUCTURES AT 2.5 ANGSTROMS RESOLUTION OF SERYL-TRNA SYNTHETASE COMPLEXED WITH TWO DIFFERENT ANALOGUES OF SERYL- THERMUS THERMOPHILUS LIGASE SYNTHETASE
Ref.: CRYSTAL STRUCTURES AT 2.5 ANGSTROM RESOLUTION OF SE SYNTHETASE COMPLEXED WITH TWO ANALOGS OF SERYL ADEN SCIENCE V. 263 1432 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1SES - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1SES - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1SES - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3ERR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AHX; Similar ligands found: 307
No: Ligand ECFP6 Tc MDL keys Tc
1 AHX 1 1
2 XAH 0.815217 0.9375
3 SRP 0.722222 0.935065
4 A2D 0.690476 0.896104
5 CA0 0.689655 0.897436
6 5AL 0.681319 0.884615
7 AN2 0.678161 0.909091
8 BA3 0.674419 0.896104
9 AP5 0.666667 0.896104
10 B4P 0.666667 0.896104
11 ADP 0.666667 0.896104
12 AMO 0.65625 0.935065
13 AMP 0.654762 0.87013
14 A 0.654762 0.87013
15 ADX 0.651685 0.811765
16 M33 0.651685 0.884615
17 NB8 0.646465 0.974026
18 8QN 0.645833 0.884615
19 ATP 0.644444 0.896104
20 50T 0.644444 0.860759
21 ACP 0.644444 0.897436
22 PRX 0.637363 0.82716
23 APR 0.637363 0.896104
24 AR6 0.637363 0.896104
25 5FA 0.637363 0.896104
26 AQP 0.637363 0.896104
27 LAD 0.636364 0.888889
28 ANP 0.634409 0.897436
29 DLL 0.632653 0.884615
30 ABM 0.632184 0.848101
31 SSA 0.631579 0.848837
32 AD9 0.630435 0.873418
33 AGS 0.630435 0.851852
34 SAP 0.630435 0.851852
35 ME8 0.63 0.845238
36 PAJ 0.622449 0.865854
37 4AD 0.622449 0.923077
38 ATF 0.621053 0.8625
39 AMP MG 0.62069 0.825
40 AP2 0.617977 0.886076
41 A12 0.617977 0.886076
42 ACQ 0.617021 0.897436
43 00A 0.616162 0.841463
44 AU1 0.615385 0.897436
45 TXA 0.613861 0.886076
46 OOB 0.612245 0.884615
47 YAP 0.61165 0.898734
48 FA5 0.61165 0.910256
49 SRA 0.609195 0.82716
50 WAQ 0.60396 0.864198
51 FYA 0.598039 0.884615
52 PTJ 0.598039 0.831325
53 3UK 0.594059 0.873418
54 OAD 0.594059 0.897436
55 A1R 0.59 0.911392
56 PR8 0.588235 0.878049
57 YLP 0.587156 0.847059
58 SON 0.586957 0.886076
59 5CA 0.585859 0.848837
60 A22 0.585859 0.884615
61 APC 0.585106 0.886076
62 GAP 0.583333 0.873418
63 TAT 0.583333 0.8625
64 1ZZ 0.582524 0.802326
65 3OD 0.582524 0.897436
66 ADP MG 0.580645 0.8375
67 25A 0.58 0.871795
68 5SV 0.58 0.788235
69 RBY 0.578947 0.886076
70 ADV 0.578947 0.886076
71 TYM 0.576577 0.910256
72 ADP BEF 0.574468 0.817073
73 BEF ADP 0.574468 0.817073
74 ADQ 0.574257 0.897436
75 A5A 0.571429 0.793103
76 9SN 0.571429 0.831325
77 YLB 0.571429 0.847059
78 YLC 0.571429 0.86747
79 DAL AMP 0.57 0.860759
80 TSB 0.57 0.804598
81 53H 0.57 0.766667
82 BIS 0.567308 0.841463
83 ADP PO3 0.5625 0.87013
84 54H 0.56 0.775281
85 VMS 0.56 0.775281
86 52H 0.56 0.766667
87 7MD 0.559633 0.91358
88 4UU 0.559633 0.851852
89 DSZ 0.558824 0.827586
90 LSS 0.558824 0.788889
91 48N 0.558559 0.876543
92 ATP MG 0.556701 0.8375
93 YLA 0.556522 0.847059
94 4UV 0.555556 0.851852
95 MAP 0.554455 0.875
96 AYB 0.551724 0.837209
97 ANP MG 0.55 0.851852
98 TXE 0.548673 0.864198
99 IOT 0.547826 0.837209
100 25L 0.54717 0.884615
101 AFH 0.545455 0.865854
102 GSU 0.542857 0.806818
103 KAA 0.542857 0.8
104 G5A 0.540816 0.827586
105 ALF ADP 0.54 0.807229
106 ADP ALF 0.54 0.807229
107 4UW 0.539823 0.821429
108 TXD 0.539823 0.864198
109 A3S 0.536842 0.842105
110 LAQ 0.535714 0.802326
111 ADP VO4 0.534653 0.860759
112 VO4 ADP 0.534653 0.860759
113 YSA 0.53211 0.806818
114 COD 0.529412 0.83908
115 NSS 0.528846 0.827586
116 AMP DBH 0.527273 0.82716
117 GTA 0.526786 0.823529
118 NAI 0.526316 0.864198
119 DND 0.526316 0.886076
120 5AS 0.526316 0.766667
121 NAX 0.526316 0.878049
122 6V0 0.526316 0.853659
123 NXX 0.526316 0.886076
124 5X8 0.525773 0.772152
125 NVA LMS 0.52381 0.769231
126 G3A 0.522523 0.853659
127 OMR 0.521739 0.813953
128 YLY 0.520325 0.837209
129 N0B 0.52 0.847059
130 LEU LMS 0.518868 0.769231
131 MYR AMP 0.518519 0.781609
132 TYR AMP 0.518182 0.8625
133 G5P 0.517857 0.853659
134 AOC 0.516129 0.759494
135 UP5 0.513043 0.875
136 CNA 0.512605 0.910256
137 BT5 0.512397 0.816092
138 XYA 0.511905 0.802632
139 ADN 0.511905 0.802632
140 RAB 0.511905 0.802632
141 5CD 0.511628 0.74359
142 JB6 0.509259 0.841463
143 ARG AMP 0.508772 0.835294
144 DTA 0.505618 0.728395
145 3DH 0.505495 0.716049
146 2A5 0.50505 0.873418
147 ADP BMA 0.504673 0.873418
148 4TC 0.504274 0.876543
149 AP0 0.504274 0.831325
150 7MC 0.504274 0.891566
151 SA8 0.5 0.717647
152 A4P 0.5 0.827586
153 5N5 0.5 0.779221
154 TAD 0.5 0.865854
155 A A 0.5 0.848101
156 WSA 0.495726 0.816092
157 AF3 ADP 3PG 0.495726 0.821429
158 SAH 0.49505 0.753086
159 SFG 0.494949 0.759494
160 J7C 0.494737 0.756098
161 7D5 0.494505 0.8125
162 EP4 0.494382 0.698795
163 A4D 0.494253 0.779221
164 NAD 0.491803 0.884615
165 BTX 0.491803 0.825581
166 139 0.491667 0.878049
167 ADJ 0.491667 0.813953
168 T5A 0.491667 0.847059
169 UPA 0.491525 0.8875
170 7D3 0.489583 0.8375
171 6RE 0.489362 0.746988
172 P5A 0.486239 0.791209
173 ATR 0.485149 0.87013
174 PAP 0.485149 0.883117
175 7D4 0.484848 0.8375
176 A3P 0.484536 0.87013
177 A3D 0.483871 0.873418
178 MTA 0.483516 0.716049
179 LA8 ALF 3PG 0.483051 0.821429
180 ALF ADP 3PG 0.483051 0.821429
181 AHZ 0.482759 0.781609
182 ATP A A A 0.482143 0.858974
183 SAI 0.480392 0.743902
184 LPA AMP 0.478632 0.781609
185 NAQ 0.476562 0.831325
186 SMM 0.47619 0.696629
187 S7M 0.47619 0.701149
188 DZD 0.475806 0.865854
189 SAM 0.475728 0.701149
190 M2T 0.472527 0.682353
191 M24 0.472441 0.855422
192 0UM 0.472222 0.729412
193 A2R 0.471698 0.884615
194 PPS 0.471154 0.790698
195 EEM 0.471154 0.701149
196 ITT 0.47 0.846154
197 A2P 0.469388 0.857143
198 A3G 0.46875 0.831169
199 NAE 0.46875 0.851852
200 3AM 0.468085 0.857143
201 FB0 0.466667 0.811111
202 2SA 0.466667 0.910256
203 AR6 AR6 0.465517 0.848101
204 A3T 0.465347 0.805195
205 A3N 0.463918 0.75
206 ZID 0.461538 0.873418
207 6IA 0.461538 0.821429
208 A7D 0.46 0.7625
209 NAD IBO 0.459677 0.829268
210 GJV 0.459184 0.738095
211 6AD 0.457143 0.821429
212 NAJ PZO 0.456693 0.831325
213 EAD 0.454545 0.855422
214 DSH 0.453608 0.73494
215 NDE 0.451852 0.8625
216 NA7 0.45045 0.886076
217 IMO 0.44898 0.833333
218 ZAS 0.447917 0.753086
219 V3L 0.447619 0.871795
220 3NZ 0.446429 0.8125
221 S4M 0.444444 0.677778
222 A5D 0.442308 0.728395
223 2AM 0.442105 0.87013
224 62X 0.441441 0.677778
225 ARU 0.441441 0.77907
226 P1H 0.441176 0.835294
227 D3Y 0.440367 0.820513
228 MAO 0.44 0.809524
229 AV2 0.439252 0.825
230 NEC 0.438776 0.734177
231 6C6 0.438095 0.839506
232 VRT 0.438095 0.8
233 K15 0.4375 0.693182
234 FNK 0.4375 0.791209
235 4YB 0.436975 0.788889
236 2VA 0.436893 0.78481
237 AVV 0.436364 0.853659
238 NDC 0.434783 0.831325
239 649 0.434426 0.771739
240 4TA 0.433071 0.813953
241 7C5 0.432203 0.759036
242 NAJ PYZ 0.431818 0.833333
243 AAT 0.429907 0.717647
244 SXZ 0.429825 0.72093
245 SFD 0.429577 0.742268
246 FDA 0.428571 0.797753
247 OVE 0.428571 0.8375
248 MHZ 0.427184 0.727273
249 KB1 0.426087 0.709302
250 6FA 0.425532 0.825581
251 NJP 0.425197 0.875
252 SO8 0.424528 0.775
253 GEK 0.423423 0.746988
254 6K6 0.423423 0.858974
255 G A A A 0.421875 0.831325
256 0WD 0.421875 0.853659
257 3AT 0.420561 0.896104
258 5AD 0.420455 0.688312
259 DCA 0.419847 0.829545
260 ETB 0.419847 0.83908
261 FAD 0.41958 0.835294
262 FAS 0.41958 0.835294
263 AMP NAD 0.41791 0.839506
264 Y3J 0.417582 0.670886
265 TXP 0.417323 0.853659
266 NZQ 0.417323 0.865854
267 C2R 0.416667 0.835443
268 AMZ 0.416667 0.846154
269 7D7 0.41573 0.708861
270 FAY 0.414966 0.845238
271 CAO 0.414815 0.802198
272 COS 0.414815 0.811111
273 Z5A 0.414815 0.786517
274 30N 0.414815 0.760417
275 P5F 0.414474 0.788889
276 GGZ 0.414414 0.767442
277 ODP 0.414062 0.843373
278 NAD BBN 0.413793 0.825581
279 0T1 0.413534 0.829545
280 COA 0.413534 0.829545
281 PGS 0.413462 0.797619
282 KH3 0.413223 0.704545
283 A A A 0.412281 0.860759
284 A6D 0.412281 0.732558
285 RFL 0.412162 0.806818
286 71V 0.411765 0.819277
287 S8M 0.410714 0.768293
288 DAT 0.409524 0.860759
289 NDP 0.409449 0.853659
290 NPW 0.409449 0.86747
291 F2N 0.409091 0.8
292 FCX 0.408759 0.802198
293 NAD CJ3 0.408163 0.797753
294 62F 0.408163 0.845238
295 NIA 0.408163 0.807229
296 U A G G 0.407692 0.819277
297 DTP 0.407407 0.860759
298 AMX 0.404412 0.83908
299 7DD 0.403846 0.883117
300 NVA 2AD 0.401869 0.753086
301 SLU 0.401515 0.758242
302 SCO 0.40146 0.829545
303 CMX 0.40146 0.829545
304 MCD 0.4 0.811111
305 XNP 0.4 0.833333
306 COK 0.4 0.811111
307 PO4 PO4 A A A A PO4 0.4 0.833333
Ligand no: 2; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SES; Ligand: AMP; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 1ses.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WOX NDP 0.01748 0.42347 1.42518
2 1X54 4AD 0.00001573 0.56671 1.66271
3 4I3V NAD 0.009719 0.43339 1.66271
4 5L13 6ZE 0.02596 0.42751 1.66271
5 1E1O LYS 0.001228 0.47252 1.90024
6 1T90 NAD 0.02651 0.41061 1.90024
7 2XGT NSS 0.000006889 0.58913 2.13777
8 1G51 AMO 0.0004485 0.49648 2.13777
9 3TEG DAH 0.01684 0.40842 2.16867
10 3BJU ATP 0.000243 0.48865 2.61283
11 2RKV COA 0.0329 0.40786 2.61283
12 1O9J NAD 0.01794 0.4183 2.85036
13 4PZ2 NAD 0.01475 0.42394 3.32542
14 3NEM AMO 0.000003288 0.60338 3.56295
15 3NEM ATP 0.000002638 0.57695 3.56295
16 4XQC NAD 0.04284 0.41092 3.56295
17 3MF2 AMP 0.000004911 0.58765 3.75723
18 4YDQ ANP 0.00002021 0.59698 3.80048
19 4YDQ HFG 0.00001929 0.59698 3.80048
20 12AS AMP 0.000115 0.52667 3.93939
21 4CS4 ANP 0.000007224 0.60557 4.0146
22 4CS4 AXZ 0.00001036 0.60557 4.0146
23 3SUD SUE 0.02648 0.40006 4.4335
24 1B7Y FYA 0.001761 0.46455 4.57143
25 3G1Z AMP 0.000009751 0.54977 4.60123
26 3VZ3 NAP 0.01496 0.42363 4.98812
27 3VZ3 SSN 0.04939 0.40047 4.98812
28 3E9I XAH 0.00007782 0.53889 5.22565
29 3HXU A5A 0.0000341 0.54541 5.46318
30 4I8P NAD 0.02089 0.4183 5.93824
31 3IWK NAD 0.01443 0.40646 5.93824
32 2ZTG A5A 0.00001887 0.5483 6.4133
33 4H2W 5GP 0.000002504 0.59141 7.83848
34 4H2W AMP 0.000002177 0.5913 7.83848
35 4H2X G5A 0.000003185 0.58916 7.83848
36 3QXV MTX 0.01188 0.41063 7.93651
37 4GOJ GNP 0.01929 0.40545 7.93651
38 4KAX GTP 0.01813 0.40681 8.07453
39 3A5Y KAA 0.0000476 0.54235 8.11594
40 1UPT GTP 0.01828 0.40662 8.33333
41 3REU ATP 0.000004671 0.5781 8.5034
42 4HWS 1B3 0.00000184 0.40087 9.97567
43 2J3M ATP 0.000003017 0.59827 9.97625
44 2J3M PRI 0.000005427 0.58784 9.97625
45 2I4O ATP 0.000000204 0.63014 10.4513
46 3UH0 TSB 0.000000199 0.66024 12.3515
47 4H2V AMP 0.000004221 0.58846 12.7273
48 5APG EEM 0.02367 0.40096 14.0541
49 3IAL PR8 0.0000241 0.55298 14.7268
50 1O3Y GTP 0.01192 0.41761 15.6627
51 2J59 GTP 0.01442 0.41345 15.6627
52 3A5Z KAA 0.00004766 0.54431 17.801
53 5VAD 91Y 0.00002322 0.56943 20.19
54 1J2J GTP 0.02596 0.4005 44.4444
Pocket No.: 2; Query (leader) PDB : 1SES; Ligand: AHX; Similar sites found: 39
This union binding pocket(no: 2) in the query (biounit: 1ses.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1X54 4AD 0.0000001003 0.63905 1.66271
2 3T4L ZEA 0.006613 0.40637 1.85185
3 1E1O LYS 0.00001766 0.53766 1.90024
4 2XGT NSS 0.00000004468 0.66043 2.13777
5 1G51 AMO 0.00001485 0.54315 2.13777
6 3TEG DAH 0.0006859 0.45671 2.16867
7 3BJU ATP 0.0003568 0.45518 2.61283
8 3A7R LAQ 0.01459 0.41345 2.96736
9 3NEM AMO 0.00000003988 0.66016 3.56295
10 3NEM ATP 0.000004262 0.51785 3.56295
11 3MF2 AMP 0.0000002433 0.61606 3.75723
12 4YDQ ANP 0.000003617 0.60591 3.80048
13 4YDQ HFG 0.000003423 0.60591 3.80048
14 12AS AMP 0.000002123 0.58245 3.93939
15 4CS4 AXZ 0.0000003853 0.64612 4.0146
16 4CS4 ANP 0.0000002452 0.64612 4.0146
17 1B7Y FYA 0.00002807 0.52834 4.57143
18 3G1Z AMP 0.00001391 0.49978 4.60123
19 3HRD FAD 0.02515 0.40769 5
20 3E9I XAH 0.000000822 0.60594 5.22565
21 3HXU A5A 0.0000003619 0.60819 5.46318
22 2ART LPA AMP 0.01382 0.4146 5.72519
23 2E5A LAQ 0.004376 0.42972 6.05187
24 2ZTG A5A 0.0000003555 0.59672 6.4133
25 4H2X G5A 0.0000001567 0.61584 7.83848
26 4H2W AMP 0.000009052 0.53116 7.83848
27 4H2W 5GP 0.00001103 0.53024 7.83848
28 3A5Y KAA 0.0000002001 0.62523 8.11594
29 3REU ATP 0.000005842 0.54254 8.5034
30 4HWS 1B3 0.0000006978 0.4417 9.97567
31 2J3M ATP 0.0000003654 0.608 9.97625
32 2J3M PRI 0.0000004964 0.60454 9.97625
33 2I4O ATP 0.000001236 0.54227 10.4513
34 3UH0 TSB 0.0000001637 0.62663 12.3515
35 4H2V AMP 0.0000002912 0.60972 12.7273
36 3IAL PR8 0.000001436 0.58089 14.7268
37 3A5Z KAA 0.0000001951 0.62825 17.801
38 5VAD 91Y 0.000001668 0.59546 20.19
39 4HWT 1B2 0.002012 0.43155 26.1501
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