Receptor
PDB id Resolution Class Description Source Keywords
1G51 2.4 Å EC: 6.1.1.12 ASPARTYL TRNA SYNTHETASE FROM THERMUS THERMOPHILUS AT 2.4 A RESOLUTION THERMUS THERMOPHILUS AMINOACYL TRNA SYNTHETASE LIGASE
Ref.: SYNTHESIS AND RECOGNITION OF ASPARTYL-ADENYLATE BY THERMUS THERMOPHILUS ASPARTYL-TRNA SYNTHETASE. J.MOL.BIOL. V. 244 158 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMO A:831;
B:1831;
Valid;
Valid;
none;
none;
submit data
462.309 C14 H19 N6 O10 P c1nc(...
AMP B:800;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
SO4 A:1901;
B:901;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G51 2.4 Å EC: 6.1.1.12 ASPARTYL TRNA SYNTHETASE FROM THERMUS THERMOPHILUS AT 2.4 A RESOLUTION THERMUS THERMOPHILUS AMINOACYL TRNA SYNTHETASE LIGASE
Ref.: SYNTHESIS AND RECOGNITION OF ASPARTYL-ADENYLATE BY THERMUS THERMOPHILUS ASPARTYL-TRNA SYNTHETASE. J.MOL.BIOL. V. 244 158 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1G51 - 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 2 families.
1 1G51 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1G51 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMO; Similar ligands found: 301
No: Ligand ECFP6 Tc MDL keys Tc
1 AMO 1 1
2 SRP 0.833333 0.972973
3 NB8 0.820225 0.960526
4 5AL 0.788235 0.945946
5 LAD 0.769231 0.923077
6 ME8 0.76087 0.9
7 8QN 0.744444 0.945946
8 CA0 0.738095 0.959459
9 YAP 0.736842 0.96
10 FA5 0.736842 0.972973
11 4AD 0.736264 0.986486
12 PAJ 0.717391 0.898734
13 A2D 0.698795 0.932432
14 PTJ 0.6875 0.886076
15 YLP 0.686275 0.878049
16 AN2 0.686047 0.92
17 BA3 0.682353 0.932432
18 WAQ 0.677083 0.922078
19 AP5 0.674419 0.932432
20 ADP 0.674419 0.932432
21 B4P 0.674419 0.932432
22 TYM 0.673077 0.972973
23 ACP 0.670455 0.933333
24 YLB 0.666667 0.878049
25 YLC 0.666667 0.9
26 A 0.662651 0.905405
27 AMP 0.662651 0.905405
28 M33 0.659091 0.92
29 ADX 0.659091 0.841463
30 DLL 0.65625 0.945946
31 AHX 0.65625 0.935065
32 TXA 0.653061 0.946667
33 OOB 0.652632 0.945946
34 ATP 0.651685 0.932432
35 50T 0.651685 0.894737
36 YLA 0.648148 0.878049
37 PRX 0.644444 0.858974
38 AR6 0.644444 0.958904
39 APR 0.644444 0.958904
40 AQP 0.644444 0.932432
41 5FA 0.644444 0.932432
42 A12 0.643678 0.921053
43 AP2 0.643678 0.921053
44 PR8 0.642857 0.911392
45 AYB 0.642202 0.86747
46 ANP 0.641304 0.907895
47 ABM 0.639535 0.881579
48 00A 0.639175 0.897436
49 SAP 0.637363 0.884615
50 AGS 0.637363 0.884615
51 AD9 0.637363 0.907895
52 3UK 0.632653 0.933333
53 AMP MG 0.627907 0.857143
54 XAH 0.627451 0.876543
55 ACQ 0.623656 0.933333
56 AU1 0.622222 0.907895
57 1ZZ 0.62 0.853659
58 SRA 0.616279 0.858974
59 A1R 0.612245 0.922078
60 SON 0.611111 0.946667
61 ATF 0.610526 0.896104
62 7MD 0.609524 0.924051
63 DAL AMP 0.608247 0.92
64 9SN 0.607843 0.886076
65 GAP 0.606383 0.907895
66 3OD 0.60396 0.959459
67 YLY 0.603448 0.86747
68 OAD 0.6 0.959459
69 DSZ 0.59596 0.857143
70 A22 0.591837 0.92
71 APC 0.591398 0.921053
72 4UV 0.590476 0.909091
73 TAT 0.589474 0.896104
74 FYA 0.588235 0.92
75 N0B 0.588235 0.878049
76 ADP MG 0.586957 0.87013
77 5SV 0.585859 0.817073
78 25A 0.585859 0.906667
79 RBY 0.585106 0.946667
80 ADV 0.585106 0.946667
81 BEF ADP 0.580645 0.848101
82 ADP BEF 0.580645 0.848101
83 ADQ 0.58 0.933333
84 4UU 0.579439 0.909091
85 LAQ 0.568807 0.853659
86 ADP PO3 0.568421 0.905405
87 IOT 0.566372 0.86747
88 48N 0.563636 0.935065
89 ATP MG 0.5625 0.87013
90 MAP 0.56 0.884615
91 4UW 0.558559 0.875
92 BIS 0.557692 0.873418
93 ANP MG 0.555556 0.860759
94 25L 0.552381 0.92
95 TYR AMP 0.551402 0.921053
96 ADP ALF 0.545455 0.8375
97 ALF ADP 0.545455 0.8375
98 NAI 0.544643 0.897436
99 TXD 0.544643 0.897436
100 NXX 0.544643 0.946667
101 DND 0.544643 0.946667
102 G3A 0.541284 0.886076
103 SSA 0.54 0.835294
104 VO4 ADP 0.54 0.894737
105 ADP VO4 0.54 0.894737
106 TXE 0.539823 0.897436
107 MYR AMP 0.537736 0.831325
108 G5P 0.536364 0.886076
109 AFH 0.536364 0.898734
110 7MC 0.535088 0.901235
111 GSU 0.533333 0.835294
112 5X8 0.53125 0.826667
113 6V0 0.530973 0.886076
114 NAX 0.530973 0.911392
115 G5A 0.530612 0.813953
116 A5A 0.53 0.8
117 TSB 0.529412 0.811765
118 5CA 0.529412 0.835294
119 BT5 0.529412 0.86747
120 ARG AMP 0.526786 0.865854
121 OMR 0.526316 0.865854
122 AP0 0.521739 0.8625
123 AOC 0.521739 0.789474
124 EEM 0.52 0.746988
125 54H 0.519608 0.781609
126 VMS 0.519608 0.781609
127 52H 0.519608 0.772727
128 LSS 0.519231 0.795455
129 A A 0.518868 0.881579
130 ADN 0.518072 0.810811
131 RAB 0.518072 0.810811
132 XYA 0.518072 0.810811
133 TAD 0.517857 0.898734
134 GTA 0.517857 0.853659
135 5CD 0.517647 0.773333
136 5AS 0.515789 0.752809
137 SFG 0.515464 0.813333
138 53H 0.514563 0.772727
139 JB6 0.514019 0.873418
140 M24 0.512195 0.864198
141 2A5 0.510204 0.883117
142 ADP BMA 0.509434 0.907895
143 COD 0.508333 0.847059
144 5N5 0.505882 0.786667
145 SA8 0.50505 0.765432
146 PAP 0.50505 0.918919
147 NSS 0.504762 0.835294
148 KAA 0.504673 0.786517
149 AMP DBH 0.504505 0.883117
150 UP5 0.504348 0.909091
151 CNA 0.504202 0.946667
152 AF3 ADP 3PG 0.5 0.875
153 A4D 0.5 0.786667
154 LA8 ALF 3PG 0.5 0.875
155 7D5 0.5 0.820513
156 2SA 0.5 0.972973
157 ALF ADP 3PG 0.5 0.875
158 SAH 0.5 0.805195
159 ATP A A A 0.5 0.893333
160 AHZ 0.5 0.831325
161 SAI 0.5 0.794872
162 NAD 0.495868 0.92
163 T5A 0.495798 0.878049
164 ADJ 0.495798 0.865854
165 UPA 0.495726 0.897436
166 4TC 0.495726 0.910256
167 LPA AMP 0.495652 0.831325
168 YSA 0.495495 0.813953
169 LEU LMS 0.495327 0.775281
170 S7M 0.495146 0.746988
171 SMM 0.495146 0.741176
172 7D3 0.494737 0.846154
173 DTA 0.494382 0.75641
174 A4P 0.491525 0.835294
175 PPS 0.490196 0.819277
176 ATR 0.49 0.905405
177 7D4 0.489796 0.846154
178 A3P 0.489583 0.905405
179 A3D 0.487805 0.907895
180 NVA LMS 0.485981 0.775281
181 BTX 0.483607 0.855422
182 139 0.483333 0.8875
183 EP4 0.483146 0.725
184 SAM 0.480392 0.746988
185 NAQ 0.480315 0.8625
186 6RE 0.478723 0.753086
187 3DH 0.478261 0.74359
188 M2T 0.477778 0.707317
189 P5A 0.477064 0.777778
190 A2R 0.47619 0.945946
191 ITT 0.474747 0.88
192 A2P 0.474227 0.891892
193 3AM 0.473118 0.866667
194 MTA 0.472527 0.74359
195 NAE 0.472441 0.884615
196 AR6 AR6 0.469565 0.906667
197 EAD 0.469231 0.8875
198 J7C 0.46875 0.7625
199 DZD 0.467742 0.898734
200 ZID 0.465116 0.907895
201 A3S 0.464646 0.851351
202 NAD IBO 0.463415 0.860759
203 0UM 0.462963 0.756098
204 WSA 0.462185 0.823529
205 6AD 0.461538 0.851852
206 NAJ PZO 0.460317 0.839506
207 62X 0.458716 0.72093
208 ARU 0.458716 0.807229
209 NDE 0.455224 0.896104
210 P1H 0.455224 0.865854
211 K15 0.454545 0.738095
212 GEK 0.453704 0.797468
213 IMO 0.453608 0.866667
214 A3N 0.453608 0.75641
215 ZAS 0.452632 0.759494
216 V3L 0.451923 0.932432
217 GJV 0.44898 0.743902
218 S4M 0.44898 0.681818
219 FB0 0.448529 0.818182
220 NDC 0.448529 0.8625
221 G A A A 0.448 0.839506
222 0WD 0.448 0.886076
223 2AM 0.446809 0.88
224 MAO 0.444444 0.77381
225 DSH 0.443299 0.740741
226 A3G 0.443299 0.84
227 KB1 0.442478 0.756098
228 FDA 0.442029 0.825581
229 NA7 0.441441 0.921053
230 A3T 0.441176 0.813333
231 4YB 0.440678 0.816092
232 FNK 0.440559 0.818182
233 6IA 0.438095 0.829268
234 3AT 0.438095 0.932432
235 C2R 0.43617 0.893333
236 7C5 0.435897 0.810127
237 A7D 0.435644 0.769231
238 NAJ PYZ 0.435115 0.841463
239 SXZ 0.433628 0.768293
240 U A G G 0.433071 0.85
241 OVE 0.43299 0.846154
242 A5D 0.432692 0.75641
243 AMP NAD 0.431818 0.896104
244 AV2 0.429907 0.857143
245 6C6 0.428571 0.871795
246 NJP 0.428571 0.909091
247 NEC 0.428571 0.74026
248 6FA 0.428571 0.855422
249 AVV 0.427273 0.886076
250 DAT 0.427184 0.894737
251 NIA 0.427083 0.771084
252 5AD 0.425287 0.716216
253 4TA 0.425197 0.843373
254 3NZ 0.424779 0.820513
255 DTP 0.424528 0.894737
256 NDP 0.424 0.886076
257 SFD 0.422535 0.747368
258 FAS 0.422535 0.865854
259 FAD 0.422535 0.865854
260 Y3J 0.422222 0.697368
261 AMZ 0.421053 0.88
262 TXP 0.420635 0.886076
263 NZQ 0.420635 0.898734
264 AAT 0.420561 0.722892
265 7D7 0.420455 0.714286
266 D3Y 0.418182 0.828947
267 GGZ 0.418182 0.795181
268 MHZ 0.417476 0.712644
269 PGS 0.417476 0.82716
270 ODP 0.417323 0.875
271 P5F 0.417219 0.837209
272 KH3 0.416667 0.729412
273 A A A 0.415929 0.894737
274 PO4 PO4 A A A A PO4 0.415929 0.866667
275 71V 0.415842 0.85
276 V1N 0.415254 0.906667
277 VRT 0.415094 0.807692
278 RFL 0.414966 0.835294
279 SCO 0.414815 0.858824
280 CMX 0.414815 0.858824
281 649 0.414634 0.777778
282 6K6 0.414414 0.868421
283 2VA 0.413462 0.792208
284 NPW 0.412698 0.9
285 ETB 0.412214 0.847059
286 DCA 0.412214 0.837209
287 62F 0.410959 0.853659
288 FAY 0.408163 0.876543
289 7DD 0.407767 0.918919
290 0T1 0.406015 0.837209
291 COA 0.406015 0.837209
292 HGG 0.405594 0.83908
293 SLU 0.40458 0.764045
294 A6D 0.403509 0.697674
295 F2N 0.402597 0.827586
296 SO8 0.401869 0.782051
297 S8M 0.401786 0.775
298 FCX 0.40146 0.829545
299 DA 0.4 0.868421
300 D5M 0.4 0.868421
301 CMC 0.4 0.83908
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 : 1G51; Ligand: AMO; Similar sites found: 87
This union binding pocket(no: 1) in the query (biounit: 1g51.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NJ4 NAD 0.04402 0.40642 1.37931
2 1RYD GLC 0.03404 0.40398 1.55039
3 3ERR AMP 0.0001475 0.41116 1.6791
4 2CJA ATP 0.00005624 0.51626 1.72414
5 2CJ9 SSA 0.000009433 0.4719 1.72414
6 3QO8 SSA 0.00001411 0.54419 2.06186
7 1SES AHX 0.00001485 0.54315 2.13777
8 1SES AMP 0.0004485 0.49648 2.13777
9 3LL5 IP8 0.04027 0.40073 2.40964
10 3IAL PR8 0.000002813 0.5449 2.50965
11 1WLE SRP 0.000002354 0.48901 2.59481
12 2ZTG A5A 0.0000001546 0.62711 2.75862
13 3HXU A5A 0.0000001371 0.59999 2.75862
14 1IA9 ANP 0.007055 0.41154 2.85714
15 4KTP BGC 0.008792 0.43712 2.93103
16 2I4O ATP 0.0000006382 0.63229 3.05677
17 5VAD 91Y 0.0001391 0.43751 3.10345
18 5J6Y BGC 0.0238 0.40638 3.19149
19 5J6Y GLC 0.0238 0.40638 3.19149
20 4KBA 1QM 0.02501 0.40701 3.32326
21 12AS AMP 0.0000002206 0.56701 3.33333
22 4HWS 1B3 0.00002389 0.44107 3.40633
23 2VDF OCT 0.0008934 0.50935 3.55731
24 1QDS PGA 0.02134 0.40662 3.58566
25 3WIR BGC 0.0253 0.40899 3.62069
26 1B7Y FYA 0.0000001599 0.57829 3.71429
27 5DYO FLU 0.02966 0.40799 3.77358
28 2XYA 7L4 0.03285 0.40486 3.84615
29 4BFM ANP 0.00914 0.40332 3.89222
30 4MOB ADP 0.0386 0.40251 3.91566
31 4ZTD ALA GLY ALA GLY ALA 0.007798 0.44229 3.95257
32 2J3M ATP 0.0000004667 0.57766 4.02098
33 2J3M PRI 0.000000872 0.56029 4.02098
34 5JJU AMP 0.02272 0.40157 4.11765
35 3K8D CTP 0.00987 0.41545 4.16667
36 4Z7X 3CX 0.002412 0.47054 4.20168
37 5DBX ANP 0.006767 0.42733 4.26829
38 4DS0 A2G GAL NAG FUC 0.01046 0.44249 4.29448
39 4V15 PLP 0.02162 0.40263 4.48549
40 3UH0 TSB 0.0000486 0.46394 4.56522
41 3CM2 X23 0.03898 0.40088 4.61538
42 4RHS SIA SIA GAL 0.001048 0.48143 4.91803
43 4CS4 ANP 0.00000002571 0.52429 5.10949
44 4CS4 AXZ 0.00000002886 0.48964 5.10949
45 5LKC FUC GLA A2G 0.007841 0.4375 5.19481
46 3MF2 AMP 0.00001434 0.5152 5.20231
47 2WZ5 MET 0.01087 0.41084 5.22876
48 5XLY C2E 0.01423 0.40103 5.26316
49 1WLJ U5P 0.03333 0.40445 5.29101
50 4RT1 C2E 0.01328 0.40577 5.35714
51 3L24 GOA 0.004281 0.43223 5.60928
52 3FWY ADP 0.0127 0.4033 5.73248
53 2E5A LAQ 0.003156 0.40008 5.76369
54 1KQR MNA 0.01951 0.42506 6.14525
55 2P3I MNA 0.02043 0.42383 6.8323
56 4LRJ ANP 0.00925 0.41311 7.10059
57 2Y6P CTP 0.01568 0.40583 7.26496
58 3TEG DAH 0.000002304 0.55442 7.41379
59 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.03553 0.40587 8
60 5XQL C2E 0.005417 0.47362 8.62069
61 4H2X G5A 0.000004174 0.55547 8.73786
62 4H2W AMP 0.00001868 0.53852 8.73786
63 4H2W 5GP 0.00003078 0.52247 8.73786
64 5UDS ATP 0.01767 0.41074 8.74126
65 2YPI PGA 0.02559 0.40264 8.90688
66 1ZY5 ANP 0.01257 0.40689 8.91089
67 3H0L ADP 0.01894 0.41325 9.41423
68 2B4G ORO 0.03805 0.40143 9.77918
69 3DWQ NGC GAL NGA POL AZI 0.04429 0.40059 11.1111
70 5HWV MBN 0.03978 0.4004 11.5385
71 4H2V AMP 0.000007512 0.53245 12.7273
72 4Z3E GAL NGA GLA BGC GAL 0.03562 0.4015 14.1414
73 3IWD M2T 0.01929 0.41195 14.7059
74 2YKL NLD 0.01958 0.40474 16.0377
75 2QHV OC9 0.02783 0.40461 16.6667
76 5L8N 6RQ 0.03559 0.40439 17.9688
77 3REU ATP 0.00000001571 0.67231 19.3878
78 4F4S EFO 0.03824 0.40132 21.0526
79 3A5Y KAA 0.0000000001631 0.70531 22.029
80 3G1Z AMP 0.000000002087 0.75615 23.0061
81 3A5Z KAA 0.0000000004177 0.68086 23.1707
82 3E9I XAH 0.0000000001867 0.69263 23.3266
83 3BJU ATP 0.0000000141 0.6935 25.3448
84 2RHQ GAX 0.006986 0.40229 26.1905
85 2XGT NSS 0.0000000003264 0.67738 29.1954
86 1E1O LYS 0.00000001216 0.62272 30.1587
87 1X54 4AD 0.000000002157 0.63099 35.2535
Pocket No.: 2; Query (leader) PDB : 1G51; Ligand: AMO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1g51.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1G51; Ligand: AMP; Similar sites found: 52
This union binding pocket(no: 3) in the query (biounit: 1g51.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GPM AMP 0.0009348 0.45589 1.71429
2 3QFU ADP 0.01846 0.40941 2.03046
3 1UP7 NAD 0.02601 0.40837 2.15827
4 5LRT ADP 0.03511 0.40197 2.16535
5 4PAB THG 0.006276 0.43501 2.41379
6 3ZJX BOG 0.008442 0.40681 2.42215
7 3E7O 35F 0.02158 0.42527 2.58621
8 1CT9 AMP 0.01229 0.40818 2.58621
9 2BGS NDP 0.0182 0.4241 2.61628
10 1REQ DCA 0.01892 0.43314 2.93103
11 4F0E 0RU 0.01409 0.40222 3
12 2X4Z X4Z 0.02404 0.41936 3.04054
13 2QIA U20 0.03019 0.41559 3.05344
14 2RDE C2E 0.002721 0.44637 3.18725
15 3NTD FAD 0.04966 0.41077 3.27586
16 1UNH IXM 0.01678 0.40738 3.42466
17 3T1A 5MA 0.01369 0.41195 3.73002
18 3TAO PGH 0.01056 0.41322 3.74532
19 5DYO FLU 0.008769 0.40464 3.77358
20 2RI1 GLP 0.01144 0.40307 3.82979
21 1PS9 FMN 0.02993 0.40593 3.87481
22 4FXQ G9L 0.0052 0.4084 3.91304
23 4L3L 5FI 0.02741 0.41585 3.94737
24 5HV7 RBL 0.0002051 0.49839 4.12844
25 4Q4K FMN 0.04079 0.40034 4.20168
26 4GLW NMN 0.007608 0.40561 4.2623
27 3UWV 2PG 0.006409 0.43779 4.5977
28 3ESS 18N 0.0007575 0.45792 4.78261
29 2W5P CL8 0.00348 0.42003 5.36913
30 5A6N U7E 0.02585 0.40078 5.65371
31 5KJW 53C 0.006585 0.4135 5.8548
32 2J9D ADP 0.000594 0.49704 5.88235
33 2J9D AMP 0.0004699 0.49648 5.88235
34 2J9C ATP 0.0009598 0.49214 5.88235
35 2G30 ALA ALA PHE 0.0009598 0.4078 6.20155
36 4USI ATP 0.002371 0.46027 6.49351
37 2BKX F6R 0.0004095 0.40433 6.61157
38 3O9L LPN 0.01481 0.43506 6.62651
39 4O9C COA 0.02685 0.40057 6.87023
40 1ZGD NAP 0.007022 0.44544 7.05128
41 2XBP ATP 0.003606 0.46685 7.07965
42 5CIC 51R 0.008723 0.40377 7.40741
43 1UGY GLA GLC 0.002938 0.4272 7.5188
44 4Q3F TLA 0.007761 0.41041 7.69231
45 3KRB NAP 0.02553 0.41108 9.28144
46 4CO3 ATP 0.006972 0.44505 9.82143
47 5F6U 5VK 0.002514 0.4391 10.1911
48 4FK7 P34 0.0007826 0.45929 10.4803
49 5TCI MLI 0.007805 0.40847 12.9268
50 2A9K NAD 0.01064 0.42475 14.4385
51 2QHS OCA 0.002298 0.40055 14.7679
52 2QHV OC9 0.002284 0.40826 16.6667
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