Receptor
PDB id Resolution Class Description Source Keywords
1B7Y 2.5 Å EC: 6.1.1.20 PHENYLALANYL TRNA SYNTHETASE COMPLEXED WITH PHENYLALANINYL-A THERMUS THERMOPHILUS ENZYME TRNA SYNTHETASE ALPHA/BETA HOMODIMER LIGASE
Ref.: CRYSTAL STRUCTURES OF PHENYLALANYL-TRNA SYNTHETASE WITH PHENYLALANINE AND A PHENYLALANYL-ADENYLATE ANA J.MOL.BIOL. V. 287 555 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FYA A:1002;
Valid;
none;
submit data
480.412 C19 H25 N6 O7 P c1ccc...
MG A:1001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B7Y 2.5 Å EC: 6.1.1.20 PHENYLALANYL TRNA SYNTHETASE COMPLEXED WITH PHENYLALANINYL-A THERMUS THERMOPHILUS ENZYME TRNA SYNTHETASE ALPHA/BETA HOMODIMER LIGASE
Ref.: CRYSTAL STRUCTURES OF PHENYLALANYL-TRNA SYNTHETASE WITH PHENYLALANINE AND A PHENYLALANYL-ADENYLATE ANA J.MOL.BIOL. V. 287 555 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1B7Y - FYA C19 H25 N6 O7 P c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1B7Y - FYA C19 H25 N6 O7 P c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1B7Y - FYA C19 H25 N6 O7 P c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FYA; Similar ligands found: 350
No: Ligand ECFP6 Tc MDL keys Tc
1 FYA 1 1
2 FA5 0.72449 0.945946
3 DLL 0.680412 0.918919
4 A2D 0.666667 0.931507
5 AN2 0.655556 0.893333
6 PRX 0.652174 0.906667
7 BA3 0.651685 0.931507
8 B4P 0.644444 0.931507
9 ADP 0.644444 0.905405
10 AP5 0.644444 0.931507
11 OOB 0.642857 0.918919
12 AT4 0.637363 0.87013
13 APR 0.634409 0.905405
14 AR6 0.634409 0.905405
15 AMP 0.632184 0.930556
16 A 0.632184 0.930556
17 ADX 0.630435 0.817073
18 M33 0.630435 0.893333
19 CA0 0.630435 0.881579
20 5AL 0.625 0.893333
21 YAP 0.625 0.933333
22 50T 0.623656 0.893333
23 ATP 0.623656 0.905405
24 ACP 0.623656 0.906667
25 HEJ 0.623656 0.905405
26 KG4 0.623656 0.881579
27 AQP 0.617021 0.905405
28 5FA 0.617021 0.905405
29 8LQ 0.616162 0.894737
30 SRP 0.612245 0.92
31 8LH 0.612245 0.87013
32 ABM 0.611111 0.905405
33 45A 0.611111 0.905405
34 AGS 0.610526 0.858974
35 SAP 0.610526 0.858974
36 AD9 0.610526 0.881579
37 8LE 0.608247 0.858974
38 AHX 0.598039 0.884615
39 ACQ 0.597938 0.906667
40 ANP 0.597938 0.881579
41 AP2 0.597826 0.894737
42 A12 0.597826 0.894737
43 8QN 0.594059 0.893333
44 OZV 0.594059 0.905405
45 5SV 0.594059 0.860759
46 3UK 0.592233 0.906667
47 SRA 0.588889 0.881579
48 AMO 0.588235 0.92
49 LAD 0.586538 0.873418
50 B5V 0.586538 0.894737
51 ATF 0.585859 0.87013
52 A22 0.584158 0.918919
53 6YZ 0.58 0.906667
54 AU1 0.578947 0.881579
55 25A 0.578431 0.931507
56 RBY 0.57732 0.894737
57 ADV 0.57732 0.894737
58 OAD 0.576923 0.881579
59 HQG 0.574257 0.893333
60 PAJ 0.572816 0.82716
61 A1R 0.572816 0.921053
62 4AD 0.572816 0.907895
63 WAQ 0.571429 0.896104
64 9SN 0.570093 0.860759
65 ADP MG 0.568421 0.90411
66 00A 0.567308 0.871795
67 APC 0.56701 0.894737
68 NB8 0.566038 0.884615
69 1ZZ 0.566038 0.829268
70 ME8 0.566038 0.851852
71 TAT 0.565657 0.87013
72 T99 0.565657 0.87013
73 B5M 0.564815 0.883117
74 9X8 0.561905 0.858974
75 TYM 0.561404 0.945946
76 XAH 0.559633 0.851852
77 A3R 0.557692 0.921053
78 ADQ 0.557692 0.906667
79 PTJ 0.551402 0.8375
80 TXA 0.551402 0.87013
81 3OD 0.551402 0.881579
82 B5Y 0.550459 0.883117
83 9ZD 0.548077 0.848101
84 9ZA 0.548077 0.848101
85 25L 0.546296 0.918919
86 ADP PO3 0.545455 0.90411
87 ATP MG 0.545455 0.90411
88 APC MG 0.545455 0.88
89 YLP 0.54386 0.853659
90 PR8 0.542056 0.886076
91 NXX 0.53913 0.894737
92 DND 0.53913 0.894737
93 BIS 0.537037 0.848101
94 SON 0.536082 0.894737
95 GAP 0.534653 0.857143
96 AFH 0.530973 0.873418
97 GA7 0.530973 0.92
98 48N 0.530435 0.860759
99 YLB 0.529915 0.853659
100 YLC 0.529915 0.851852
101 LMS 0.526882 0.795181
102 4UV 0.526786 0.883117
103 TYR AMP 0.526786 0.907895
104 AMP DBH 0.526786 0.881579
105 DQV 0.526316 0.918919
106 NAI 0.525862 0.871795
107 ADP ALF 0.524272 0.835443
108 ALF ADP 0.524272 0.835443
109 MAP 0.52381 0.858974
110 DAL AMP 0.52381 0.868421
111 JB6 0.522936 0.921053
112 LAQ 0.521739 0.829268
113 IOT 0.521008 0.843373
114 ADP VO4 0.519231 0.893333
115 VO4 ADP 0.519231 0.893333
116 4UU 0.517544 0.883117
117 YLA 0.516667 0.853659
118 AOC 0.515789 0.810811
119 A5D 0.514852 0.8
120 A A 0.513761 0.931507
121 GTA 0.513043 0.829268
122 6V0 0.512821 0.860759
123 AYB 0.512397 0.843373
124 ATP A 0.508929 0.917808
125 ATP A A A 0.508929 0.917808
126 G3A 0.508772 0.860759
127 TXE 0.508475 0.896104
128 YSA 0.504425 0.811765
129 7MD 0.504348 0.875
130 G5P 0.504348 0.860759
131 COD 0.504065 0.823529
132 PAP 0.5 0.891892
133 A3P 0.5 0.90411
134 CNA 0.5 0.92
135 NAX 0.5 0.886076
136 TXD 0.5 0.896104
137 F2R 0.495935 0.831325
138 OMR 0.495798 0.819277
139 8PZ 0.495575 0.811765
140 TSB 0.495327 0.767442
141 A5A 0.495238 0.776471
142 5AS 0.494949 0.770115
143 RAB 0.494253 0.808219
144 XYA 0.494253 0.808219
145 ADN 0.494253 0.808219
146 NAD 0.491935 0.918919
147 139 0.491803 0.886076
148 T5A 0.491803 0.876543
149 UPA 0.491667 0.871795
150 AP0 0.491667 0.860759
151 ADP BMA 0.490909 0.881579
152 SSA 0.490566 0.790698
153 2A5 0.490196 0.881579
154 UP5 0.487395 0.883117
155 4UW 0.487395 0.85
156 54H 0.485981 0.758621
157 VMS 0.485981 0.758621
158 A2R 0.485981 0.893333
159 PPS 0.485714 0.795181
160 ATR 0.485437 0.878378
161 ZID 0.484615 0.906667
162 YLY 0.484375 0.843373
163 3AM 0.484211 0.890411
164 A3D 0.484127 0.906667
165 80F 0.484127 0.853659
166 5N5 0.483146 0.783784
167 5CA 0.481481 0.790698
168 53H 0.481481 0.75
169 NAE 0.48062 0.883117
170 BTX 0.48 0.853659
171 ADJ 0.479675 0.864198
172 7MC 0.479339 0.853659
173 4TC 0.479339 0.884615
174 7D5 0.478723 0.842105
175 AR6 AR6 0.478632 0.905405
176 ARG AMP 0.478632 0.819277
177 MYR AMP 0.477876 0.807229
178 A4D 0.477778 0.783784
179 5CD 0.477778 0.794521
180 NAQ 0.476923 0.860759
181 BT5 0.47619 0.843373
182 A4P 0.47541 0.811765
183 7D3 0.474747 0.820513
184 N0B 0.473282 0.876543
185 M24 0.472868 0.839506
186 LSS 0.472727 0.772727
187 DSZ 0.472727 0.790698
188 52H 0.472222 0.75
189 WSA 0.471074 0.821429
190 7D4 0.470588 0.820513
191 A2P 0.47 0.890411
192 KOY 0.466667 0.792208
193 G5A 0.466667 0.790698
194 H1Q 0.466019 0.891892
195 DZD 0.464567 0.897436
196 EP4 0.462366 0.74359
197 V3L 0.462264 0.905405
198 TAD 0.462185 0.85
199 KAA 0.460177 0.764045
200 GSU 0.460177 0.790698
201 J4G 0.460177 0.907895
202 NSS 0.459459 0.790698
203 6RE 0.459184 0.772152
204 AF3 ADP 3PG 0.459016 0.82716
205 3DH 0.458333 0.763158
206 DTA 0.457447 0.8
207 M2T 0.457447 0.725
208 ITT 0.456311 0.853333
209 NVA LMS 0.455357 0.764045
210 B1U 0.452991 0.728261
211 MTA 0.452632 0.763158
212 NDE 0.452555 0.894737
213 SFG 0.451923 0.786667
214 5X8 0.451923 0.8
215 LEU LMS 0.451327 0.764045
216 J7C 0.45 0.782051
217 F2N 0.447368 0.825581
218 AHZ 0.446281 0.785714
219 NDC 0.446043 0.884615
220 6MZ 0.445545 0.891892
221 AMP NAD 0.445312 0.893333
222 G A A A 0.445312 0.8375
223 0WD 0.445312 0.860759
224 OVE 0.444444 0.844156
225 9K8 0.443478 0.706522
226 2AM 0.443299 0.878378
227 LPA AMP 0.442623 0.807229
228 D3Y 0.441441 0.826667
229 8X1 0.441441 0.764045
230 HFD 0.439252 0.858974
231 JSQ 0.439252 0.858974
232 NA7 0.438596 0.92
233 SMM 0.436364 0.717647
234 FB0 0.435714 0.795455
235 IMO 0.435644 0.864865
236 A3N 0.435644 0.753247
237 649 0.435484 0.795455
238 6IA 0.435185 0.85
239 NAJ PZO 0.435115 0.8375
240 P5A 0.434783 0.775281
241 3NZ 0.434783 0.818182
242 ZAS 0.434343 0.779221
243 4TA 0.434109 0.864198
244 EAD 0.433824 0.8625
245 A3S 0.432692 0.824324
246 NO7 0.432432 0.846154
247 ETB 0.431818 0.802326
248 DCA 0.431818 0.813953
249 GJV 0.431373 0.7625
250 S4M 0.431373 0.717647
251 6AD 0.431193 0.82716
252 U A G G 0.430769 0.848101
253 FAQ 0.430556 0.816092
254 SA8 0.429907 0.740741
255 ARU 0.429825 0.783133
256 FDA 0.429577 0.823529
257 MHZ 0.428571 0.75
258 2SA 0.427273 0.894737
259 MAO 0.427184 0.792683
260 6FA 0.426573 0.853659
261 NJP 0.426357 0.883117
262 4YB 0.42623 0.793103
263 6C6 0.425926 0.92
264 SAH 0.425926 0.779221
265 SAI 0.425926 0.769231
266 FA9 0.425806 0.876543
267 DSH 0.425743 0.782051
268 6K6 0.424779 0.891892
269 A3T 0.424528 0.786667
270 DAT 0.424528 0.893333
271 S7M 0.423423 0.722892
272 A G 0.423077 0.848101
273 SAM 0.422018 0.722892
274 DTP 0.422018 0.893333
275 NDP 0.421875 0.860759
276 P1H 0.421429 0.841463
277 FAS 0.42069 0.864198
278 SFD 0.42069 0.744681
279 FAD 0.42069 0.864198
280 ACO 0.42029 0.786517
281 A7D 0.419048 0.789474
282 FNK 0.418919 0.816092
283 62F 0.418919 0.875
284 EEM 0.418182 0.722892
285 N6P 0.417391 0.902778
286 LQJ 0.416667 0.905405
287 COS 0.416058 0.795455
288 CAO 0.416058 0.786517
289 0T1 0.414815 0.813953
290 COA 0.414815 0.813953
291 AV2 0.414414 0.831169
292 A6D 0.413793 0.73494
293 BYC 0.413793 0.816092
294 A A A 0.413793 0.918919
295 PO4 PO4 A A A A PO4 0.413793 0.890411
296 U A 0.413534 0.871795
297 V1N 0.413223 0.931507
298 AVV 0.412281 0.884615
299 9JJ 0.411765 0.829268
300 A3G 0.411765 0.813333
301 DA 0.411765 0.917808
302 D5M 0.411765 0.917808
303 NEC 0.411765 0.714286
304 8Q2 0.409449 0.784091
305 3AT 0.409091 0.905405
306 0UM 0.408696 0.753086
307 CO6 0.408451 0.795455
308 OZP 0.408 0.78481
309 FAY 0.406667 0.875
310 5AD 0.406593 0.736111
311 TAP 0.405797 0.871795
312 Z5A 0.405797 0.811765
313 AMX 0.405797 0.823529
314 30N 0.405797 0.744681
315 2MC 0.405594 0.76087
316 AAT 0.405405 0.7625
317 BV8 0.404624 0.788889
318 ODP 0.40458 0.85
319 Y3J 0.404255 0.716216
320 3KK 0.404255 0.795455
321 FYN 0.404255 0.813953
322 CA8 0.40411 0.739583
323 COW 0.40411 0.806818
324 RFL 0.403974 0.833333
325 GGZ 0.403509 0.771084
326 KB1 0.403361 0.753086
327 7L1 0.402878 0.786517
328 CMX 0.402878 0.813953
329 SCO 0.402878 0.813953
330 3HC 0.402778 0.804598
331 7D7 0.402174 0.733333
332 101 0.401961 0.891892
333 PGS 0.401869 0.802469
334 NAJ PYZ 0.40146 0.797619
335 YZS 0.401408 0.721649
336 SOP 0.401408 0.795455
337 KGP 0.401408 0.721649
338 OXK 0.401408 0.795455
339 COK 0.401408 0.795455
340 4CA 0.401361 0.806818
341 NPW 0.4 0.875
342 FCX 0.4 0.786517
343 LCV 0.4 0.714286
344 S8M 0.4 0.794872
345 71V 0.4 0.848101
346 0FQ 0.4 0.816092
347 BVT 0.4 0.78022
348 GEK 0.4 0.75
349 FAM 0.4 0.795455
350 SO5 0.4 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1B7Y; Ligand: FYA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1b7y.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1B7Y; Ligand: FYA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1b7y.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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