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 (2D)
Ligand no: 1; Ligand: FYA; Similar ligands found: 367
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 AP5 0.644444 0.931507
9 B4P 0.644444 0.931507
10 ADP 0.644444 0.905405
11 OOB 0.642857 0.918919
12 AT4 0.637363 0.87013
13 AR6 0.634409 0.905405
14 APR 0.634409 0.905405
15 A 0.632184 0.930556
16 AMP 0.632184 0.930556
17 M33 0.630435 0.893333
18 ADX 0.630435 0.817073
19 CA0 0.630435 0.881579
20 5AL 0.625 0.893333
21 KG4 0.623656 0.881579
22 HEJ 0.623656 0.905405
23 50T 0.623656 0.893333
24 ATP 0.623656 0.905405
25 ACP 0.623656 0.906667
26 5FA 0.617021 0.905405
27 AQP 0.617021 0.905405
28 8LQ 0.616162 0.894737
29 8LH 0.612245 0.87013
30 SRP 0.612245 0.92
31 45A 0.611111 0.905405
32 ABM 0.611111 0.905405
33 AD9 0.610526 0.881579
34 AGS 0.610526 0.858974
35 8LE 0.608247 0.858974
36 AMP MG 0.606742 0.916667
37 QA7 0.6 0.858974
38 AHX 0.598039 0.884615
39 JNT 0.598039 0.932432
40 ANP 0.597938 0.881579
41 ACQ 0.597938 0.906667
42 A12 0.597826 0.894737
43 AP2 0.597826 0.894737
44 OZV 0.594059 0.905405
45 5SV 0.594059 0.860759
46 8QN 0.594059 0.893333
47 3UK 0.592233 0.906667
48 SRA 0.588889 0.881579
49 AMO 0.588235 0.92
50 LAD 0.586538 0.873418
51 B5V 0.586538 0.894737
52 ATF 0.585859 0.87013
53 A22 0.584158 0.918919
54 6YZ 0.58 0.906667
55 AU1 0.578947 0.881579
56 25A 0.578431 0.931507
57 ADV 0.57732 0.894737
58 RBY 0.57732 0.894737
59 OAD 0.576923 0.881579
60 HQG 0.574257 0.893333
61 A1R 0.572816 0.921053
62 PAJ 0.572816 0.82716
63 4AD 0.572816 0.907895
64 WAQ 0.571429 0.896104
65 9SN 0.570093 0.860759
66 ADP MG 0.568421 0.90411
67 ADP BEF 0.568421 0.90411
68 00A 0.567308 0.871795
69 APC 0.56701 0.894737
70 1ZZ 0.566038 0.829268
71 ME8 0.566038 0.851852
72 NB8 0.566038 0.884615
73 TAT 0.565657 0.87013
74 T99 0.565657 0.87013
75 B5M 0.564815 0.883117
76 9X8 0.561905 0.858974
77 TYM 0.561404 0.945946
78 XAH 0.559633 0.851852
79 A3R 0.557692 0.921053
80 ADQ 0.557692 0.906667
81 PTJ 0.551402 0.8375
82 TXA 0.551402 0.87013
83 3OD 0.551402 0.881579
84 B5Y 0.550459 0.883117
85 9ZD 0.548077 0.848101
86 9ZA 0.548077 0.848101
87 25L 0.546296 0.918919
88 ADP PO3 0.545455 0.90411
89 APC MG 0.545455 0.88
90 ATP MG 0.545455 0.90411
91 V2G 0.544554 0.884615
92 YLP 0.54386 0.853659
93 PR8 0.542056 0.886076
94 BEF ADP 0.54 0.88
95 ANP MG 0.539216 0.893333
96 DND 0.53913 0.894737
97 BIS 0.537037 0.848101
98 KMQ 0.536364 0.87013
99 SON 0.536082 0.894737
100 GAP 0.534653 0.857143
101 AFH 0.530973 0.873418
102 GA7 0.530973 0.92
103 48N 0.530435 0.860759
104 YLC 0.529915 0.851852
105 YLB 0.529915 0.853659
106 LMS 0.526882 0.795181
107 4UV 0.526786 0.883117
108 AMP DBH 0.526786 0.881579
109 DQV 0.526316 0.918919
110 NAI 0.525862 0.871795
111 VO4 ADP 0.524272 0.881579
112 ALF ADP 0.524272 0.835443
113 DAL AMP 0.52381 0.868421
114 MAP 0.52381 0.858974
115 JB6 0.522936 0.921053
116 LAQ 0.521739 0.829268
117 IOT 0.521008 0.843373
118 4UU 0.517544 0.883117
119 YLA 0.516667 0.853659
120 AOC 0.515789 0.810811
121 A5D 0.514852 0.8
122 GTA 0.513043 0.829268
123 6V0 0.512821 0.860759
124 AYB 0.512397 0.843373
125 ATP A A A 0.508929 0.917808
126 ATP A 0.508929 0.917808
127 G3A 0.508772 0.860759
128 TXE 0.508475 0.896104
129 YSA 0.504425 0.811765
130 G5P 0.504348 0.860759
131 7MD 0.504348 0.875
132 COD 0.504065 0.823529
133 TXD 0.5 0.896104
134 PAP 0.5 0.891892
135 NAX 0.5 0.886076
136 CNA 0.5 0.92
137 A3P 0.5 0.90411
138 F2R 0.495935 0.831325
139 OMR 0.495798 0.819277
140 8PZ 0.495575 0.811765
141 TSB 0.495327 0.767442
142 A5A 0.495238 0.776471
143 5AS 0.494949 0.770115
144 RAB 0.494253 0.808219
145 XYA 0.494253 0.808219
146 ADN 0.494253 0.808219
147 NAD 0.491935 0.918919
148 139 0.491803 0.886076
149 T5A 0.491803 0.876543
150 AP0 0.491667 0.860759
151 UPA 0.491667 0.871795
152 ADP BMA 0.490909 0.881579
153 SSA 0.490566 0.790698
154 2A5 0.490196 0.881579
155 4UW 0.487395 0.85
156 UP5 0.487395 0.883117
157 VMS 0.485981 0.758621
158 54H 0.485981 0.758621
159 A2R 0.485981 0.893333
160 PPS 0.485714 0.795181
161 ATR 0.485437 0.878378
162 ZID 0.484615 0.906667
163 YLY 0.484375 0.843373
164 3AM 0.484211 0.890411
165 A3D 0.484127 0.906667
166 80F 0.484127 0.853659
167 5N5 0.483146 0.783784
168 53H 0.481481 0.75
169 5CA 0.481481 0.790698
170 D4F 0.48062 0.851852
171 NAE 0.48062 0.883117
172 BTX 0.48 0.853659
173 ADJ 0.479675 0.864198
174 L3W 0.479339 0.87013
175 7MC 0.479339 0.853659
176 4TC 0.479339 0.884615
177 7D5 0.478723 0.842105
178 AR6 AR6 0.478632 0.905405
179 ARG AMP 0.478632 0.819277
180 MYR AMP 0.477876 0.807229
181 5CD 0.477778 0.794521
182 A4D 0.477778 0.783784
183 NAQ 0.476923 0.860759
184 BT5 0.47619 0.843373
185 A4P 0.47541 0.811765
186 7D3 0.474747 0.820513
187 N0B 0.473282 0.876543
188 M24 0.472868 0.839506
189 DSZ 0.472727 0.790698
190 LSS 0.472727 0.772727
191 52H 0.472222 0.75
192 WSA 0.471074 0.821429
193 7D4 0.470588 0.820513
194 A2P 0.47 0.890411
195 NAD IBO 0.467213 0.905405
196 NAD TDB 0.467213 0.905405
197 KOY 0.466667 0.792208
198 G5A 0.466667 0.790698
199 H1Q 0.466019 0.891892
200 DZD 0.464567 0.897436
201 EP4 0.462366 0.74359
202 V3L 0.462264 0.905405
203 TAD 0.462185 0.85
204 J4G 0.460177 0.907895
205 GSU 0.460177 0.790698
206 KAA 0.460177 0.764045
207 NSS 0.459459 0.790698
208 6RE 0.459184 0.772152
209 AF3 ADP 3PG 0.459016 0.82716
210 ALF ADP 3PG 0.459016 0.82716
211 3DH 0.458333 0.763158
212 M2T 0.457447 0.725
213 DTA 0.457447 0.8
214 ITT 0.456311 0.853333
215 NVA LMS 0.455357 0.764045
216 B1U 0.452991 0.728261
217 MTA 0.452632 0.763158
218 NDE 0.452555 0.894737
219 5X8 0.451923 0.8
220 SFG 0.451923 0.786667
221 LEU LMS 0.451327 0.761364
222 J7C 0.45 0.782051
223 F2N 0.447368 0.825581
224 AHZ 0.446281 0.785714
225 NDC 0.446043 0.884615
226 6MZ 0.445545 0.891892
227 0WD 0.445312 0.860759
228 AMP NAD 0.445312 0.893333
229 OVE 0.444444 0.844156
230 9K8 0.443478 0.706522
231 2AM 0.443299 0.878378
232 LPA AMP 0.442623 0.807229
233 8X1 0.441441 0.764045
234 D3Y 0.441441 0.826667
235 HFD 0.439252 0.858974
236 JSQ 0.439252 0.858974
237 FAJ 0.43871 0.865854
238 NA7 0.438596 0.92
239 SMM 0.436364 0.717647
240 FB0 0.435714 0.795455
241 IMO 0.435644 0.864865
242 A3N 0.435644 0.753247
243 649 0.435484 0.795455
244 6IA 0.435185 0.85
245 NAJ PZO 0.435115 0.8375
246 3NZ 0.434783 0.818182
247 P5A 0.434783 0.775281
248 ZAS 0.434343 0.779221
249 4TA 0.434109 0.864198
250 EAD 0.433824 0.8625
251 A3S 0.432692 0.824324
252 NO7 0.432432 0.846154
253 K3K 0.432203 0.792208
254 ETB 0.431818 0.802326
255 DCA 0.431818 0.813953
256 S4M 0.431373 0.717647
257 GJV 0.431373 0.7625
258 6AD 0.431193 0.82716
259 FAQ 0.430556 0.816092
260 SA8 0.429907 0.740741
261 ARU 0.429825 0.783133
262 38V 0.42963 0.851852
263 FDA 0.429577 0.823529
264 MHZ 0.428571 0.75
265 2SA 0.427273 0.894737
266 MAO 0.427184 0.792683
267 6FA 0.426573 0.853659
268 NJP 0.426357 0.883117
269 4YB 0.42623 0.793103
270 SAH 0.425926 0.779221
271 6C6 0.425926 0.92
272 SAI 0.425926 0.769231
273 O02 0.425926 0.860759
274 FA9 0.425806 0.876543
275 DSH 0.425743 0.782051
276 K3E 0.425 0.782051
277 QXP 0.424779 0.735632
278 6K6 0.424779 0.891892
279 A3T 0.424528 0.786667
280 DAT 0.424528 0.893333
281 S7M 0.423423 0.722892
282 DTP 0.422018 0.893333
283 SAM 0.422018 0.722892
284 Q2V 0.421875 0.775
285 NDP 0.421875 0.860759
286 P1H 0.421429 0.841463
287 SFD 0.42069 0.744681
288 FAS 0.42069 0.864198
289 FAD 0.42069 0.864198
290 ACO 0.42029 0.786517
291 A7D 0.419048 0.789474
292 62F 0.418919 0.875
293 FNK 0.418919 0.816092
294 EEM 0.418182 0.722892
295 N6P 0.417391 0.902778
296 LQJ 0.416667 0.905405
297 COS 0.416058 0.795455
298 CAO 0.416058 0.786517
299 KY5 0.415254 0.805195
300 NWW 0.414894 0.726027
301 COA 0.414815 0.813953
302 0T1 0.414815 0.813953
303 KXW 0.414634 0.78481
304 AV2 0.414414 0.831169
305 A6D 0.413793 0.73494
306 BYC 0.413793 0.816092
307 PO4 PO4 A A A A PO4 0.413793 0.890411
308 QXG 0.413793 0.727273
309 V1N 0.413223 0.931507
310 AVV 0.412281 0.884615
311 9JJ 0.411765 0.829268
312 D5M 0.411765 0.917808
313 A3G 0.411765 0.813333
314 DA 0.411765 0.917808
315 NEC 0.411765 0.714286
316 CUU 0.411215 0.905405
317 V47 0.410714 0.773333
318 8Q2 0.409449 0.784091
319 3AT 0.409091 0.905405
320 0UM 0.408696 0.753086
321 CO6 0.408451 0.795455
322 OZP 0.408 0.78481
323 K2R 0.40678 0.868421
324 FAY 0.406667 0.875
325 5AD 0.406593 0.736111
326 AMX 0.405797 0.823529
327 30N 0.405797 0.744681
328 Z5A 0.405797 0.811765
329 TAP 0.405797 0.871795
330 2MC 0.405594 0.76087
331 NAD BBN 0.405405 0.809524
332 AAT 0.405405 0.7625
333 BV8 0.404624 0.788889
334 ODP 0.40458 0.85
335 FYN 0.404255 0.813953
336 Y3J 0.404255 0.716216
337 3KK 0.404255 0.795455
338 COW 0.40411 0.806818
339 CA8 0.40411 0.739583
340 RFL 0.403974 0.833333
341 GGZ 0.403509 0.771084
342 KB1 0.403361 0.753086
343 7L1 0.402878 0.786517
344 CMX 0.402878 0.813953
345 SCO 0.402878 0.813953
346 3HC 0.402778 0.804598
347 7D7 0.402174 0.733333
348 101 0.401961 0.891892
349 PGS 0.401869 0.802469
350 NAJ PYZ 0.40146 0.797619
351 OXK 0.401408 0.795455
352 SOP 0.401408 0.795455
353 COK 0.401408 0.795455
354 KGP 0.401408 0.721649
355 YZS 0.401408 0.721649
356 4CA 0.401361 0.806818
357 SO5 0.4 0.714286
358 0FQ 0.4 0.816092
359 NPW 0.4 0.875
360 FCX 0.4 0.786517
361 FAM 0.4 0.795455
362 71V 0.4 0.848101
363 BVT 0.4 0.78022
364 NAD CJ3 0.4 0.781609
365 GEK 0.4 0.75
366 LCV 0.4 0.714286
367 S8M 0.4 0.794872
Similar Ligands (3D)
Ligand no: 1; Ligand: FYA; Similar ligands found: 0
No: Ligand Similarity coefficient
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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