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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: 326
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 ADP 0.644444 0.905405
9 AP5 0.644444 0.931507
10 B4P 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 CA0 0.630435 0.881579
18 ADX 0.630435 0.817073
19 M33 0.630435 0.893333
20 5AL 0.625 0.893333
21 YAP 0.625 0.933333
22 50T 0.623656 0.893333
23 HEJ 0.623656 0.905405
24 ACP 0.623656 0.906667
25 ATP 0.623656 0.905405
26 AQP 0.617021 0.905405
27 5FA 0.617021 0.905405
28 SRP 0.612245 0.92
29 ABM 0.611111 0.905405
30 AD9 0.610526 0.881579
31 AGS 0.610526 0.858974
32 SAP 0.610526 0.858974
33 AHX 0.598039 0.884615
34 ANP 0.597938 0.881579
35 ACQ 0.597938 0.906667
36 A12 0.597826 0.894737
37 AP2 0.597826 0.894737
38 5SV 0.594059 0.860759
39 8QN 0.594059 0.893333
40 3UK 0.592233 0.906667
41 SRA 0.588889 0.881579
42 AMO 0.588235 0.92
43 B5V 0.586538 0.894737
44 LAD 0.586538 0.873418
45 ATF 0.585859 0.87013
46 A22 0.584158 0.918919
47 6YZ 0.58 0.906667
48 AU1 0.578947 0.881579
49 25A 0.578431 0.931507
50 RBY 0.57732 0.894737
51 ADV 0.57732 0.894737
52 OAD 0.576923 0.881579
53 A1R 0.572816 0.921053
54 PAJ 0.572816 0.82716
55 4AD 0.572816 0.907895
56 WAQ 0.571429 0.896104
57 9SN 0.570093 0.860759
58 00A 0.567308 0.871795
59 APC 0.56701 0.894737
60 ME8 0.566038 0.851852
61 1ZZ 0.566038 0.829268
62 NB8 0.566038 0.884615
63 T99 0.565657 0.87013
64 TAT 0.565657 0.87013
65 B5M 0.564815 0.883117
66 9X8 0.561905 0.858974
67 TYM 0.561404 0.945946
68 XAH 0.559633 0.851852
69 A3R 0.557692 0.921053
70 ADQ 0.557692 0.906667
71 PTJ 0.551402 0.8375
72 TXA 0.551402 0.87013
73 3OD 0.551402 0.881579
74 B5Y 0.550459 0.883117
75 9ZD 0.548077 0.848101
76 9ZA 0.548077 0.848101
77 25L 0.546296 0.918919
78 ADP PO3 0.545455 0.90411
79 YLP 0.54386 0.853659
80 PR8 0.542056 0.886076
81 DND 0.53913 0.894737
82 NXX 0.53913 0.894737
83 BIS 0.537037 0.848101
84 SON 0.536082 0.894737
85 GAP 0.534653 0.857143
86 AFH 0.530973 0.873418
87 GA7 0.530973 0.92
88 48N 0.530435 0.860759
89 YLC 0.529915 0.851852
90 YLB 0.529915 0.853659
91 LMS 0.526882 0.795181
92 AMP DBH 0.526786 0.881579
93 4UV 0.526786 0.883117
94 TYR AMP 0.526786 0.907895
95 DQV 0.526316 0.918919
96 NAI 0.525862 0.871795
97 ALF ADP 0.524272 0.835443
98 ADP ALF 0.524272 0.835443
99 MAP 0.52381 0.858974
100 DAL AMP 0.52381 0.868421
101 JB6 0.522936 0.921053
102 LAQ 0.521739 0.829268
103 IOT 0.521008 0.843373
104 VO4 ADP 0.519231 0.893333
105 ADP VO4 0.519231 0.893333
106 4UU 0.517544 0.883117
107 YLA 0.516667 0.853659
108 AOC 0.515789 0.810811
109 A5D 0.514852 0.8
110 A A 0.513761 0.931507
111 GTA 0.513043 0.829268
112 6V0 0.512821 0.860759
113 AYB 0.512397 0.843373
114 ATP A A A 0.508929 0.917808
115 G3A 0.508772 0.860759
116 TXE 0.508475 0.896104
117 YSA 0.504425 0.811765
118 7MD 0.504348 0.875
119 G5P 0.504348 0.860759
120 COD 0.504065 0.823529
121 CNA 0.5 0.92
122 TXD 0.5 0.896104
123 A3P 0.5 0.90411
124 NAX 0.5 0.886076
125 PAP 0.5 0.891892
126 F2R 0.495935 0.831325
127 OMR 0.495798 0.819277
128 8PZ 0.495575 0.811765
129 TSB 0.495327 0.767442
130 A5A 0.495238 0.776471
131 5AS 0.494949 0.770115
132 RAB 0.494253 0.808219
133 ADN 0.494253 0.808219
134 XYA 0.494253 0.808219
135 NAD 0.491935 0.918919
136 T5A 0.491803 0.876543
137 139 0.491803 0.886076
138 UPA 0.491667 0.871795
139 AP0 0.491667 0.860759
140 ADP BMA 0.490909 0.881579
141 SSA 0.490566 0.790698
142 2A5 0.490196 0.881579
143 UP5 0.487395 0.883117
144 4UW 0.487395 0.85
145 A2R 0.485981 0.893333
146 VMS 0.485981 0.758621
147 54H 0.485981 0.758621
148 PPS 0.485714 0.795181
149 ATR 0.485437 0.878378
150 ZID 0.484615 0.906667
151 YLY 0.484375 0.843373
152 3AM 0.484211 0.890411
153 A3D 0.484127 0.906667
154 80F 0.484127 0.853659
155 5N5 0.483146 0.783784
156 53H 0.481481 0.75
157 5CA 0.481481 0.790698
158 NAE 0.48062 0.883117
159 BTX 0.48 0.853659
160 ADJ 0.479675 0.864198
161 4TC 0.479339 0.884615
162 7MC 0.479339 0.853659
163 7D5 0.478723 0.842105
164 ARG AMP 0.478632 0.819277
165 AR6 AR6 0.478632 0.905405
166 MYR AMP 0.477876 0.807229
167 5CD 0.477778 0.794521
168 A4D 0.477778 0.783784
169 NAQ 0.476923 0.860759
170 BT5 0.47619 0.843373
171 A4P 0.47541 0.811765
172 7D3 0.474747 0.820513
173 N0B 0.473282 0.876543
174 M24 0.472868 0.839506
175 LSS 0.472727 0.772727
176 DSZ 0.472727 0.790698
177 52H 0.472222 0.75
178 WSA 0.471074 0.821429
179 7D4 0.470588 0.820513
180 A2P 0.47 0.890411
181 G5A 0.466667 0.790698
182 DZD 0.464567 0.897436
183 EP4 0.462366 0.74359
184 V3L 0.462264 0.905405
185 TAD 0.462185 0.85
186 KAA 0.460177 0.764045
187 GSU 0.460177 0.790698
188 NSS 0.459459 0.790698
189 6RE 0.459184 0.772152
190 AF3 ADP 3PG 0.459016 0.82716
191 3DH 0.458333 0.763158
192 DTA 0.457447 0.8
193 M2T 0.457447 0.725
194 ITT 0.456311 0.853333
195 NVA LMS 0.455357 0.764045
196 MTA 0.452632 0.763158
197 NDE 0.452555 0.894737
198 5X8 0.451923 0.8
199 SFG 0.451923 0.786667
200 LEU LMS 0.451327 0.764045
201 J7C 0.45 0.782051
202 F2N 0.447368 0.825581
203 AHZ 0.446281 0.785714
204 NDC 0.446043 0.884615
205 0WD 0.445312 0.860759
206 AMP NAD 0.445312 0.893333
207 G A A A 0.445312 0.8375
208 OVE 0.444444 0.844156
209 9K8 0.443478 0.706522
210 2AM 0.443299 0.878378
211 LPA AMP 0.442623 0.807229
212 8X1 0.441441 0.764045
213 D3Y 0.441441 0.826667
214 HFD 0.439252 0.858974
215 NA7 0.438596 0.92
216 SMM 0.436364 0.717647
217 FB0 0.435714 0.795455
218 A3N 0.435644 0.753247
219 IMO 0.435644 0.864865
220 649 0.435484 0.795455
221 6IA 0.435185 0.85
222 NAJ PZO 0.435115 0.8375
223 P5A 0.434783 0.775281
224 3NZ 0.434783 0.818182
225 ZAS 0.434343 0.779221
226 4TA 0.434109 0.864198
227 EAD 0.433824 0.8625
228 A3S 0.432692 0.824324
229 DCA 0.431818 0.813953
230 ETB 0.431818 0.802326
231 S4M 0.431373 0.717647
232 GJV 0.431373 0.7625
233 6AD 0.431193 0.82716
234 U A G G 0.430769 0.848101
235 FAQ 0.430556 0.816092
236 SA8 0.429907 0.740741
237 ARU 0.429825 0.783133
238 FDA 0.429577 0.823529
239 MHZ 0.428571 0.75
240 2SA 0.427273 0.894737
241 MAO 0.427184 0.792683
242 6FA 0.426573 0.853659
243 NJP 0.426357 0.883117
244 4YB 0.42623 0.793103
245 SAI 0.425926 0.769231
246 SAH 0.425926 0.779221
247 6C6 0.425926 0.92
248 FA9 0.425806 0.876543
249 DSH 0.425743 0.782051
250 6K6 0.424779 0.891892
251 DAT 0.424528 0.893333
252 A3T 0.424528 0.786667
253 S7M 0.423423 0.722892
254 A G 0.423077 0.848101
255 SAM 0.422018 0.722892
256 DTP 0.422018 0.893333
257 NDP 0.421875 0.860759
258 P1H 0.421429 0.841463
259 FAD 0.42069 0.864198
260 FAS 0.42069 0.864198
261 SFD 0.42069 0.744681
262 ACO 0.42029 0.786517
263 A7D 0.419048 0.789474
264 FNK 0.418919 0.816092
265 62F 0.418919 0.875
266 EEM 0.418182 0.722892
267 N6P 0.417391 0.902778
268 CAO 0.416058 0.786517
269 COS 0.416058 0.795455
270 COA 0.414815 0.813953
271 0T1 0.414815 0.813953
272 AV2 0.414414 0.831169
273 A6D 0.413793 0.73494
274 PO4 PO4 A A A A PO4 0.413793 0.890411
275 BYC 0.413793 0.816092
276 A A A 0.413793 0.918919
277 U A 0.413534 0.871795
278 V1N 0.413223 0.931507
279 AVV 0.412281 0.884615
280 A3G 0.411765 0.813333
281 NEC 0.411765 0.714286
282 D5M 0.411765 0.917808
283 DA 0.411765 0.917808
284 9JJ 0.411765 0.829268
285 8Q2 0.409449 0.784091
286 3AT 0.409091 0.905405
287 0UM 0.408696 0.753086
288 CO6 0.408451 0.795455
289 FAY 0.406667 0.875
290 5AD 0.406593 0.736111
291 TAP 0.405797 0.871795
292 30N 0.405797 0.744681
293 Z5A 0.405797 0.811765
294 AMX 0.405797 0.823529
295 2MC 0.405594 0.76087
296 AAT 0.405405 0.7625
297 BV8 0.404624 0.788889
298 ODP 0.40458 0.85
299 3KK 0.404255 0.795455
300 FYN 0.404255 0.813953
301 Y3J 0.404255 0.716216
302 COW 0.40411 0.806818
303 CA8 0.40411 0.739583
304 RFL 0.403974 0.833333
305 GGZ 0.403509 0.771084
306 KB1 0.403361 0.753086
307 CMX 0.402878 0.813953
308 7L1 0.402878 0.786517
309 SCO 0.402878 0.813953
310 3HC 0.402778 0.804598
311 7D7 0.402174 0.733333
312 101 0.401961 0.891892
313 PGS 0.401869 0.802469
314 NAJ PYZ 0.40146 0.797619
315 COK 0.401408 0.795455
316 OXK 0.401408 0.795455
317 SOP 0.401408 0.795455
318 4CA 0.401361 0.806818
319 FCX 0.4 0.786517
320 FAM 0.4 0.795455
321 71V 0.4 0.848101
322 NPW 0.4 0.875
323 BVT 0.4 0.78022
324 GEK 0.4 0.75
325 S8M 0.4 0.794872
326 0FQ 0.4 0.816092
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: 161
This union binding pocket(no: 1) in the query (biounit: 1b7y.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6F97 FAD 1.71429
2 3IAL PR8 1.73745
3 5T8U LPA 2
4 5H9Y BGC BGC BGC BGC 2.47748
5 1T3D CYS 2.76817
6 5LUN OGA 3.125
7 2E5A LAQ 3.17003
8 3HXU A5A 3.1746
9 1JQN DCO 3.42857
10 4WOE ADP 3.42857
11 5MRH Q9Z 3.42857
12 2ART LPA AMP 3.43511
13 2VCN ISZ 3.44828
14 4FE2 AIR 3.52941
15 3GD9 GLC BGC BGC BGC 3.54223
16 5XIJ ANP 3.6
17 5XIJ 873 3.6
18 1G51 AMO 3.71429
19 4YDQ HFG 3.71429
20 4YDQ ANP 3.71429
21 1RJW ETF 3.83481
22 1YFS ALA 3.87097
23 4HWS 1B3 3.89294
24 12AS AMP 3.93939
25 4HIA FMN 3.97727
26 1X54 4AD 4
27 3UH0 TSB 4
28 3CBC DBS 4.0404
29 4GCZ FMN 4.28571
30 1GPM CIT 4.28571
31 1TV5 ORO 4.28894
32 5SVV FMN 4.37956
33 5JJU AMP 4.41176
34 4YVN EBS 4.48343
35 1SES AHX 4.57143
36 1SES AMP 4.57143
37 3ERR AMP 4.57143
38 3G1Z AMP 4.60123
39 6FA4 D1W 4.62428
40 2GQS C2R 4.64135
41 5T96 79J 4.67836
42 3NEM ATP 4.85714
43 3NEM AMO 4.85714
44 5NC9 8SZ 4.8583
45 3A5Y KAA 4.92754
46 2Z3U CRR 4.94118
47 2XGT NSS 5.05747
48 3E7S AT2 5.10441
49 4MOB ADP 5.12048
50 3E9I XAH 5.14286
51 2ZTG A5A 5.14286
52 4RF7 ARG 5.14286
53 1E1O LYS 5.15873
54 3ZJX BOG 5.19031
55 1O6B ADP 5.32544
56 6E1Q CFA 5.42857
57 2J5B TYE 5.45977
58 2VL1 GLY GLY 5.48523
59 2CJA ATP 5.55556
60 2RDE C2E 5.57769
61 3SAO DBH 5.625
62 3A16 PXO 5.71429
63 3CV2 COA 5.71429
64 2QPU QPU 5.71429
65 2OJW ADP 5.72917
66 2CJ9 SSA 5.74713
67 2G30 ALA ALA PHE 5.81395
68 5N1P 8GK 5.82524
69 2BVE PH5 5.88235
70 2HJ4 PNZ 5.92593
71 5M6N 7H9 5.9322
72 1RYD GLC 6
73 4MTI 2DX 6.08696
74 5HWV MBN 6.15385
75 3KYG 5GP 5GP 6.1674
76 6BSW UDP 6.21302
77 5XIO ANP 6.28571
78 5XIO HFG 6.28571
79 5VAD PRO 6.28571
80 5VAD 91Y 6.28571
81 6EK3 OUL 6.33484
82 5DYO FLU 6.42202
83 5D9G GLU ASN LEU TYR PHE GLN 6.50407
84 5WHT SIA GAL GLC 6.52174
85 5WHT SIA GAL 6.52174
86 5WHT SIA 6.52174
87 3A5Z KAA 6.80628
88 3TY3 GGG 6.85714
89 2Z6D FMN 6.92308
90 3MF2 AMP 6.93642
91 3QO8 SSA 7.14286
92 5F7U GLC GLC 7.14286
93 1USF NAP 7.30337
94 4RHS SIA SIA GAL 7.37705
95 1WLE SRP 7.38523
96 2D24 XYS XYS 7.42857
97 3UW4 MAA CHG PRO 0DQ 7.6087
98 4RW3 DKA 7.61589
99 4OKE AMP 7.7381
100 1QKQ MAN 7.74648
101 4H2X G5A 7.76699
102 4H2W 5GP 7.76699
103 4H2W AMP 7.76699
104 5Y4R C2E 7.82313
105 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 7.89474
106 2GMM MAN MAN 7.93651
107 2D3N GLC GLC GLC 8
108 1OUK 084 8.19672
109 2OUA AES 8.28571
110 5FUI APY 8.33333
111 5BWD FUM 8.33333
112 2QHS OCA 8.43882
113 5W75 SUC 8.67347
114 5LHT TIH 8.84354
115 6GVZ CHO 8.85246
116 3KYF 5GP 5GP 8.85714
117 3A7R LAQ 8.90208
118 6GBV FMN 8.90411
119 5DKK FMN 8.96552
120 4NS0 PIO 9.02256
121 43CA NPO 9.40171
122 3BJU ATP 9.42857
123 3ESS 18N 9.56522
124 2V0U FMN 9.58904
125 2PR5 FMN 9.84848
126 5VKM GAL SIA 9.87654
127 4DDY DN6 9.88593
128 1PVC ILE SER GLU VAL 10.084
129 2VDF OCT 10.2857
130 5TCI MLI 10.2857
131 2BOS GLA GAL GLC 10.2941
132 5DJT FMN 10.3448
133 5DJU FMN 10.3448
134 3T4L ZEA 10.3704
135 5IDB BMA 10.5634
136 1UYY BGC BGC 10.687
137 2I4O ATP 10.6987
138 1KNM LAT 10.7692
139 4LO6 SIA GAL 10.8571
140 5EJL C2E 10.8871
141 2J3M ATP 11.1429
142 2J3M PRI 11.1429
143 3IWD M2T 11.2903
144 5V59 8X1 11.4286
145 3VRV YSD 11.8081
146 5H9P TD2 12.6582
147 1SDW IYT 12.7389
148 3REU ATP 13.6054
149 3CM2 X23 13.8462
150 5OQW A4E 14.1732
151 4WUJ FMN 14.2857
152 5E6O TRP GLU GLU LEU 15.2542
153 2WKQ FMN 15.3614
154 3H0L ADP 15.9574
155 1ZY5 ANP 16.2857
156 3P7N FMN 17.0543
157 2Z6C FMN 17.8295
158 1H3F TYE 18.0556
159 4H2V AMP 20.9091
160 4CS4 ANP 21.8978
161 4CS4 AXZ 21.8978
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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