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Receptor
PDB id Resolution Class Description Source Keywords
2OV4 2.5 Å EC: 6.1.1.2 CRYSTAL STRUCTURE OF B. STEAROTHERMOPHILUS TRYPTOPHANYL TRNA SYNTHETASE IN COMPLEX WITH ADENOSINE TETRAPHOSPHATE GEOBACILLUS STEAROTHERMOPHILUS AMINOACYL-TRNA SYNTHETASE NUCLEOTIDE BINDING SITE ROSSMANNTRANSITION STATE ANALOG INHIBITOR LIGASE
Ref.: CRYSTAL STRUCTURE OF TRYPTOPHANYL-TRNA SYNTHETASE C WITH ADENOSINE-5' TETRAPHOSPHATE: EVIDENCE FOR DIST USE OF CATALYTIC BINDING ENERGY IN AMINO ACID ACTIV CLASS I AMINOACYL-TRNA SYNTHETASES. J.MOL.BIOL. V. 369 108 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANL A:950;
Invalid;
none;
submit data
93.126 C6 H7 N c1ccc...
AQP A:400;
Valid;
none;
Ki = 2 mM
587.161 C10 H17 N5 O16 P4 c1nc(...
CS A:900;
Invalid;
none;
submit data
132.905 Cs [Cs+]
GOL A:930;
A:940;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DK4 1.9 Å EC: 6.1.1.2 CRYSTAL STRUCTURE ANALYSIS OF TRYPTOPHANYL-TRNA SYNTHETASE F BACILLUS STEAROTHERMOPHILUS IN COMPLEX WITH INDOLMYCIN AND GEOBACILLUS STEAROTHERMOPHILUS AARS INHIBITOR LIGASE-LIGASE INHIBITOR COMPLEX
Ref.: SELECTIVE INHIBITION OF BACTERIAL TRYPTOPHANYL-TRNA SYNTHETASES BY INDOLMYCIN IS MECHANISM-BASED. J.BIOL.CHEM. V. 291 255 2016
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1I6K - TYM C21 H24 N7 O8 P c1ccc2c(c1....
2 1MAU - CIT C6 H8 O7 C(C(=O)O)C....
3 1M83 Kd = 0.4 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1I6M - TYM C21 H24 N7 O8 P c1ccc2c(c1....
5 5DK4 Ki = 2 nM 5BX C14 H15 N3 O2 C[C@H](c1c....
6 1I6L - TYM C21 H24 N7 O8 P c1ccc2c(c1....
7 2OV4 Ki = 2 mM AQP C10 H17 N5 O16 P4 c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1I6K - TYM C21 H24 N7 O8 P c1ccc2c(c1....
2 1MAU - CIT C6 H8 O7 C(C(=O)O)C....
3 1M83 Kd = 0.4 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1I6M - TYM C21 H24 N7 O8 P c1ccc2c(c1....
5 5DK4 Ki = 2 nM 5BX C14 H15 N3 O2 C[C@H](c1c....
6 1I6L - TYM C21 H24 N7 O8 P c1ccc2c(c1....
7 2OV4 Ki = 2 mM AQP C10 H17 N5 O16 P4 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1I6K - TYM C21 H24 N7 O8 P c1ccc2c(c1....
2 1MAU - CIT C6 H8 O7 C(C(=O)O)C....
3 1M83 Kd = 0.4 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1I6M - TYM C21 H24 N7 O8 P c1ccc2c(c1....
5 5DK4 Ki = 2 nM 5BX C14 H15 N3 O2 C[C@H](c1c....
6 1I6L - TYM C21 H24 N7 O8 P c1ccc2c(c1....
7 2OV4 Ki = 2 mM AQP C10 H17 N5 O16 P4 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AQP; Similar ligands found: 416
No: Ligand ECFP6 Tc MDL keys Tc
1 5FA 1 1
2 AQP 1 1
3 ATP 0.985507 1
4 HEJ 0.985507 1
5 B4P 0.942029 0.971831
6 AP5 0.942029 0.971831
7 BA3 0.927536 0.971831
8 ADP 0.887324 1
9 A2D 0.871429 0.971831
10 AGS 0.828947 0.945946
11 SAP 0.828947 0.945946
12 6YZ 0.822785 0.972222
13 25L 0.8 0.985915
14 AT4 0.8 0.958904
15 AN2 0.8 0.985915
16 APR 0.792208 0.971831
17 AR6 0.792208 0.971831
18 M33 0.789474 0.958333
19 T99 0.78481 0.958904
20 ACQ 0.78481 0.972222
21 TAT 0.78481 0.958904
22 AD9 0.782051 0.972222
23 ACP 0.779221 0.972222
24 A 0.777778 0.971429
25 AMP 0.777778 0.971429
26 ANP 0.7625 0.972222
27 CA0 0.74359 0.945205
28 ADX 0.74359 0.873418
29 A22 0.738095 0.985915
30 50T 0.734177 0.958333
31 APC 0.725 0.958904
32 PRX 0.725 0.893333
33 ABM 0.723684 0.917808
34 ATF 0.722892 0.958904
35 ITT 0.721519 0.943662
36 7D4 0.721519 0.905405
37 A3R 0.72093 0.907895
38 ADQ 0.72093 0.945205
39 AP2 0.705128 0.958904
40 A12 0.705128 0.958904
41 A1R 0.701149 0.907895
42 SRA 0.697368 0.918919
43 G5P 0.691489 0.921053
44 5AL 0.690476 0.931507
45 HFD 0.686747 0.945946
46 OAD 0.685393 0.945205
47 9X8 0.685393 0.92
48 G3A 0.680851 0.921053
49 AU1 0.679012 0.972222
50 SRP 0.674419 0.906667
51 25A 0.670455 0.971831
52 8QN 0.670455 0.931507
53 3OD 0.67033 0.945205
54 GTA 0.666667 0.886076
55 UP5 0.663265 0.92
56 4AD 0.662921 0.92
57 00A 0.655556 0.883117
58 ADV 0.654762 0.932432
59 RBY 0.654762 0.932432
60 ADP PO3 0.654762 0.943662
61 BIS 0.652174 0.933333
62 OOB 0.651685 0.931507
63 5SV 0.651685 0.848101
64 PAJ 0.644444 0.884615
65 AMO 0.644444 0.932432
66 A4P 0.643564 0.843373
67 2A5 0.642857 0.918919
68 MAP 0.640449 0.945946
69 3AT 0.639535 0.971831
70 DLL 0.637363 0.931507
71 AHX 0.637363 0.896104
72 ATR 0.635294 0.971429
73 PAP 0.635294 0.985714
74 PTJ 0.634409 0.896104
75 T5A 0.631068 0.841463
76 3UK 0.630435 0.918919
77 7D3 0.62963 0.905405
78 SON 0.626506 0.932432
79 ALF ADP 0.625 0.87013
80 ADP ALF 0.625 0.87013
81 WAQ 0.623656 0.883117
82 PR8 0.623656 0.85
83 B5V 0.623656 0.906667
84 LAD 0.623656 0.860759
85 AFH 0.622449 0.884615
86 DTP 0.62069 0.905405
87 GAP 0.62069 0.893333
88 LMS 0.620253 0.82716
89 ADP VO4 0.617977 0.931507
90 VO4 ADP 0.617977 0.931507
91 1ZZ 0.617021 0.839506
92 NB8 0.617021 0.896104
93 TXA 0.617021 0.932432
94 FYA 0.617021 0.905405
95 ME8 0.617021 0.839506
96 DQV 0.616162 0.958333
97 RAB 0.611111 0.84507
98 XYA 0.611111 0.84507
99 ADN 0.611111 0.84507
100 DAL AMP 0.604396 0.905405
101 9SN 0.604167 0.871795
102 48N 0.60396 0.896104
103 AP0 0.601942 0.896104
104 NAI 0.598039 0.907895
105 6V0 0.598039 0.896104
106 DND 0.598039 0.932432
107 TXD 0.598039 0.907895
108 NAX 0.598039 0.873418
109 NXX 0.598039 0.932432
110 YAP 0.597938 0.894737
111 B5Y 0.597938 0.894737
112 B5M 0.597938 0.894737
113 FA5 0.597938 0.906667
114 9ZA 0.597826 0.907895
115 9ZD 0.597826 0.907895
116 ADP BMA 0.595745 0.918919
117 A2R 0.593407 0.985915
118 OMR 0.592233 0.851852
119 TXE 0.592233 0.907895
120 XAH 0.591837 0.839506
121 7DT 0.586207 0.985714
122 4UV 0.585859 0.894737
123 AOC 0.585366 0.821918
124 139 0.584906 0.873418
125 DDS 0.58427 0.878378
126 CNA 0.579439 0.932432
127 6AD 0.577778 0.909091
128 5AS 0.576471 0.77907
129 GA7 0.574257 0.906667
130 4UU 0.574257 0.894737
131 5N5 0.573333 0.819444
132 4TC 0.571429 0.896104
133 ADJ 0.570093 0.851852
134 A4D 0.565789 0.819444
135 5CD 0.565789 0.805556
136 RGT 0.565657 0.958904
137 A3P 0.564706 0.971429
138 LAQ 0.563107 0.839506
139 7D5 0.5625 0.878378
140 F2R 0.559633 0.864198
141 80F 0.558559 0.841463
142 YLP 0.557692 0.819277
143 A A 0.556701 0.944444
144 UPA 0.556604 0.907895
145 COD 0.554545 0.811765
146 AV2 0.554348 0.917808
147 4UW 0.552381 0.860759
148 JB6 0.55102 0.883117
149 ATP A A A 0.55 0.930556
150 3AM 0.548781 0.929577
151 TYM 0.54717 0.906667
152 A2P 0.546512 0.957143
153 NA7 0.546392 0.958904
154 MYR AMP 0.545455 0.817073
155 EP4 0.544304 0.753247
156 PPS 0.543478 0.873418
157 YLC 0.542056 0.839506
158 YLB 0.542056 0.819277
159 NAD 0.540541 0.931507
160 DAT 0.539326 0.905405
161 TYR AMP 0.539216 0.87013
162 G5A 0.538462 0.77907
163 128 0.537736 0.776471
164 M2T 0.5375 0.734177
165 DTA 0.5375 0.786667
166 TSB 0.536842 0.819277
167 3DH 0.536585 0.773333
168 AHZ 0.533333 0.817073
169 IOT 0.53211 0.831325
170 SSA 0.531915 0.8
171 GTP 0.531915 0.92
172 A3D 0.530973 0.918919
173 MTA 0.530864 0.773333
174 AR6 AR6 0.528846 0.917808
175 ARG AMP 0.528846 0.829268
176 7MD 0.528846 0.8625
177 YLA 0.527273 0.819277
178 VMS 0.526316 0.788235
179 54H 0.526316 0.788235
180 AMP DBH 0.524272 0.893333
181 TAD 0.52381 0.884615
182 IMO 0.523256 0.929577
183 AYB 0.522523 0.809524
184 HDV 0.521277 0.893333
185 A5A 0.521277 0.807229
186 EAD 0.521008 0.873418
187 2AM 0.518072 0.943662
188 6RE 0.517647 0.759494
189 7DD 0.516854 0.985714
190 V3L 0.516129 0.971831
191 AVV 0.515464 0.896104
192 BTX 0.513274 0.841463
193 NAE 0.512821 0.894737
194 52H 0.510417 0.77907
195 NSS 0.510204 0.8
196 BT5 0.508772 0.831325
197 NAQ 0.508475 0.871795
198 ZAS 0.505882 0.766234
199 J7C 0.505747 0.769231
200 A3N 0.505747 0.786667
201 5X8 0.505495 0.763158
202 8X1 0.505155 0.752809
203 5CA 0.505155 0.8
204 53H 0.505155 0.77907
205 ARU 0.50505 0.860759
206 NVA LMS 0.50505 0.752809
207 9K8 0.504951 0.714286
208 AF3 ADP 3PG 0.504587 0.8375
209 ZID 0.504202 0.918919
210 P1H 0.504065 0.851852
211 LPA AMP 0.5 0.817073
212 6G0 0.5 0.884615
213 7MC 0.5 0.841463
214 LEU LMS 0.5 0.752809
215 S4M 0.5 0.666667
216 OVE 0.5 0.905405
217 FB0 0.496 0.804598
218 DZD 0.495652 0.884615
219 P5A 0.49505 0.744444
220 LSS 0.494949 0.761364
221 DSZ 0.494949 0.8
222 MAO 0.494382 0.759036
223 DSH 0.494253 0.725
224 NDE 0.491935 0.932432
225 N0B 0.491667 0.819277
226 YLY 0.491525 0.809524
227 M24 0.491525 0.85
228 NJP 0.491228 0.945946
229 MGP 0.489583 0.884615
230 GP3 0.489362 0.921053
231 6C6 0.489362 0.881579
232 NAJ PZO 0.487179 0.848101
233 0WD 0.486957 0.921053
234 6FA 0.484375 0.841463
235 GJV 0.483146 0.75
236 5AD 0.480519 0.746479
237 GSU 0.480392 0.77907
238 KAA 0.480392 0.752809
239 ODP 0.478261 0.909091
240 71V 0.477778 0.907895
241 A3G 0.477273 0.8
242 NEC 0.477273 0.746667
243 FAS 0.476923 0.851852
244 FAD 0.476923 0.851852
245 FDA 0.476562 0.833333
246 N6P 0.475248 0.915493
247 7D7 0.474359 0.743243
248 2SA 0.474227 0.932432
249 G A A A 0.474138 0.871795
250 4TA 0.474138 0.807229
251 AMP NAD 0.474138 0.905405
252 NPW 0.473684 0.886076
253 NDP 0.473684 0.921053
254 SFG 0.473118 0.75
255 NDC 0.472441 0.871795
256 YSA 0.471698 0.77907
257 NAJ PYZ 0.471074 0.807229
258 NZQ 0.469565 0.909091
259 TXP 0.469565 0.921053
260 MGO 0.469388 0.860759
261 6IA 0.46875 0.8375
262 GDP 0.46875 0.92
263 A7D 0.467391 0.776316
264 SFD 0.465649 0.734043
265 12D 0.463636 0.785714
266 SA8 0.463158 0.707317
267 A5D 0.463158 0.786667
268 ZDA 0.463158 0.864865
269 62F 0.462687 0.8625
270 MHZ 0.462366 0.697674
271 PGS 0.462366 0.883117
272 8PZ 0.462264 0.8
273 D5M 0.460674 0.878378
274 DA 0.460674 0.878378
275 GGZ 0.46 0.825
276 FAY 0.459259 0.8625
277 SAI 0.458333 0.734177
278 SAH 0.458333 0.74359
279 A3T 0.457447 0.821918
280 Y3J 0.45679 0.726027
281 PO4 PO4 A A A A PO4 0.456311 0.902778
282 RFL 0.455882 0.821429
283 AAM 0.455556 0.971429
284 HF7 0.454545 0.893333
285 SMM 0.454545 0.686047
286 SAM 0.453608 0.690476
287 AMZ 0.453488 0.916667
288 C2R 0.453488 0.90411
289 FNK 0.451852 0.804598
290 A3S 0.451613 0.810811
291 U A 0.45 0.907895
292 7C5 0.449541 0.818182
293 A G 0.449153 0.883117
294 XNP 0.449153 0.873418
295 EEM 0.44898 0.690476
296 AAT 0.44898 0.707317
297 PRT 0.448598 0.931507
298 62X 0.446602 0.666667
299 ETB 0.446281 0.833333
300 DCA 0.446281 0.823529
301 AIR 0.445783 0.901408
302 GSP 0.445545 0.873418
303 U A G G 0.445378 0.883117
304 NIA 0.443182 0.822785
305 PUA 0.442623 0.884615
306 K15 0.442308 0.682353
307 A A A 0.442308 0.905405
308 4YB 0.441441 0.761364
309 6K6 0.441176 0.930556
310 GEK 0.441176 0.7375
311 Z5A 0.44 0.77907
312 1DG 0.44 0.921053
313 S7M 0.44 0.690476
314 DG1 0.44 0.921053
315 0T1 0.439024 0.823529
316 COA 0.439024 0.823529
317 WSA 0.438596 0.788235
318 8Q2 0.434783 0.772727
319 8BR 0.434783 0.906667
320 101 0.433333 0.878378
321 IDP 0.43299 0.918919
322 NVA 2AD 0.43299 0.759494
323 9JJ 0.432624 0.8625
324 NAP 0.432 0.945205
325 APU 0.431034 0.894737
326 A U 0.431034 0.87013
327 COS 0.428571 0.804598
328 CAO 0.428571 0.795455
329 A6D 0.428571 0.722892
330 AMX 0.428571 0.833333
331 30N 0.428571 0.752688
332 J7V 0.428571 0.833333
333 7RP 0.428571 0.928571
334 TAP 0.428571 0.907895
335 V1N 0.427273 0.917808
336 2VA 0.427083 0.8
337 P5F 0.426573 0.823529
338 649 0.426087 0.744444
339 CMX 0.425197 0.823529
340 SCO 0.425197 0.823529
341 NA0 0.425197 0.932432
342 7RA 0.423913 0.957747
343 0UM 0.423077 0.698795
344 GAV 0.423077 0.884615
345 QQY 0.422222 0.815789
346 1RB 0.422222 0.885714
347 ACK 0.422222 0.861111
348 ACO 0.421875 0.795455
349 FAM 0.421875 0.804598
350 FCX 0.421875 0.795455
351 GCP 0.421569 0.896104
352 G1R 0.421569 0.907895
353 F2N 0.42069 0.813953
354 GNH 0.42 0.907895
355 HAX 0.418605 0.804598
356 GDC 0.418182 0.884615
357 GKE 0.418182 0.884615
358 GDD 0.418182 0.884615
359 FA9 0.417808 0.864198
360 9GM 0.417476 0.896104
361 GNP 0.417476 0.896104
362 KB1 0.416667 0.698795
363 2MC 0.416667 0.769231
364 TM1 0.416667 0.77381
365 3AD 0.416667 0.805556
366 H6Y 0.415842 0.945205
367 FYN 0.415385 0.823529
368 3KK 0.415385 0.804598
369 GTG 0.414414 0.886076
370 SO8 0.414141 0.789474
371 7L1 0.414062 0.795455
372 S8M 0.413462 0.759494
373 NHD 0.413223 0.905405
374 COK 0.412214 0.804598
375 MCD 0.412214 0.804598
376 CA6 0.412214 0.729167
377 SOP 0.412214 0.804598
378 OXK 0.412214 0.804598
379 26A 0.411765 0.763158
380 QQX 0.411111 0.805195
381 YE1 0.410448 0.813953
382 CO6 0.409091 0.804598
383 NMX 0.409091 0.76087
384 CMC 0.409091 0.804598
385 1VU 0.409091 0.795455
386 FAI 0.408602 0.916667
387 RMB 0.408602 0.873239
388 AS 0.408602 0.833333
389 SCA 0.407407 0.804598
390 SXZ 0.407407 0.710843
391 ANZ 0.40708 0.8
392 SCD 0.406015 0.823529
393 CAJ 0.406015 0.804598
394 EO7 0.404255 0.788235
395 D3Y 0.403846 0.789474
396 KH3 0.403509 0.674419
397 SLU 0.403226 0.770115
398 A C A C 0.403226 0.848101
399 3HC 0.402985 0.813953
400 MLC 0.402985 0.804598
401 IVC 0.402985 0.813953
402 1HE 0.402985 0.786517
403 A1S 0.402985 0.804598
404 BCO 0.402985 0.804598
405 CC5 0.402439 0.816901
406 5GP 0.402062 0.906667
407 G 0.402062 0.906667
408 NMN AMP PO4 0.401639 0.87013
409 MCA 0.4 0.795455
410 2BA 0.4 0.915493
411 COO 0.4 0.804598
412 3L1 0.4 0.773333
413 VRT 0.4 0.769231
414 CMP 0.4 0.901408
415 3D1 0.4 0.773333
416 CAA 0.4 0.813953
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DK4; Ligand: 5BX; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 5dk4.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 5Y0T TAT 0.911854
3 3C8Z 5CA 1.21581
4 5O0B 9FE 1.23457
5 1L7N ALF 1.4218
6 5V49 MET 1.51976
7 4XDA RIB 1.61812
8 5Y0Q APC 1.82371
9 5Y0N ATP 1.82371
10 5W8X UDP 1.82371
11 3CB2 GDP 1.82371
12 3KO0 TFP 1.9802
13 2PID YSA 2.12766
14 1P7T PYR 2.12766
15 1D8C GLV 2.12766
16 3QPB R1P 2.12766
17 5JU6 BGC 2.12766
18 2WN6 NDP 2.12766
19 6GN6 GLC 2.12766
20 2VRQ XYP XYP AHR 2.12766
21 1KQN NAD 2.15054
22 4ZEV M6P 2.36486
23 1PFY MSP 2.43161
24 1MJT ITU 2.43161
25 5C9P FUC 2.43161
26 1DNP MHF 2.43161
27 5ZZO FLC 2.48756
28 3NOJ PYR 2.52101
29 5OFW 9TW 2.69058
30 6CI9 F3V 2.7027
31 1NXJ TLA 2.73224
32 2FN1 PYR 2.73556
33 6F5W KG1 2.73556
34 3BOF HCS 2.73556
35 1Q8A HCS 2.73556
36 3QDT A2G GAL 2.7972
37 3QDX A2G GAL 2.7972
38 3COW 52H 2.99003
39 2G3F IZC 3.03951
40 5XET ME8 3.03951
41 4MAF ADX 3.03951
42 5OD2 GLC 3.03951
43 4A4Z ANP 3.03951
44 6C90 ADP 3.03951
45 2Q8G AZX 3.03951
46 1JIL 485 3.03951
47 4DZ1 DAL 3.0888
48 3UYW TAU 3.27103
49 3BFV ADP 3.32103
50 1UA4 GLC 3.34347
51 1UA4 BGC 3.34347
52 1UOU CMU 3.34347
53 1UZ4 IFL 3.34347
54 4IID NOJ 3.34347
55 1P4A PCP 3.50877
56 4MN3 ACE PHE ALA TYR M3L SER NH2 3.57143
57 3R75 PYR 3.64742
58 6BSW UDP 3.64742
59 1RPN GDP 3.64742
60 5JBE MAL 3.64742
61 3L8G GMB 3.74332
62 5X3D 7XL 3.75
63 1K4M NAD 3.75587
64 3FWY ADP 3.82166
65 1J09 ATP 3.95137
66 1J09 GLU 3.95137
67 4C2C ALA ALA ALA 3.95137
68 2OG2 MLI 3.95137
69 6BYF CIT 4.11765
70 1YUM NCN 4.13223
71 2X3F APC 4.21053
72 2QTR NXX 4.2328
73 3HL4 CDC 4.23729
74 1Q19 SSC 4.25532
75 3CV2 OXL 4.25532
76 1HE1 AF3 4.54545
77 1Y42 TYR 4.55927
78 3KFL ME8 4.55927
79 3OCZ SRA 4.55927
80 6EOM ALA LYS 4.55927
81 5LJW ANP 4.55927
82 5BSH PRO 4.69314
83 2BQP GLC 4.70085
84 5ZDN CDP 4.73934
85 2Z8L NAG FUC SIA GAL 4.80769
86 5Z5I XYP 4.86322
87 1YFS ALA 4.86322
88 5V59 8X1 4.86322
89 2ZJ5 ADP 4.86322
90 1OYY AGS 4.86322
91 2RIF AMP 4.96454
92 2HW1 FRU 5.03356
93 2GN3 MAN 5.15873
94 2GN3 MMA 5.15873
95 1L5Y BEF 5.16129
96 2X1L ADN 5.16717
97 2X1L MET 5.16717
98 1GRN AF3 5.2356
99 3WR7 COA 5.29412
100 5XLX SAH 5.31915
101 4TS1 TYR 5.32915
102 1A8R GTP 5.42986
103 1V47 ADX 5.47112
104 5M6N 7H9 5.47112
105 1GXU 2HP 5.49451
106 3PA8 621 5.51181
107 3FXU TSU 5.57377
108 3A1C ACP 5.57491
109 6CHP F0Y 5.59006
110 3E7S AT2 5.77508
111 3QX9 ATP 5.7971
112 2QJT AMP 6.07903
113 1PIE GLA 6.07903
114 3G2Y GF4 6.08365
115 3R77 QLI 6.2201
116 3F8K COA 6.25
117 3UC5 ATP 6.36943
118 1W0H AMP 6.37255
119 2XZ9 PYR 6.48148
120 3VEH 0GA 6.68693
121 4A91 GLU 6.71141
122 4BKS X6C 6.73077
123 4W9F 3JU 6.73077
124 4B9K TG0 6.73077
125 5NC1 NAG 6.75105
126 3GUZ PAF 6.81818
127 4K30 NLG 6.875
128 6BK3 UDP 7.06638
129 1I7Q PYR 7.25389
130 5VYH FOL 7.29483
131 2EB5 OXL 7.49064
132 3ZIU LSS 7.59878
133 1IH7 GMP 7.59878
134 1JZS MRC 7.59878
135 3ND6 ATP 7.60234
136 3CM2 X23 7.69231
137 5E5U MLI 8.0402
138 4KJU 1RH 8.13953
139 4IF4 BEF 8.17308
140 3G5K BB2 8.19672
141 4A69 I0P 8.20669
142 4LXH C1E 8.30325
143 2VAR AMP 8.30671
144 2VAR KDF 8.30671
145 2VAR KDG 8.30671
146 1X8X TYR 8.38509
147 4R57 ACO 8.52273
148 4NTO 1PW 8.69565
149 5W6Y TRP 8.86076
150 1F9A ATP 8.92857
151 1KC7 PPR 9.11854
152 2RBK VN4 9.1954
153 2GKS ADP 9.42249
154 3ZOA ACR 9.72644
155 2WCV FUC 10
156 2BVE PH5 10.084
157 2VSL MAA LYS PRO PHE 10.4167
158 1VBH PEP 10.6383
159 2V0C LEU LMS 11.2462
160 2Z3U CRR 11.5502
161 2H29 DND 11.6402
162 1O6B ADP 11.8343
163 1N1D C2G 12.4031
164 3AFH GSU 12.462
165 1OFS SUC 12.5
166 3ZLB ANP 14.2857
167 1Q11 TYE 14.5161
168 5LLT DND 15.493
169 4DS0 A2G GAL NAG FUC 15.9509
170 1H3F TYE 16.1094
171 3UW4 MAA CHG PRO 0DQ 18.4783
172 3G6N MET ALA SER 18.8482
173 1X0P FAD 20.979
174 3FGZ BEF 21.0938
175 2CYB TYR 28.7926
176 5MTE BB2 30.6569
177 2CYC TYR 32.5228
178 5N5U 7N8 38.535
179 5N5U AMP 38.535
180 2J5B TYE 38.9058
Pocket No.: 2; Query (leader) PDB : 5DK4; Ligand: 5BX; 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: 5dk4.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DK4; Ligand: ATP; Similar sites found with APoc: 173
This union binding pocket(no: 3) in the query (biounit: 5dk4.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 5Y0T TAT 0.911854
3 3C8Z 5CA 1.21581
4 5O0B 9FE 1.23457
5 1L7N ALF 1.4218
6 5V49 MET 1.51976
7 5Y0Q APC 1.82371
8 5Y0N ATP 1.82371
9 5W8X UDP 1.82371
10 3CB2 GDP 1.82371
11 2PID YSA 2.12766
12 1P7T PYR 2.12766
13 1D8C GLV 2.12766
14 3QPB R1P 2.12766
15 2WN6 NDP 2.12766
16 1KQN NAD 2.15054
17 2AF6 BRU 2.32558
18 4ZEV M6P 2.36486
19 3O94 NCA 2.36967
20 1PFY MSP 2.43161
21 1MJT ITU 2.43161
22 5C9P FUC 2.43161
23 1DNP MHF 2.43161
24 3HQP OXL 2.43161
25 5ZZO FLC 2.48756
26 3NOJ PYR 2.52101
27 5OFW 9TW 2.69058
28 6CI9 F3V 2.7027
29 1NXJ TLA 2.73224
30 2FN1 PYR 2.73556
31 6F5W KG1 2.73556
32 3BOF HCS 2.73556
33 1Q8A HCS 2.73556
34 3QDT A2G GAL 2.7972
35 3QDX A2G GAL 2.7972
36 2CFC KPC 2.8
37 3COW 52H 2.99003
38 2G3F IZC 3.03951
39 5XET ME8 3.03951
40 4MAF ADX 3.03951
41 5OD2 GLC 3.03951
42 4A4Z ANP 3.03951
43 6C90 ADP 3.03951
44 1JIL 485 3.03951
45 4DZ1 DAL 3.0888
46 3UYW TAU 3.27103
47 3BFV ADP 3.32103
48 1UA4 BGC 3.34347
49 1UA4 GLC 3.34347
50 1UOU CMU 3.34347
51 4IID NOJ 3.34347
52 1P4A PCP 3.50877
53 6BSW UDP 3.64742
54 1RPN GDP 3.64742
55 5T96 79J 3.64742
56 3L8G GMB 3.74332
57 5X3D 7XL 3.75
58 1K4M NAD 3.75587
59 3FWY ADP 3.82166
60 1J09 ATP 3.95137
61 1J09 GLU 3.95137
62 4C2C ALA ALA ALA 3.95137
63 2OG2 MLI 3.95137
64 1G7C 5GP 3.95137
65 6BYF CIT 4.11765
66 1YUM NCN 4.13223
67 2X3F APC 4.21053
68 2QTR NXX 4.2328
69 3HL4 CDC 4.23729
70 1Q19 SSC 4.25532
71 3CV2 OXL 4.25532
72 3B9Q MLI 4.30464
73 5X80 SAL 4.375
74 2F5X ASP 4.48718
75 1HE1 AF3 4.54545
76 1Y42 TYR 4.55927
77 3KFL ME8 4.55927
78 3ITJ CIT 4.55927
79 3OCZ SRA 4.55927
80 6EOM ALA LYS 4.55927
81 5LJW ANP 4.55927
82 5BSH PRO 4.69314
83 2BQP GLC 4.70085
84 1TIP F6P 4.71204
85 5ZDN CDP 4.73934
86 2VPE ALA ARG THR MLY GLN THR ALA 4.7619
87 2Z8L NAG FUC SIA GAL 4.80769
88 5Z5I XYP 4.86322
89 1YFS ALA 4.86322
90 5V59 8X1 4.86322
91 1OYY AGS 4.86322
92 2ZJ5 ADP 4.86322
93 2RIF AMP 4.96454
94 2HW1 FRU 5.03356
95 2GN3 MAN 5.15873
96 2GN3 MMA 5.15873
97 1L5Y BEF 5.16129
98 2X1L ADN 5.16717
99 2X1L MET 5.16717
100 1GRN AF3 5.2356
101 1UXX XYP XYP XYP XYP XYP 5.26316
102 3WR7 COA 5.29412
103 5XLX SAH 5.31915
104 4TS1 TYR 5.32915
105 1A8R GTP 5.42986
106 1V47 ADX 5.47112
107 1GXU 2HP 5.49451
108 3PA8 621 5.51181
109 6CHP F0Y 5.59006
110 3E7S AT2 5.77508
111 3QX9 ATP 5.7971
112 2QJT AMP 6.07903
113 1PIE GLA 6.07903
114 3G2Y GF4 6.08365
115 3F8K COA 6.25
116 3UC5 ATP 6.36943
117 1W0H AMP 6.37255
118 2XZ9 PYR 6.48148
119 3VEH 0GA 6.68693
120 4A91 GLU 6.71141
121 4BKS X6C 6.73077
122 4W9F 3JU 6.73077
123 4B9K TG0 6.73077
124 3GUZ PAF 6.81818
125 4K30 NLG 6.875
126 2P0D I3P 6.97674
127 6BK3 UDP 7.06638
128 1I7Q PYR 7.25389
129 5VYH FOL 7.29483
130 2EB5 OXL 7.49064
131 3ZIU LSS 7.59878
132 1IH7 GMP 7.59878
133 1JZS MRC 7.59878
134 3ND6 ATP 7.60234
135 5E5U MLI 8.0402
136 4IF4 BEF 8.17308
137 3G5K BB2 8.19672
138 2VAR AMP 8.30671
139 2VAR KDG 8.30671
140 2VAR KDF 8.30671
141 1X8X TYR 8.38509
142 4R57 ACO 8.52273
143 4NTO 1PW 8.69565
144 5W6Y TRP 8.86076
145 1F9A ATP 8.92857
146 1KC7 PPR 9.11854
147 2RBK VN4 9.1954
148 2GKS ADP 9.42249
149 2WCV FUC 10
150 2BVE PH5 10.084
151 1VBH PEP 10.6383
152 2V0C LEU LMS 11.2462
153 2Z3U CRR 11.5502
154 2H29 DND 11.6402
155 1O6B ADP 11.8343
156 1N1D C2G 12.4031
157 3AFH GSU 12.462
158 1OFS SUC 12.5
159 3ZLB ANP 14.2857
160 1Q11 TYE 14.5161
161 5LLT DND 15.493
162 4DS0 A2G GAL NAG FUC 15.9509
163 1H3F TYE 16.1094
164 5I34 GDP 16.1094
165 3PNA CMP 16.8831
166 3G6N MET ALA SER 18.8482
167 3FGZ BEF 21.0938
168 2CYB TYR 28.7926
169 5MTE BB2 30.6569
170 2CYC TYR 32.5228
171 5N5U AMP 38.535
172 5N5U 7N8 38.535
173 2J5B TYE 38.9058
Pocket No.: 4; Query (leader) PDB : 5DK4; Ligand: ATP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dk4.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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