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;
Kd = 18 uM
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 Kd = 18 uM 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 Kd = 18 uM 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 Kd = 18 uM AQP C10 H17 N5 O16 P4 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AQP; Similar ligands found: 481
No: Ligand ECFP6 Tc MDL keys Tc
1 AQP 1 1
2 5FA 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 6YZ 0.822785 0.972222
12 AN2 0.8 0.985915
13 25L 0.8 0.985915
14 AT4 0.8 0.958904
15 AR6 0.792208 0.971831
16 APR 0.792208 0.971831
17 M33 0.789474 0.958333
18 TAT 0.78481 0.958904
19 T99 0.78481 0.958904
20 ACQ 0.78481 0.972222
21 AD9 0.782051 0.972222
22 ACP 0.779221 0.972222
23 AMP 0.777778 0.971429
24 A 0.777778 0.971429
25 ANP 0.7625 0.972222
26 HQG 0.746988 0.985915
27 ADX 0.74359 0.873418
28 CA0 0.74359 0.945205
29 A22 0.738095 0.985915
30 50T 0.734177 0.958333
31 KG4 0.734177 0.945205
32 APC 0.725 0.958904
33 PRX 0.725 0.893333
34 45A 0.723684 0.917808
35 ABM 0.723684 0.917808
36 ATF 0.722892 0.958904
37 ITT 0.721519 0.943662
38 7D4 0.721519 0.905405
39 A3R 0.72093 0.907895
40 ADQ 0.72093 0.945205
41 AMP MG 0.72 0.929577
42 A12 0.705128 0.958904
43 AP2 0.705128 0.958904
44 A1R 0.701149 0.907895
45 SRA 0.697368 0.918919
46 JNT 0.693182 0.945205
47 G5P 0.691489 0.921053
48 5AL 0.690476 0.931507
49 8LE 0.690476 0.894737
50 ADP BEF 0.6875 0.943662
51 ADP MG 0.6875 0.943662
52 JSQ 0.686747 0.945946
53 HFD 0.686747 0.945946
54 OAD 0.685393 0.945205
55 9X8 0.685393 0.92
56 G3A 0.680851 0.921053
57 AU1 0.679012 0.972222
58 APC MG 0.674699 0.917808
59 SRP 0.674419 0.906667
60 8LH 0.674419 0.906667
61 OZV 0.670455 0.971831
62 8QN 0.670455 0.931507
63 25A 0.670455 0.971831
64 3OD 0.67033 0.945205
65 GTA 0.666667 0.886076
66 UP5 0.663265 0.92
67 4AD 0.662921 0.92
68 8LQ 0.659091 0.906667
69 QA7 0.659091 0.894737
70 00A 0.655556 0.883117
71 ADP PO3 0.654762 0.943662
72 ATP MG 0.654762 0.943662
73 RBY 0.654762 0.932432
74 ADV 0.654762 0.932432
75 BIS 0.652174 0.933333
76 5SV 0.651685 0.848101
77 OOB 0.651685 0.931507
78 KMQ 0.648936 0.932432
79 BEF ADP 0.647059 0.917808
80 PAJ 0.644444 0.884615
81 AMO 0.644444 0.932432
82 VO4 ADP 0.643678 0.945205
83 A4P 0.643564 0.843373
84 2A5 0.642857 0.918919
85 MAP 0.640449 0.945946
86 3AT 0.639535 0.971831
87 DLL 0.637363 0.931507
88 AHX 0.637363 0.896104
89 ATR 0.635294 0.971429
90 PAP 0.635294 0.985714
91 PTJ 0.634409 0.896104
92 V2G 0.632184 0.896104
93 T5A 0.631068 0.841463
94 3UK 0.630435 0.918919
95 7D3 0.62963 0.905405
96 SON 0.626506 0.932432
97 ALF ADP 0.625 0.87013
98 ANP MG 0.625 0.931507
99 LAD 0.623656 0.860759
100 WAQ 0.623656 0.883117
101 PR8 0.623656 0.85
102 B5V 0.623656 0.906667
103 AFH 0.622449 0.884615
104 GAP 0.62069 0.893333
105 DTP 0.62069 0.905405
106 LMS 0.620253 0.82716
107 NB8 0.617021 0.896104
108 ME8 0.617021 0.839506
109 TXA 0.617021 0.932432
110 1ZZ 0.617021 0.839506
111 FYA 0.617021 0.905405
112 DQV 0.616162 0.958333
113 ADN 0.611111 0.84507
114 XYA 0.611111 0.84507
115 RAB 0.611111 0.84507
116 DAL AMP 0.604396 0.905405
117 9SN 0.604167 0.871795
118 48N 0.60396 0.896104
119 AP0 0.601942 0.896104
120 DND 0.598039 0.932432
121 6V0 0.598039 0.896104
122 TXD 0.598039 0.907895
123 NAX 0.598039 0.873418
124 NAI 0.598039 0.907895
125 B5Y 0.597938 0.894737
126 B5M 0.597938 0.894737
127 FA5 0.597938 0.906667
128 9ZD 0.597826 0.907895
129 9ZA 0.597826 0.907895
130 ADP BMA 0.595745 0.918919
131 A2R 0.593407 0.985915
132 OMR 0.592233 0.851852
133 TXE 0.592233 0.907895
134 XAH 0.591837 0.839506
135 L3W 0.586538 0.932432
136 7DT 0.586207 0.985714
137 4UV 0.585859 0.894737
138 AOC 0.585366 0.821918
139 139 0.584906 0.873418
140 DDS 0.58427 0.878378
141 CNA 0.579439 0.932432
142 6AD 0.577778 0.909091
143 5AS 0.576471 0.77907
144 GA7 0.574257 0.906667
145 4UU 0.574257 0.894737
146 5N5 0.573333 0.819444
147 4TC 0.571429 0.896104
148 ADJ 0.570093 0.851852
149 A4D 0.565789 0.819444
150 5CD 0.565789 0.805556
151 RGT 0.565657 0.958904
152 A3P 0.564706 0.971429
153 LAQ 0.563107 0.839506
154 7D5 0.5625 0.878378
155 F2R 0.559633 0.864198
156 NO7 0.55914 0.932432
157 80F 0.558559 0.841463
158 YLP 0.557692 0.819277
159 CUU 0.556818 0.971831
160 UPA 0.556604 0.907895
161 COD 0.554545 0.811765
162 AV2 0.554348 0.917808
163 4UW 0.552381 0.860759
164 JB6 0.55102 0.883117
165 ATP A 0.55 0.930556
166 ATP A A A 0.55 0.930556
167 3AM 0.548781 0.929577
168 TYM 0.54717 0.906667
169 A2P 0.546512 0.957143
170 NA7 0.546392 0.958904
171 MYR AMP 0.545455 0.817073
172 EP4 0.544304 0.753247
173 PPS 0.543478 0.873418
174 YLC 0.542056 0.839506
175 YLB 0.542056 0.819277
176 NAD 0.540541 0.931507
177 H1Q 0.539326 0.90411
178 DAT 0.539326 0.905405
179 G5A 0.538462 0.77907
180 128 0.537736 0.776471
181 M2T 0.5375 0.734177
182 DTA 0.5375 0.786667
183 TSB 0.536842 0.819277
184 3DH 0.536585 0.773333
185 AHZ 0.533333 0.817073
186 IOT 0.53211 0.831325
187 GTP 0.531915 0.92
188 SSA 0.531915 0.8
189 A3D 0.530973 0.918919
190 MTA 0.530864 0.773333
191 AR6 AR6 0.528846 0.917808
192 7MD 0.528846 0.8625
193 ARG AMP 0.528846 0.829268
194 YLA 0.527273 0.819277
195 VMS 0.526316 0.788235
196 54H 0.526316 0.788235
197 AMP DBH 0.524272 0.893333
198 TAD 0.52381 0.884615
199 IMO 0.523256 0.929577
200 AYB 0.522523 0.809524
201 A5A 0.521277 0.807229
202 HDV 0.521277 0.893333
203 EAD 0.521008 0.873418
204 2AM 0.518072 0.943662
205 6RE 0.517647 0.759494
206 6MZ 0.517241 0.930556
207 7DD 0.516854 0.985714
208 CZF 0.516129 0.931507
209 V3L 0.516129 0.971831
210 AVV 0.515464 0.896104
211 BTX 0.513274 0.841463
212 NAE 0.512821 0.894737
213 QBQ 0.510638 0.906667
214 52H 0.510417 0.77907
215 NSS 0.510204 0.8
216 BT5 0.508772 0.831325
217 NAQ 0.508475 0.871795
218 ZAS 0.505882 0.766234
219 A3N 0.505747 0.786667
220 J7C 0.505747 0.769231
221 5X8 0.505495 0.763158
222 5CA 0.505155 0.8
223 53H 0.505155 0.77907
224 8X1 0.505155 0.752809
225 NVA LMS 0.50505 0.752809
226 ARU 0.50505 0.860759
227 9K8 0.504951 0.714286
228 AF3 ADP 3PG 0.504587 0.8375
229 ALF ADP 3PG 0.504587 0.8375
230 38V 0.504202 0.886076
231 ZID 0.504202 0.918919
232 P1H 0.504065 0.851852
233 D4F 0.5 0.839506
234 LPA AMP 0.5 0.817073
235 S4M 0.5 0.666667
236 NAD IBO 0.5 0.917808
237 NAD TDB 0.5 0.917808
238 LEU LMS 0.5 0.730337
239 OVE 0.5 0.905405
240 7MC 0.5 0.841463
241 6G0 0.5 0.884615
242 FB0 0.496 0.804598
243 DZD 0.495652 0.884615
244 P5A 0.49505 0.744444
245 DSZ 0.494949 0.8
246 LSS 0.494949 0.761364
247 MAO 0.494382 0.759036
248 DSH 0.494253 0.725
249 NDE 0.491935 0.932432
250 N0B 0.491667 0.819277
251 YLY 0.491525 0.809524
252 M24 0.491525 0.85
253 NJP 0.491228 0.945946
254 MGP 0.489583 0.884615
255 6C6 0.489362 0.881579
256 O02 0.489362 0.921053
257 GP3 0.489362 0.921053
258 NWW 0.4875 0.760563
259 NAJ PZO 0.487179 0.848101
260 0WD 0.486957 0.921053
261 6FA 0.484375 0.841463
262 GJV 0.483146 0.75
263 5AD 0.480519 0.746479
264 GSU 0.480392 0.77907
265 KAA 0.480392 0.752809
266 ODP 0.478261 0.909091
267 71V 0.477778 0.907895
268 NEC 0.477273 0.746667
269 A3G 0.477273 0.8
270 FAS 0.476923 0.851852
271 FAD 0.476923 0.851852
272 FDA 0.476562 0.833333
273 K3K 0.47619 0.802632
274 N6P 0.475248 0.915493
275 7D7 0.474359 0.743243
276 2SA 0.474227 0.932432
277 4TA 0.474138 0.807229
278 AMP NAD 0.474138 0.905405
279 NPW 0.473684 0.886076
280 NDP 0.473684 0.921053
281 SFG 0.473118 0.75
282 NDC 0.472441 0.871795
283 YSA 0.471698 0.77907
284 LQJ 0.471698 0.917808
285 NAJ PYZ 0.471074 0.807229
286 NZQ 0.469565 0.909091
287 TXP 0.469565 0.921053
288 MGO 0.469388 0.860759
289 GDP 0.46875 0.92
290 6IA 0.46875 0.8375
291 A7D 0.467391 0.776316
292 J4G 0.466019 0.92
293 SFD 0.465649 0.734043
294 12D 0.463636 0.785714
295 A5D 0.463158 0.786667
296 SA8 0.463158 0.707317
297 ZDA 0.463158 0.864865
298 62F 0.462687 0.8625
299 MHZ 0.462366 0.697674
300 PGS 0.462366 0.883117
301 8PZ 0.462264 0.8
302 D5M 0.460674 0.878378
303 DA 0.460674 0.878378
304 GGZ 0.46 0.825
305 FAY 0.459259 0.8625
306 SAH 0.458333 0.74359
307 SAI 0.458333 0.734177
308 B1U 0.457944 0.736264
309 A3T 0.457447 0.821918
310 Y3J 0.45679 0.726027
311 PO4 PO4 A A A A PO4 0.456311 0.902778
312 RFL 0.455882 0.821429
313 AAM 0.455556 0.971429
314 HF7 0.454545 0.893333
315 SMM 0.454545 0.686047
316 K3E 0.453704 0.792208
317 SAM 0.453608 0.690476
318 AMZ 0.453488 0.916667
319 C2R 0.453488 0.90411
320 FNK 0.451852 0.804598
321 A3S 0.451613 0.810811
322 7C5 0.449541 0.818182
323 XNP 0.449153 0.873418
324 EEM 0.44898 0.690476
325 AAT 0.44898 0.707317
326 PRT 0.448598 0.931507
327 NWQ 0.448276 0.739726
328 K2R 0.447619 0.88
329 62X 0.446602 0.666667
330 KOY 0.446429 0.802632
331 DCA 0.446281 0.823529
332 ETB 0.446281 0.833333
333 AIR 0.445783 0.901408
334 GSP 0.445545 0.873418
335 N5O 0.444444 0.763158
336 NIA 0.443182 0.822785
337 PUA 0.442623 0.884615
338 K15 0.442308 0.682353
339 4YB 0.441441 0.761364
340 GEK 0.441176 0.7375
341 QXP 0.441176 0.785714
342 6K6 0.441176 0.930556
343 DG1 0.44 0.921053
344 V47 0.44 0.783784
345 1DG 0.44 0.921053
346 S7M 0.44 0.690476
347 Z5A 0.44 0.77907
348 COA 0.439024 0.823529
349 0T1 0.439024 0.823529
350 WSA 0.438596 0.788235
351 8BR 0.434783 0.906667
352 8Q2 0.434783 0.772727
353 N5A 0.434783 0.736842
354 DZ4 0.434343 0.881579
355 101 0.433333 0.878378
356 NVA 2AD 0.43299 0.759494
357 IDP 0.43299 0.918919
358 9JJ 0.432624 0.8625
359 NAP 0.432 0.945205
360 KY2 0.431373 0.731707
361 K2W 0.431193 0.740741
362 APU 0.431034 0.894737
363 A6D 0.428571 0.722892
364 CAO 0.428571 0.795455
365 TAP 0.428571 0.907895
366 J7V 0.428571 0.833333
367 QXG 0.428571 0.776471
368 7RP 0.428571 0.928571
369 AMX 0.428571 0.833333
370 30N 0.428571 0.752688
371 COS 0.428571 0.804598
372 V1N 0.427273 0.917808
373 2VA 0.427083 0.8
374 P5F 0.426573 0.823529
375 649 0.426087 0.744444
376 K38 0.425926 0.779221
377 KL2 0.425287 0.837838
378 NA0 0.425197 0.932432
379 SCO 0.425197 0.823529
380 CMX 0.425197 0.823529
381 R2V 0.424528 0.785714
382 7RA 0.423913 0.957747
383 0UM 0.423077 0.698795
384 KYB 0.423077 0.731707
385 GAV 0.423077 0.884615
386 QQY 0.422222 0.815789
387 1RB 0.422222 0.885714
388 ACK 0.422222 0.861111
389 ACO 0.421875 0.795455
390 FCX 0.421875 0.795455
391 FAM 0.421875 0.804598
392 GCP 0.421569 0.896104
393 G1R 0.421569 0.907895
394 OZP 0.421053 0.728395
395 F2N 0.42069 0.813953
396 O05 0.420561 0.843373
397 GNH 0.42 0.907895
398 K2H 0.419048 0.75641
399 HAX 0.418605 0.804598
400 K3H 0.418182 0.75
401 GKE 0.418182 0.884615
402 GDD 0.418182 0.884615
403 GDC 0.418182 0.884615
404 KYE 0.418182 0.714286
405 FA9 0.417808 0.864198
406 9GM 0.417476 0.896104
407 GNP 0.417476 0.896104
408 TM1 0.416667 0.77381
409 KB1 0.416667 0.698795
410 9BG 0.416667 0.896104
411 3AD 0.416667 0.805556
412 KY5 0.416667 0.725
413 2MC 0.416667 0.769231
414 KXW 0.415929 0.707317
415 H6Y 0.415842 0.945205
416 3KK 0.415385 0.804598
417 FYN 0.415385 0.823529
418 GTG 0.414414 0.886076
419 SO8 0.414141 0.789474
420 7L1 0.414062 0.795455
421 S8M 0.413462 0.759494
422 NHD 0.413223 0.905405
423 HZ2 0.412281 0.731707
424 SOP 0.412214 0.804598
425 YZS 0.412214 0.729167
426 CA6 0.412214 0.729167
427 COK 0.412214 0.804598
428 KGP 0.412214 0.729167
429 OXK 0.412214 0.804598
430 MCD 0.412214 0.804598
431 FAJ 0.412162 0.831325
432 26A 0.411765 0.763158
433 KY8 0.411215 0.728395
434 K2K 0.411215 0.7375
435 QQX 0.411111 0.805195
436 YE1 0.410448 0.813953
437 Q34 0.410256 0.674419
438 NX8 0.41 0.716049
439 CMC 0.409091 0.804598
440 CO6 0.409091 0.804598
441 NMX 0.409091 0.76087
442 1VU 0.409091 0.795455
443 FAI 0.408602 0.916667
444 RMB 0.408602 0.873239
445 AS 0.408602 0.833333
446 SCA 0.407407 0.804598
447 SXZ 0.407407 0.710843
448 ANZ 0.40708 0.8
449 SCD 0.406015 0.823529
450 CAJ 0.406015 0.804598
451 NAD BBN 0.405797 0.841463
452 HY8 0.405172 0.731707
453 KGA 0.404412 0.744681
454 EO7 0.404255 0.788235
455 D3Y 0.403846 0.789474
456 KH3 0.403509 0.674419
457 PLP AAD 0.403226 0.733333
458 SLU 0.403226 0.770115
459 3HC 0.402985 0.813953
460 1HE 0.402985 0.786517
461 A1S 0.402985 0.804598
462 MLC 0.402985 0.804598
463 IVC 0.402985 0.813953
464 KGJ 0.402985 0.752688
465 BCO 0.402985 0.804598
466 CC5 0.402439 0.816901
467 5GP 0.402062 0.906667
468 G 0.402062 0.906667
469 NMN AMP PO4 0.401639 0.87013
470 Q2P 0.401639 0.674419
471 LCV 0.4 0.721649
472 CAA 0.4 0.813953
473 VRT 0.4 0.769231
474 2BA 0.4 0.915493
475 COO 0.4 0.804598
476 3L1 0.4 0.773333
477 NAD CJ3 0.4 0.811765
478 3D1 0.4 0.773333
479 MCA 0.4 0.795455
480 SO5 0.4 0.721649
481 CMP 0.4 0.901408
Similar Ligands (3D)
Ligand no: 1; Ligand: AQP; 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 : 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: 1) in the query (biounit: 5dk4.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5dk4.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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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