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Receptor
PDB id Resolution Class Description Source Keywords
3WO0 2 Å EC: 6.3.2.28 CRYSTAL STRUCTURE OF BACILLUS SUBTILIS YWFE, AN L-AMINO ACID WITH BOUND ADP-MG-ALA BACILLUS SUBTILIS ATP-GRASP FOLD LIGASE ATP BINDING
Ref.: SINGLE MUTATION ALTERS THE SUBSTRATE SPECIFICITY OF ACID LIGASE BIOCHEMISTRY V. 53 2650 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:501;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ALA A:504;
Valid;
none;
submit data
89.093 C3 H7 N O2 C[C@@...
MG A:502;
A:503;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WO0 2 Å EC: 6.3.2.28 CRYSTAL STRUCTURE OF BACILLUS SUBTILIS YWFE, AN L-AMINO ACID WITH BOUND ADP-MG-ALA BACILLUS SUBTILIS ATP-GRASP FOLD LIGASE ATP BINDING
Ref.: SINGLE MUTATION ALTERS THE SUBSTRATE SPECIFICITY OF ACID LIGASE BIOCHEMISTRY V. 53 2650 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WNZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3VMM - P0D C12 H19 N O7 P2 C[C@H](N)[....
3 3WO0 - ALA C3 H7 N O2 C[C@@H](C(....
4 3WO1 - ALA C3 H7 N O2 C[C@@H](C(....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WNZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3VMM - P0D C12 H19 N O7 P2 C[C@H](N)[....
3 3WO0 - ALA C3 H7 N O2 C[C@@H](C(....
4 3WO1 - ALA C3 H7 N O2 C[C@@H](C(....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WNZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3VMM - P0D C12 H19 N O7 P2 C[C@H](N)[....
3 3WO0 - ALA C3 H7 N O2 C[C@@H](C(....
4 3WO1 - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Ligand no: 2; Ligand: ALA; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA 1 1
2 DAL 1 1
3 VAL 0.611111 0.882353
4 ALO 0.578947 0.789474
5 THR 0.578947 0.789474
6 HGY 0.5625 0.666667
7 ABA 0.526316 0.75
8 DBB 0.526316 0.75
9 AKB 0.526316 0.75
10 LEU 0.5 0.681818
11 ILE 0.5 0.714286
12 NVA 0.434783 0.652174
13 VAH 0.434783 0.6
14 C2N 0.428571 0.636364
15 FLA 0.428571 0.636364
16 DCY 0.428571 0.608696
17 CYS 0.428571 0.608696
18 HL5 0.407407 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WO0; Ligand: ALA; Similar sites found with APoc: 340
This union binding pocket(no: 1) in the query (biounit: 3wo0.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4WOV 3SM 0.946372
2 4UAL 3FV 1.19332
3 2IO8 ADP 1.2766
4 3V8S 0HD 1.46341
5 3UDZ ADP 1.48936
6 5OSW DIU 1.48936
7 6FL8 TIY 1.48936
8 6FL8 ADP 1.48936
9 3UIM ANP 1.53374
10 5HVJ ANP 1.5873
11 4Y0X ADP 1.6
12 4X7Q 3YR 1.60256
13 2RIO ADP 1.6129
14 6GIN IR2 1.66113
15 5MW8 ATP 1.70213
16 5DXT 5H5 1.70213
17 4L9I 8PR 1.70213
18 5VC5 96M 1.7301
19 5WNL STU 1.75439
20 2QK4 ATP 1.76991
21 1OKE BOG 1.77665
22 3KN5 ANP 1.84615
23 3Q60 ATP 1.88679
24 1GSA ADP 1.89873
25 5U6C 7YS 1.90476
26 5OES ADP 1.91489
27 2H8H H8H 1.91489
28 2CFM AMP 1.91489
29 3RI1 3RH 1.91693
30 2F2U M77 1.99005
31 5YK1 ANP 1.99115
32 1XJD STU 2.02899
33 2PVF ACP 2.09581
34 4OH4 ANP 2.1021
35 5LPZ ADP 2.10843
36 4G17 0VN 2.12121
37 1CKM GTP 2.12121
38 1CKN GTP 2.12121
39 6GZD LCI 2.13904
40 3TTI KBI 2.15517
41 2HY0 306 2.17391
42 4EUU BX7 2.19436
43 4H3P ANP 2.20994
44 4H3Q ANP 2.20994
45 4IJP 1EH 2.23464
46 5Y80 IRE 2.23642
47 4CU1 71S 2.25734
48 4NST ADP 2.2792
49 5EFQ ADP 2.30548
50 2PZI AXX 2.34043
51 4OAV ACP 2.34043
52 3IGO ANP 2.34043
53 5LPB ADP 2.36486
54 5W4W 9WG 2.41692
55 4IZY 1J2 2.43902
56 4UX9 ANP 2.47253
57 4CQE CQE 2.51799
58 4IDT T28 2.52809
59 3ETH ATP 2.53521
60 4FG8 ATP 2.53968
61 5VLQ ANP 2.54669
62 5OKT 9XK 2.54777
63 3CY2 MB9 2.54777
64 4O1P ANP 2.55319
65 5ZTN CUR 2.55319
66 4FL3 ANP 2.55319
67 5X8I SQZ 2.60116
68 5MJA 7O3 2.62295
69 6BFN DL1 2.63158
70 6G33 5ID 2.65487
71 6FYV 3NG 2.67062
72 1CM8 ANP 2.7248
73 4NZN ANP 2.72727
74 4NZN 2OU 2.72727
75 3GC0 AMP 2.73556
76 3DAK ANP 2.75862
77 3HZT J60 2.78373
78 3X01 AMP 2.79898
79 5KO1 6UY 2.82686
80 3ITA AIC 2.84091
81 1PK8 ATP 2.8436
82 5VCV 1N1 2.89389
83 3AQV TAK 2.89855
84 4PZ6 GMP 2.97767
85 5DZT AMP 2.97872
86 4PNI KQQ 2.97872
87 5WO4 B7V 2.98013
88 3GGF GVD 2.99003
89 3FSY SCA 3.01205
90 2IF8 ADP 3.0303
91 3ALN ANP 3.0581
92 4ZGP ADP 3.07167
93 4K33 ACP 3.07692
94 2Y6O 1N1 3.09278
95 5CKW ANP 3.10421
96 1U59 STU 3.13589
97 2F57 23D 3.15457
98 4CS9 AMP 3.1746
99 4I94 ANP 3.19149
100 4C01 QY9 3.19149
101 2R5T ANP 3.21716
102 2FB3 MET 3.23529
103 3GC8 B45 3.24324
104 5TDF ADP 3.24826
105 3FHR P4O 3.27381
106 3DLS ADP 3.28358
107 3KRL KRL 3.28358
108 5DMZ ADP 3.28767
109 5CEO 50D 3.33333
110 2CSN CKI 3.367
111 5H2U 1N1 3.37079
112 4AU8 Z3R 3.37838
113 3TII ANP 3.42105
114 4CYI ATP 3.42466
115 4IX4 ADP 3.42857
116 4XH0 ADP 3.47395
117 4XYM A12 3.47826
118 4XZ3 ACP 3.47826
119 1Q8Y ADE 3.48525
120 1Q8Y ADP 3.48525
121 3RE4 TO1 3.48837
122 2QLU ADE 3.50318
123 4OTH DRN 3.51906
124 4M69 ANP 3.53357
125 4DC2 ADE 3.53535
126 6FWH 5LD 3.5533
127 4OUJ LBT 3.58306
128 2BMB PMM 3.61702
129 4CFU 2WC 3.63036
130 6GUE FB8 3.64238
131 4BCM T7Z 3.65448
132 4BCQ TJF 3.65448
133 4BCN T9N 3.66667
134 5LI1 ANP 3.67232
135 2WU6 DKI 3.67454
136 2Z49 AMG 3.7037
137 2Z48 A2G 3.7037
138 5LMK 6ZK 3.7037
139 5LI9 ACP 3.71429
140 5T8O 76Z 3.72493
141 6CMJ F6J 3.73832
142 3GNI ATP 3.81232
143 4AZW ATP 3.82979
144 5F90 GLA GAL 3.84615
145 6FYL 3NG 3.85675
146 1AUX AGS 3.85852
147 1I7L ATP 3.8835
148 4I6H 1C8 3.8961
149 4ZS4 ATP 3.90879
150 4WB7 ATP 3.95062
151 2DUR MAN MAN 3.95257
152 2WEL K88 3.97554
153 4WB6 ATP 4
154 2QCS ANP 4
155 2ZV2 609 4.02685
156 2PUL ACP 4.03023
157 5IM3 DTP 4.04255
158 2VZ6 FEF 4.15335
159 4WNP 3RJ 4.18118
160 5HES 032 4.23453
161 3TDV GDP 4.24837
162 1OBD ATP 4.24837
163 2B9J ADP 4.24929
164 2B9F ADP 4.24929
165 2B9I ADP 4.24929
166 2B9H ADP 4.24929
167 5Y86 HRM 4.25532
168 1ZTH ADP 4.26357
169 1ZP9 ATP 4.26357
170 3SLS ANP 4.27632
171 4JOB TLA 4.29293
172 2VN9 GVD 4.31894
173 6AC9 ANP 4.32432
174 3SRV S19 4.33213
175 3M2W L8I 4.34783
176 3PDT ADP 4.36364
177 3LXN MI1 4.40252
178 2YAB AMP 4.43213
179 4Y93 746 4.4843
180 4BFM ANP 4.49102
181 5LVP ATP 4.50161
182 1KJ8 GAR 4.60358
183 1KJ8 ATP 4.60358
184 4YMJ 4EJ 4.60526
185 3AKK ADP 4.61538
186 1IA9 ANP 4.64286
187 1M0W ANP 4.68085
188 3HAV ATP 4.68227
189 1TZD ADP 4.72727
190 6E8I PTR 4.73373
191 2V7O DRN 4.7619
192 4E1Z 0MX 4.811
193 3TXO 07U 4.81586
194 1U5R ATP 4.88506
195 4UWH JXM 4.89362
196 3KAL ADP 4.89362
197 1W2D ADP 4.90566
198 4F9C 0SX 4.98615
199 1K3A ACP 5.01672
200 1EHI ADP 5.03979
201 2PVN P63 5.11364
202 4Y85 499 5.12048
203 6C7Y ADP 5.12821
204 2Q7D ANP 5.20231
205 4AUA 4AU 5.21173
206 4O4F ATP 5.24194
207 4O4F IHP 5.24194
208 4UXL 5P8 5.2795
209 1ZY5 ANP 5.28053
210 3VPC ADP 5.31915
211 2BKK ADP 5.32544
212 5I35 ANP 5.34351
213 4BHN BH9 5.38922
214 4B1L FRU 5.45455
215 2R7K AMZ 5.54017
216 2R7K ACP 5.54017
217 1IR3 ANP 5.55556
218 4OUC 5ID 5.60224
219 6G34 5ID 5.60224
220 4CC6 L5Y 5.66038
221 3PN1 IVH 5.66038
222 4U44 3D9 5.72289
223 6GR0 F8W 5.74713
224 3GQI ACP 5.82822
225 4RDL FUC GAL NDG FUC 5.84416
226 3I0O ADP 5.8997
227 4LRJ ANP 5.91716
228 4BTK DTQ 5.93472
229 2PYW ADP 5.95238
230 5A6N U7E 6.00707
231 3W0O ADP 6.01719
232 3W0O HY0 6.01719
233 5OLK DTP 6.04651
234 6F3G CJN 6.1017
235 3ORK AGS 6.10932
236 3HMO STU 6.14035
237 4FFG LBS 6.17021
238 5ZCT ANP 6.20915
239 4GLW 0XT 6.22951
240 4FE2 ADP 6.27451
241 2YAK OSV 6.31579
242 5QIN J2V 6.32911
243 6EZ6 C5Z 6.38298
244 5C03 AGS 6.43275
245 1Z2P ACP 6.48148
246 1Z2P I3S 6.48148
247 3FHI ANP 6.49351
248 5AWM ANP 6.59898
249 3SXS PP2 6.71642
250 2GQR ADP 6.75105
251 4NFN 2KC 6.79612
252 1BYG STU 6.83453
253 5L8L ADP 6.83761
254 2Z7R STU 6.85358
255 5XG5 A2G 6.89655
256 4USF 6UI 6.90789
257 5DBX ANP 7.0122
258 2A19 ANP 7.04225
259 1JPA ANP 7.05128
260 6CQF F97 7.07071
261 4R78 AMP 7.11974
262 4OCV ANP 7.12401
263 4NM5 ADP 7.1618
264 2GQS ADP 7.173
265 5VZ0 ADP 7.23404
266 4U98 ACP 7.26872
267 3H9R TAK 7.33945
268 1PHK ATP 7.38255
269 5BOE PEP 7.46606
270 4LO2 GAL BGC 7.48299
271 1O9U ADZ 7.71429
272 3F7Z 34O 7.71429
273 5UPK ANP 7.80347
274 6BXI ANP 7.80781
275 4GYI ADP 7.80856
276 4YZN 4K5 8.01394
277 6A1G 9OL 8.05556
278 3IDB ANP 8.07453
279 5JZJ AN2 8.08081
280 2HGS ADP 8.08511
281 4GNC ASO 8.3612
282 2RIF AMP 8.51064
283 3ENV ABF 8.51064
284 2XOC ADP 8.81226
285 3WVR AMP 8.94855
286 5OMY 9YE 9.20716
287 4Y8D 49J 9.28571
288 3KMW ATP 9.30233
289 2WQN ADP 9.67742
290 3VPD ANP 9.96441
291 3C0G 3AM 9.97151
292 2VQD AP2 10.1293
293 5M06 ADP 10.5072
294 5YF9 NIO 10.6195
295 1TQP ATP 10.6383
296 2QF7 AGS 10.6383
297 3K5I ADP 10.67
298 3K5I AIR 10.67
299 4DFU QUE 10.8696
300 2V58 LZJ 10.9131
301 5AX9 4KT 11.039
302 4WW7 AMP 11.1111
303 1V0O INR 11.1111
304 5LXT ACP 11.1888
305 4C2W ANP 11.5385
306 2GBB CIT 11.5385
307 6GU6 1QK 11.9048
308 5HQ0 LZ9 11.9048
309 3PVW QRX 12.1622
310 3VPB ADP 14.2857
311 3O0G 3O0 14.7651
312 5ODT ADP 15.2174
313 3PLS ANP 15.4362
314 5G1X ADP 15.873
315 3V4S ADP 16.0207
316 3V4S ATP 16.0207
317 4JR7 GNP 16.8449
318 1UNH IXM 17.3077
319 3LQV ADE 17.9487
320 1IOW ADP 17.9739
321 1IOW PHY 17.9739
322 3E5A VX6 18.1818
323 3ZRM ZRM 18.75
324 5USZ SKE 19.7232
325 3ORQ ADP 19.8939
326 3BU5 ATP 20
327 1T36 ADP 20.4255
328 5K2M ADP 20.7547
329 4KS7 X4Z 20.8904
330 4Q5H ANP 21.0526
331 5LXM ADP 21.0526
332 3MPB FRU 22.3577
333 2VPQ ANP 24.3902
334 1E4E ADP 24.4898
335 1E4E PHY 24.4898
336 2YRX AMP 25.2772
337 4LH7 1X8 26.935
338 2YW2 ATP 33.4906
339 5C1P ADP 35.6209
340 5C1P DAL DAL 35.6209
Pocket No.: 2; Query (leader) PDB : 3WO0; Ligand: ALA; 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: 3wo0.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3WO0; Ligand: ADP; Similar sites found with APoc: 340
This union binding pocket(no: 3) in the query (biounit: 3wo0.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4WOV 3SM 0.946372
2 4UAL 3FV 1.19332
3 2IO8 ADP 1.2766
4 3V8S 0HD 1.46341
5 3UDZ ADP 1.48936
6 5OSW DIU 1.48936
7 6FL8 TIY 1.48936
8 6FL8 ADP 1.48936
9 3UIM ANP 1.53374
10 5HVJ ANP 1.5873
11 4Y0X ADP 1.6
12 4X7Q 3YR 1.60256
13 2RIO ADP 1.6129
14 6GIN IR2 1.66113
15 5MW8 ATP 1.70213
16 5DXT 5H5 1.70213
17 4L9I 8PR 1.70213
18 5VC5 96M 1.7301
19 5WNL STU 1.75439
20 2QK4 ATP 1.76991
21 1OKE BOG 1.77665
22 3KN5 ANP 1.84615
23 3Q60 ATP 1.88679
24 1GSA ADP 1.89873
25 5U6C 7YS 1.90476
26 5OES ADP 1.91489
27 2H8H H8H 1.91489
28 2CFM AMP 1.91489
29 3RI1 3RH 1.91693
30 2F2U M77 1.99005
31 5YK1 ANP 1.99115
32 1XJD STU 2.02899
33 2PVF ACP 2.09581
34 4OH4 ANP 2.1021
35 5LPZ ADP 2.10843
36 4G17 0VN 2.12121
37 1CKM GTP 2.12121
38 1CKN GTP 2.12121
39 6GZD LCI 2.13904
40 3TTI KBI 2.15517
41 2HY0 306 2.17391
42 4EUU BX7 2.19436
43 4H3P ANP 2.20994
44 4H3Q ANP 2.20994
45 4IJP 1EH 2.23464
46 5Y80 IRE 2.23642
47 4CU1 71S 2.25734
48 4NST ADP 2.2792
49 5EFQ ADP 2.30548
50 2PZI AXX 2.34043
51 4OAV ACP 2.34043
52 3IGO ANP 2.34043
53 5LPB ADP 2.36486
54 5W4W 9WG 2.41692
55 4IZY 1J2 2.43902
56 4UX9 ANP 2.47253
57 4CQE CQE 2.51799
58 4IDT T28 2.52809
59 3ETH ATP 2.53521
60 4FG8 ATP 2.53968
61 5VLQ ANP 2.54669
62 5OKT 9XK 2.54777
63 3CY2 MB9 2.54777
64 4O1P ANP 2.55319
65 5ZTN CUR 2.55319
66 4FL3 ANP 2.55319
67 5X8I SQZ 2.60116
68 5MJA 7O3 2.62295
69 6BFN DL1 2.63158
70 6G33 5ID 2.65487
71 6FYV 3NG 2.67062
72 1CM8 ANP 2.7248
73 4NZN ANP 2.72727
74 4NZN 2OU 2.72727
75 3GC0 AMP 2.73556
76 3DAK ANP 2.75862
77 3HZT J60 2.78373
78 3X01 AMP 2.79898
79 5KO1 6UY 2.82686
80 3ITA AIC 2.84091
81 1PK8 ATP 2.8436
82 5VCV 1N1 2.89389
83 3AQV TAK 2.89855
84 4PZ6 GMP 2.97767
85 5DZT AMP 2.97872
86 4PNI KQQ 2.97872
87 5WO4 B7V 2.98013
88 3GGF GVD 2.99003
89 3FSY SCA 3.01205
90 2IF8 ADP 3.0303
91 3ALN ANP 3.0581
92 4ZGP ADP 3.07167
93 4K33 ACP 3.07692
94 2Y6O 1N1 3.09278
95 5CKW ANP 3.10421
96 1U59 STU 3.13589
97 2F57 23D 3.15457
98 4CS9 AMP 3.1746
99 4I94 ANP 3.19149
100 4C01 QY9 3.19149
101 2R5T ANP 3.21716
102 2FB3 MET 3.23529
103 3GC8 B45 3.24324
104 5TDF ADP 3.24826
105 3FHR P4O 3.27381
106 3DLS ADP 3.28358
107 3KRL KRL 3.28358
108 5DMZ ADP 3.28767
109 5CEO 50D 3.33333
110 2CSN CKI 3.367
111 5H2U 1N1 3.37079
112 4AU8 Z3R 3.37838
113 3TII ANP 3.42105
114 4CYI ATP 3.42466
115 4IX4 ADP 3.42857
116 4XH0 ADP 3.47395
117 4XYM A12 3.47826
118 4XZ3 ACP 3.47826
119 1Q8Y ADE 3.48525
120 1Q8Y ADP 3.48525
121 3RE4 TO1 3.48837
122 2QLU ADE 3.50318
123 4OTH DRN 3.51906
124 4M69 ANP 3.53357
125 4DC2 ADE 3.53535
126 6FWH 5LD 3.5533
127 4OUJ LBT 3.58306
128 2BMB PMM 3.61702
129 4CFU 2WC 3.63036
130 6GUE FB8 3.64238
131 4BCM T7Z 3.65448
132 4BCQ TJF 3.65448
133 4BCN T9N 3.66667
134 5LI1 ANP 3.67232
135 2WU6 DKI 3.67454
136 2Z49 AMG 3.7037
137 2Z48 A2G 3.7037
138 5LMK 6ZK 3.7037
139 5LI9 ACP 3.71429
140 5T8O 76Z 3.72493
141 6CMJ F6J 3.73832
142 3GNI ATP 3.81232
143 4AZW ATP 3.82979
144 5F90 GLA GAL 3.84615
145 6FYL 3NG 3.85675
146 1AUX AGS 3.85852
147 1I7L ATP 3.8835
148 4I6H 1C8 3.8961
149 4ZS4 ATP 3.90879
150 4WB7 ATP 3.95062
151 2DUR MAN MAN 3.95257
152 2WEL K88 3.97554
153 4WB6 ATP 4
154 2QCS ANP 4
155 2ZV2 609 4.02685
156 2PUL ACP 4.03023
157 5IM3 DTP 4.04255
158 2VZ6 FEF 4.15335
159 4WNP 3RJ 4.18118
160 5HES 032 4.23453
161 3TDV GDP 4.24837
162 1OBD ATP 4.24837
163 2B9J ADP 4.24929
164 2B9F ADP 4.24929
165 2B9I ADP 4.24929
166 2B9H ADP 4.24929
167 5Y86 HRM 4.25532
168 1ZTH ADP 4.26357
169 1ZP9 ATP 4.26357
170 3SLS ANP 4.27632
171 4JOB TLA 4.29293
172 2VN9 GVD 4.31894
173 6AC9 ANP 4.32432
174 3SRV S19 4.33213
175 3M2W L8I 4.34783
176 3PDT ADP 4.36364
177 3LXN MI1 4.40252
178 2YAB AMP 4.43213
179 4Y93 746 4.4843
180 4BFM ANP 4.49102
181 5LVP ATP 4.50161
182 1KJ8 GAR 4.60358
183 1KJ8 ATP 4.60358
184 4YMJ 4EJ 4.60526
185 3AKK ADP 4.61538
186 1IA9 ANP 4.64286
187 1M0W ANP 4.68085
188 3HAV ATP 4.68227
189 1TZD ADP 4.72727
190 6E8I PTR 4.73373
191 2V7O DRN 4.7619
192 4E1Z 0MX 4.811
193 3TXO 07U 4.81586
194 1U5R ATP 4.88506
195 4UWH JXM 4.89362
196 3KAL ADP 4.89362
197 1W2D ADP 4.90566
198 4F9C 0SX 4.98615
199 1K3A ACP 5.01672
200 1EHI ADP 5.03979
201 2PVN P63 5.11364
202 4Y85 499 5.12048
203 6C7Y ADP 5.12821
204 2Q7D ANP 5.20231
205 4AUA 4AU 5.21173
206 4O4F ATP 5.24194
207 4O4F IHP 5.24194
208 4UXL 5P8 5.2795
209 1ZY5 ANP 5.28053
210 3VPC ADP 5.31915
211 2BKK ADP 5.32544
212 5I35 ANP 5.34351
213 4BHN BH9 5.38922
214 4B1L FRU 5.45455
215 2R7K AMZ 5.54017
216 2R7K ACP 5.54017
217 1IR3 ANP 5.55556
218 4OUC 5ID 5.60224
219 6G34 5ID 5.60224
220 4CC6 L5Y 5.66038
221 3PN1 IVH 5.66038
222 4U44 3D9 5.72289
223 6GR0 F8W 5.74713
224 3GQI ACP 5.82822
225 4RDL FUC GAL NDG FUC 5.84416
226 3I0O ADP 5.8997
227 4LRJ ANP 5.91716
228 4BTK DTQ 5.93472
229 2PYW ADP 5.95238
230 5A6N U7E 6.00707
231 3W0O ADP 6.01719
232 3W0O HY0 6.01719
233 5OLK DTP 6.04651
234 6F3G CJN 6.1017
235 3ORK AGS 6.10932
236 3HMO STU 6.14035
237 4FFG LBS 6.17021
238 5ZCT ANP 6.20915
239 4GLW 0XT 6.22951
240 4FE2 ADP 6.27451
241 2YAK OSV 6.31579
242 5QIN J2V 6.32911
243 6EZ6 C5Z 6.38298
244 5C03 AGS 6.43275
245 1Z2P ACP 6.48148
246 1Z2P I3S 6.48148
247 3FHI ANP 6.49351
248 5AWM ANP 6.59898
249 3SXS PP2 6.71642
250 2GQR ADP 6.75105
251 4NFN 2KC 6.79612
252 1BYG STU 6.83453
253 5L8L ADP 6.83761
254 2Z7R STU 6.85358
255 5XG5 A2G 6.89655
256 4USF 6UI 6.90789
257 5DBX ANP 7.0122
258 2A19 ANP 7.04225
259 1JPA ANP 7.05128
260 6CQF F97 7.07071
261 4R78 AMP 7.11974
262 4OCV ANP 7.12401
263 4NM5 ADP 7.1618
264 2GQS ADP 7.173
265 5VZ0 ADP 7.23404
266 4U98 ACP 7.26872
267 3H9R TAK 7.33945
268 1PHK ATP 7.38255
269 5BOE PEP 7.46606
270 4LO2 GAL BGC 7.48299
271 1O9U ADZ 7.71429
272 3F7Z 34O 7.71429
273 5UPK ANP 7.80347
274 6BXI ANP 7.80781
275 4GYI ADP 7.80856
276 4YZN 4K5 8.01394
277 6A1G 9OL 8.05556
278 3IDB ANP 8.07453
279 5JZJ AN2 8.08081
280 2HGS ADP 8.08511
281 4GNC ASO 8.3612
282 2RIF AMP 8.51064
283 3ENV ABF 8.51064
284 2XOC ADP 8.81226
285 3WVR AMP 8.94855
286 5OMY 9YE 9.20716
287 4Y8D 49J 9.28571
288 3KMW ATP 9.30233
289 2WQN ADP 9.67742
290 3VPD ANP 9.96441
291 3C0G 3AM 9.97151
292 2VQD AP2 10.1293
293 5M06 ADP 10.5072
294 5YF9 NIO 10.6195
295 1TQP ATP 10.6383
296 2QF7 AGS 10.6383
297 3K5I ADP 10.67
298 3K5I AIR 10.67
299 4DFU QUE 10.8696
300 2V58 LZJ 10.9131
301 5AX9 4KT 11.039
302 4WW7 AMP 11.1111
303 1V0O INR 11.1111
304 5LXT ACP 11.1888
305 4C2W ANP 11.5385
306 2GBB CIT 11.5385
307 6GU6 1QK 11.9048
308 5HQ0 LZ9 11.9048
309 3PVW QRX 12.1622
310 3VPB ADP 14.2857
311 3O0G 3O0 14.7651
312 5ODT ADP 15.2174
313 3PLS ANP 15.4362
314 5G1X ADP 15.873
315 3V4S ADP 16.0207
316 3V4S ATP 16.0207
317 4JR7 GNP 16.8449
318 1UNH IXM 17.3077
319 3LQV ADE 17.9487
320 1IOW ADP 17.9739
321 1IOW PHY 17.9739
322 3E5A VX6 18.1818
323 3ZRM ZRM 18.75
324 5USZ SKE 19.7232
325 3ORQ ADP 19.8939
326 3BU5 ATP 20
327 1T36 ADP 20.4255
328 5K2M ADP 20.7547
329 4KS7 X4Z 20.8904
330 4Q5H ANP 21.0526
331 5LXM ADP 21.0526
332 3MPB FRU 22.3577
333 2VPQ ANP 24.3902
334 1E4E ADP 24.4898
335 1E4E PHY 24.4898
336 2YRX AMP 25.2772
337 4LH7 1X8 26.935
338 2YW2 ATP 33.4906
339 5C1P ADP 35.6209
340 5C1P DAL DAL 35.6209
Pocket No.: 4; Query (leader) PDB : 3WO0; Ligand: ADP; 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: 3wo0.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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