Receptor
PDB id Resolution Class Description Source Keywords
3B2Q 2.1 Å EC: 3.6.3.14 INTERMEDIATE POSITION OF ATP ON ITS TRAIL TO THE BINDING POC THE SUBUNIT B MUTANT R416W OF THE ENERGY CONVERTER A1AO ATP METHANOSARCINA MAZEI HYDROLASE ATP SYNTHESIS HYDROGEN ION TRANSPORT ION TRANSPTRANSPORT
Ref.: SPECTROSCOPIC AND CRYSTALLOGRAPHIC STUDIES OF THE M R416W GIVE INSIGHT INTO THE NUCLEOTIDE BINDING TRAI SUBUNIT B OF THE A1AO ATP SYNTHASE PROTEINS V. 75 807 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AES B:462;
Valid;
none;
submit data
203.234 C8 H10 F N O2 S c1cc(...
ATP A:461;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CIT B:463;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B2Q 2.1 Å EC: 3.6.3.14 INTERMEDIATE POSITION OF ATP ON ITS TRAIL TO THE BINDING POC THE SUBUNIT B MUTANT R416W OF THE ENERGY CONVERTER A1AO ATP METHANOSARCINA MAZEI HYDROLASE ATP SYNTHESIS HYDROGEN ION TRANSPORT ION TRANSPTRANSPORT
Ref.: SPECTROSCOPIC AND CRYSTALLOGRAPHIC STUDIES OF THE M R416W GIVE INSIGHT INTO THE NUCLEOTIDE BINDING TRAI SUBUNIT B OF THE A1AO ATP SYNTHASE PROTEINS V. 75 807 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3B2Q - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3B2Q - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3B2Q - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AES; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AES 1 1
2 ZYX 0.59375 0.734694
Ligand no: 2; Ligand: ATP; Similar ligands found: 489
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 HEJ 1 1
3 AQP 0.985507 1
4 5FA 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 6YZ 0.833333 0.972222
12 AT4 0.810811 0.958904
13 AN2 0.810811 0.985915
14 25L 0.809524 0.985915
15 APR 0.802632 0.971831
16 AR6 0.802632 0.971831
17 M33 0.8 0.958333
18 ACQ 0.794872 0.972222
19 TAT 0.794872 0.958904
20 T99 0.794872 0.958904
21 AD9 0.792208 0.972222
22 ACP 0.789474 0.972222
23 A 0.788732 0.971429
24 AMP 0.788732 0.971429
25 ANP 0.772152 0.972222
26 HQG 0.756098 0.985915
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 KG4 0.74359 0.945205
32 PRX 0.734177 0.893333
33 APC 0.734177 0.958904
34 ABM 0.733333 0.917808
35 45A 0.733333 0.917808
36 ATF 0.731707 0.958904
37 7D4 0.730769 0.905405
38 ITT 0.730769 0.943662
39 AMP MG 0.72973 0.929577
40 ADQ 0.729412 0.945205
41 A3R 0.729412 0.907895
42 AP2 0.714286 0.958904
43 A12 0.714286 0.958904
44 A1R 0.709302 0.907895
45 SRA 0.706667 0.918919
46 JNT 0.701149 0.945205
47 5AL 0.698795 0.931507
48 8LE 0.698795 0.894737
49 ADP MG 0.696203 0.943662
50 ADP BEF 0.696203 0.943662
51 JSQ 0.695122 0.945946
52 HFD 0.695122 0.945946
53 9X8 0.693182 0.92
54 OAD 0.693182 0.945205
55 AU1 0.6875 0.972222
56 APC MG 0.682927 0.917808
57 8LH 0.682353 0.906667
58 SRP 0.682353 0.906667
59 G5P 0.680851 0.921053
60 25A 0.678161 0.971831
61 OZV 0.678161 0.971831
62 3OD 0.677778 0.945205
63 4AD 0.670455 0.92
64 G3A 0.670213 0.921053
65 8LQ 0.666667 0.906667
66 QA7 0.666667 0.894737
67 00A 0.662921 0.883117
68 ADP PO3 0.662651 0.943662
69 RBY 0.662651 0.932432
70 ADV 0.662651 0.932432
71 ATP MG 0.662651 0.943662
72 BIS 0.659341 0.933333
73 5SV 0.659091 0.848101
74 OOB 0.659091 0.931507
75 8QN 0.659091 0.931507
76 GTA 0.65625 0.886076
77 KMQ 0.655914 0.932432
78 BEF ADP 0.654762 0.917808
79 UP5 0.653061 0.92
80 AMO 0.651685 0.932432
81 PAJ 0.651685 0.884615
82 VO4 ADP 0.651163 0.945205
83 2A5 0.650602 0.918919
84 MAP 0.647727 0.945946
85 3AT 0.647059 0.971831
86 AHX 0.644444 0.896104
87 DLL 0.644444 0.931507
88 ATR 0.642857 0.971429
89 PAP 0.642857 0.985714
90 PTJ 0.641304 0.896104
91 V2G 0.639535 0.896104
92 7D3 0.6375 0.905405
93 3UK 0.637363 0.918919
94 SON 0.634146 0.932432
95 A4P 0.633663 0.843373
96 ANP MG 0.632184 0.931507
97 ALF ADP 0.632184 0.87013
98 LAD 0.630435 0.860759
99 PR8 0.630435 0.85
100 B5V 0.630435 0.906667
101 WAQ 0.630435 0.883117
102 AFH 0.628866 0.884615
103 LMS 0.628205 0.82716
104 DTP 0.627907 0.905405
105 GAP 0.627907 0.893333
106 TXA 0.623656 0.932432
107 ME8 0.623656 0.839506
108 NB8 0.623656 0.896104
109 1ZZ 0.623656 0.839506
110 FYA 0.623656 0.905405
111 DQV 0.622449 0.958333
112 T5A 0.621359 0.841463
113 XYA 0.619718 0.84507
114 RAB 0.619718 0.84507
115 ADN 0.619718 0.84507
116 DAL AMP 0.611111 0.905405
117 9SN 0.610526 0.871795
118 48N 0.61 0.896104
119 AP0 0.607843 0.896104
120 9ZD 0.604396 0.907895
121 9ZA 0.604396 0.907895
122 B5M 0.604167 0.894737
123 B5Y 0.604167 0.894737
124 FA5 0.604167 0.906667
125 NAX 0.60396 0.873418
126 DND 0.60396 0.932432
127 NAI 0.60396 0.907895
128 6V0 0.60396 0.896104
129 TXD 0.60396 0.907895
130 ADP BMA 0.602151 0.918919
131 A2R 0.6 0.985915
132 OMR 0.598039 0.851852
133 TXE 0.598039 0.907895
134 XAH 0.597938 0.839506
135 7DT 0.593023 0.985714
136 AOC 0.592593 0.821918
137 L3W 0.592233 0.932432
138 4UV 0.591837 0.894737
139 DDS 0.590909 0.878378
140 139 0.590476 0.873418
141 CNA 0.584906 0.932432
142 6AD 0.58427 0.909091
143 5AS 0.583333 0.77907
144 5N5 0.581081 0.819444
145 GA7 0.58 0.906667
146 4UU 0.58 0.894737
147 4TC 0.576923 0.896104
148 ADJ 0.575472 0.851852
149 5CD 0.573333 0.805556
150 A4D 0.573333 0.819444
151 RGT 0.571429 0.958904
152 A3P 0.571429 0.971429
153 7D5 0.56962 0.878378
154 LAQ 0.568627 0.839506
155 NO7 0.565217 0.932432
156 F2R 0.564815 0.864198
157 80F 0.563636 0.841463
158 CUU 0.563218 0.971831
159 YLP 0.563107 0.819277
160 UPA 0.561905 0.907895
161 AV2 0.56044 0.917808
162 COD 0.559633 0.811765
163 4UW 0.557692 0.860759
164 JB6 0.556701 0.883117
165 3AM 0.555556 0.929577
166 ATP A 0.555556 0.930556
167 ATP A A A 0.555556 0.930556
168 A2P 0.552941 0.957143
169 TYM 0.552381 0.906667
170 NA7 0.552083 0.958904
171 EP4 0.551282 0.753247
172 MYR AMP 0.55102 0.817073
173 PPS 0.549451 0.873418
174 YLB 0.54717 0.819277
175 YLC 0.54717 0.839506
176 DAT 0.545455 0.905405
177 NAD 0.545455 0.931507
178 H1Q 0.545455 0.90411
179 G5A 0.544444 0.77907
180 DTA 0.544304 0.786667
181 M2T 0.544304 0.734177
182 3DH 0.54321 0.773333
183 128 0.542857 0.776471
184 AHZ 0.538462 0.817073
185 SSA 0.537634 0.8
186 GTP 0.537634 0.92
187 MTA 0.5375 0.773333
188 IOT 0.537037 0.831325
189 A3D 0.535714 0.918919
190 AR6 AR6 0.533981 0.917808
191 ARG AMP 0.533981 0.829268
192 7MD 0.533981 0.8625
193 YLA 0.53211 0.819277
194 IMO 0.529412 0.929577
195 AMP DBH 0.529412 0.893333
196 TAD 0.528846 0.884615
197 AYB 0.527273 0.809524
198 HDV 0.526882 0.893333
199 A5A 0.526882 0.807229
200 TSB 0.526316 0.819277
201 EAD 0.525424 0.873418
202 2AM 0.52439 0.943662
203 6RE 0.52381 0.759494
204 6MZ 0.523256 0.930556
205 7DD 0.522727 0.985714
206 CZF 0.521739 0.931507
207 V3L 0.521739 0.971831
208 AVV 0.520833 0.896104
209 BTX 0.517857 0.841463
210 NAE 0.517241 0.894737
211 QBQ 0.516129 0.906667
212 52H 0.515789 0.77907
213 VMS 0.515789 0.788235
214 54H 0.515789 0.788235
215 NSS 0.515464 0.8
216 BT5 0.513274 0.831325
217 NAQ 0.512821 0.871795
218 ZAS 0.511905 0.766234
219 A3N 0.511628 0.786667
220 J7C 0.511628 0.769231
221 5X8 0.511111 0.763158
222 5CA 0.510417 0.8
223 53H 0.510417 0.77907
224 8X1 0.510417 0.752809
225 NVA LMS 0.510204 0.752809
226 ARU 0.510204 0.860759
227 ALF ADP 3PG 0.509259 0.8375
228 AF3 ADP 3PG 0.509259 0.8375
229 38V 0.508475 0.886076
230 ZID 0.508475 0.918919
231 P1H 0.508197 0.851852
232 OVE 0.505882 0.905405
233 S4M 0.505747 0.666667
234 LEU LMS 0.50505 0.730337
235 LPA AMP 0.504673 0.817073
236 NAD TDB 0.504587 0.917808
237 7MC 0.504587 0.841463
238 NAD IBO 0.504587 0.917808
239 D4F 0.504274 0.839506
240 P5A 0.5 0.744444
241 DZD 0.5 0.884615
242 DSZ 0.5 0.8
243 MAO 0.5 0.759036
244 DSH 0.5 0.725
245 LSS 0.5 0.761364
246 FB0 0.5 0.804598
247 NDE 0.495935 0.932432
248 N0B 0.495798 0.819277
249 M24 0.495726 0.85
250 YLY 0.495726 0.809524
251 NJP 0.495575 0.945946
252 9K8 0.49505 0.714286
253 MGP 0.494737 0.884615
254 6C6 0.494624 0.881579
255 O02 0.494624 0.921053
256 NWW 0.493671 0.760563
257 NAJ PZO 0.491379 0.848101
258 0WD 0.491228 0.921053
259 6G0 0.489583 0.884615
260 GJV 0.488636 0.75
261 6FA 0.488189 0.841463
262 5AD 0.486842 0.746479
263 KAA 0.485149 0.752809
264 GSU 0.485149 0.77907
265 71V 0.483146 0.907895
266 NEC 0.482759 0.746667
267 A3G 0.482759 0.8
268 ODP 0.482456 0.909091
269 K3K 0.480769 0.802632
270 FAS 0.48062 0.851852
271 FAD 0.48062 0.851852
272 7D7 0.480519 0.743243
273 FDA 0.480315 0.833333
274 N6P 0.48 0.915493
275 2SA 0.479167 0.932432
276 GP3 0.478723 0.921053
277 AMP NAD 0.478261 0.905405
278 SFG 0.478261 0.75
279 4TA 0.478261 0.807229
280 NDP 0.477876 0.921053
281 NPW 0.477876 0.886076
282 LQJ 0.47619 0.917808
283 NDC 0.47619 0.871795
284 YSA 0.47619 0.77907
285 NAJ PYZ 0.475 0.807229
286 MGO 0.474227 0.860759
287 NZQ 0.473684 0.909091
288 TXP 0.473684 0.921053
289 6IA 0.473684 0.8375
290 GDP 0.473684 0.92
291 A7D 0.472527 0.776316
292 J4G 0.470588 0.92
293 SFD 0.469231 0.734043
294 SA8 0.468085 0.707317
295 A5D 0.468085 0.786667
296 ZDA 0.468085 0.864865
297 12D 0.46789 0.785714
298 PGS 0.467391 0.883117
299 MHZ 0.467391 0.697674
300 8PZ 0.466667 0.8
301 62F 0.466165 0.8625
302 D5M 0.465909 0.878378
303 DA 0.465909 0.878378
304 GGZ 0.464646 0.825
305 SAH 0.463158 0.74359
306 SAI 0.463158 0.734177
307 FAY 0.462687 0.8625
308 Y3J 0.4625 0.726027
309 B1U 0.462264 0.736264
310 PO4 PO4 A A A A PO4 0.460784 0.902778
311 AAM 0.460674 0.971429
312 RFL 0.459259 0.821429
313 SMM 0.459184 0.686047
314 HF7 0.459184 0.893333
315 C2R 0.458824 0.90411
316 AMZ 0.458824 0.916667
317 SAM 0.458333 0.690476
318 K3E 0.457944 0.792208
319 A3S 0.456522 0.810811
320 FNK 0.455224 0.804598
321 7C5 0.453704 0.818182
322 AAT 0.453608 0.707317
323 EEM 0.453608 0.690476
324 NWQ 0.453488 0.739726
325 XNP 0.452991 0.873418
326 PRT 0.45283 0.931507
327 K2R 0.451923 0.88
328 AIR 0.451219 0.901408
329 62X 0.45098 0.666667
330 KOY 0.45045 0.802632
331 GSP 0.45 0.873418
332 ETB 0.45 0.833333
333 DCA 0.45 0.823529
334 N5O 0.449438 0.763158
335 NIA 0.448276 0.822785
336 A3T 0.446809 0.821918
337 K15 0.446602 0.682353
338 PUA 0.446281 0.884615
339 QXP 0.445545 0.785714
340 6K6 0.445545 0.930556
341 GEK 0.445545 0.7375
342 4YB 0.445455 0.761364
343 V47 0.444444 0.783784
344 S7M 0.444444 0.690476
345 DG1 0.443548 0.921053
346 1DG 0.443548 0.921053
347 Z5A 0.443548 0.77907
348 COA 0.442623 0.823529
349 0T1 0.442623 0.823529
350 WSA 0.442478 0.788235
351 8BR 0.43956 0.906667
352 N5A 0.43956 0.736842
353 DZ4 0.438776 0.881579
354 8Q2 0.438596 0.772727
355 101 0.438202 0.878378
356 IDP 0.4375 0.918919
357 NVA 2AD 0.4375 0.759494
358 9JJ 0.435714 0.8625
359 KY2 0.435644 0.731707
360 NAP 0.435484 0.945205
361 K2W 0.435185 0.740741
362 APU 0.434783 0.894737
363 7RP 0.433333 0.928571
364 QXG 0.432692 0.776471
365 A6D 0.432692 0.722892
366 TAP 0.432 0.907895
367 AMX 0.432 0.833333
368 COS 0.432 0.804598
369 CAO 0.432 0.795455
370 J7V 0.432 0.833333
371 30N 0.432 0.752688
372 V1N 0.431193 0.917808
373 KL2 0.430233 0.837838
374 K38 0.429907 0.779221
375 649 0.429825 0.744444
376 P5F 0.429577 0.823529
377 NA0 0.428571 0.932432
378 7RA 0.428571 0.957747
379 SCO 0.428571 0.823529
380 R2V 0.428571 0.785714
381 CMX 0.428571 0.823529
382 0UM 0.427184 0.698795
383 KYB 0.427184 0.731707
384 GAV 0.427184 0.884615
385 1RB 0.426966 0.885714
386 QQY 0.426966 0.815789
387 ACK 0.426966 0.861111
388 GCP 0.425743 0.896104
389 G1R 0.425743 0.907895
390 ACO 0.425197 0.795455
391 FCX 0.425197 0.795455
392 FAM 0.425197 0.804598
393 OZP 0.424779 0.728395
394 O05 0.424528 0.843373
395 GNH 0.424242 0.907895
396 F2N 0.423611 0.813953
397 K2H 0.423077 0.75641
398 GKE 0.422018 0.884615
399 GDC 0.422018 0.884615
400 K3H 0.422018 0.75
401 GDD 0.422018 0.884615
402 KYE 0.422018 0.714286
403 HAX 0.421875 0.804598
404 3AD 0.421687 0.805556
405 9GM 0.421569 0.896104
406 GNP 0.421569 0.896104
407 FA9 0.42069 0.864198
408 TM1 0.420561 0.77381
409 KY5 0.420561 0.725
410 KB1 0.420561 0.698795
411 9BG 0.420168 0.896104
412 H6Y 0.42 0.945205
413 2MC 0.419847 0.769231
414 KXW 0.419643 0.707317
415 FYN 0.418605 0.823529
416 3KK 0.418605 0.804598
417 S8M 0.417476 0.759494
418 7L1 0.417323 0.795455
419 26A 0.416667 0.763158
420 2VA 0.416667 0.8
421 NHD 0.416667 0.905405
422 HZ2 0.415929 0.731707
423 QQX 0.41573 0.805195
424 CA6 0.415385 0.729167
425 OXK 0.415385 0.804598
426 MCD 0.415385 0.804598
427 SOP 0.415385 0.804598
428 COK 0.415385 0.804598
429 YZS 0.415385 0.729167
430 KGP 0.415385 0.729167
431 KY8 0.415094 0.728395
432 K2K 0.415094 0.7375
433 FAJ 0.414966 0.831325
434 NX8 0.414141 0.716049
435 Q34 0.413793 0.674419
436 YE1 0.413534 0.813953
437 RMB 0.413043 0.873239
438 FAI 0.413043 0.916667
439 AS 0.413043 0.833333
440 CO6 0.412214 0.804598
441 1VU 0.412214 0.795455
442 NMX 0.412214 0.76087
443 CMC 0.412214 0.804598
444 SXZ 0.411215 0.710843
445 ANZ 0.410714 0.8
446 SCA 0.410448 0.804598
447 SCD 0.409091 0.823529
448 CAJ 0.409091 0.804598
449 NAD BBN 0.408759 0.841463
450 HY8 0.408696 0.731707
451 EO7 0.408602 0.788235
452 D3Y 0.407767 0.789474
453 CC5 0.407407 0.816901
454 KGA 0.407407 0.744681
455 KH3 0.40708 0.674419
456 PLP AAD 0.406504 0.733333
457 SLU 0.406504 0.770115
458 G 0.40625 0.906667
459 5GP 0.40625 0.906667
460 MLC 0.406015 0.804598
461 KGJ 0.406015 0.752688
462 1HE 0.406015 0.786517
463 3HC 0.406015 0.813953
464 A1S 0.406015 0.804598
465 IVC 0.406015 0.813953
466 BCO 0.406015 0.804598
467 GTG 0.405405 0.886076
468 NMN AMP PO4 0.404959 0.87013
469 Q2P 0.404959 0.674419
470 3D1 0.404762 0.773333
471 3L1 0.404762 0.773333
472 2BA 0.404255 0.915493
473 CMP 0.404255 0.901408
474 VRT 0.40404 0.769231
475 SO8 0.40404 0.789474
476 MCA 0.402985 0.795455
477 COO 0.402985 0.804598
478 CAA 0.402985 0.813953
479 SO5 0.402985 0.721649
480 LCV 0.402985 0.721649
481 NAD CJ3 0.402878 0.811765
482 3NZ 0.401869 0.782051
483 G2R 0.401869 0.884615
484 YXS 0.4 0.729167
485 2CP 0.4 0.795455
486 2FA 0.4 0.813333
487 YXR 0.4 0.729167
488 ZZB 0.4 0.77381
489 MC4 0.4 0.76087
Similar Ligands (3D)
Ligand no: 1; Ligand: AES; Similar ligands found: 531
No: Ligand Similarity coefficient
1 4JE 0.9992
2 3W8 0.9903
3 Z13 0.9827
4 4JC 0.9677
5 4NM 0.9647
6 A7N 0.9641
7 A98 0.9634
8 3W3 0.9623
9 3W6 0.9622
10 KBZ 0.9584
11 S0E 0.9558
12 VD9 0.9534
13 I3E 0.9528
14 6KT 0.9525
15 3UF 0.9496
16 ANN 0.9493
17 SNO 0.9484
18 M4S 0.9475
19 5LA 0.9474
20 RNO 0.9465
21 4BZ 0.9457
22 PNZ 0.9456
23 P9E 0.9450
24 RYV 0.9450
25 AZM 0.9448
26 BPN 0.9447
27 E5X 0.9444
28 UNJ 0.9427
29 K4V 0.9424
30 N4E 0.9411
31 EUE 0.9404
32 DVQ 0.9403
33 3ZB 0.9394
34 4BY 0.9390
35 AAN 0.9374
36 0F3 0.9372
37 PZM 0.9356
38 4NZ 0.9355
39 A7H 0.9351
40 4BL 0.9346
41 JBZ 0.9342
42 2QC 0.9339
43 259 0.9324
44 3VS 0.9305
45 ZEC 0.9302
46 FBF 0.9293
47 EZ1 0.9291
48 88L 0.9289
49 QIV 0.9286
50 IBP 0.9282
51 SN4 0.9273
52 3AE 0.9272
53 7MW 0.9270
54 AM4 0.9253
55 4MB 0.9244
56 LQ2 0.9244
57 4CM 0.9243
58 Y3L 0.9242
59 L4K 0.9240
60 M28 0.9239
61 S7J 0.9236
62 8ZE 0.9234
63 AMH 0.9231
64 EE8 0.9230
65 F4K 0.9229
66 TSU 0.9225
67 3VX 0.9215
68 ST3 0.9210
69 B15 0.9210
70 PPN 0.9207
71 YI6 0.9203
72 36M 0.9198
73 4NB 0.9198
74 657 0.9189
75 E7S 0.9184
76 TXW 0.9182
77 86L 0.9179
78 L14 0.9176
79 4I8 0.9172
80 2FX 0.9166
81 K3D 0.9166
82 1FD 0.9166
83 F02 0.9165
84 RBJ 0.9164
85 4J8 0.9158
86 STX 0.9155
87 SSC 0.9154
88 LR5 0.9153
89 4NS 0.9151
90 7FU 0.9150
91 3R4 0.9149
92 QBP 0.9149
93 8WO 0.9148
94 VFG 0.9147
95 N91 0.9145
96 9NB 0.9144
97 AJ1 0.9141
98 KMY 0.9139
99 2BG 0.9136
100 6N4 0.9134
101 OQC 0.9132
102 KDV 0.9129
103 UA5 0.9129
104 X0U 0.9127
105 GO2 0.9124
106 F4E 0.9123
107 1FE 0.9119
108 3VQ 0.9117
109 JMG 0.9114
110 RYY 0.9112
111 EYV 0.9112
112 CPZ 0.9109
113 KLE 0.9106
114 4NP 0.9105
115 7O4 0.9099
116 YRL 0.9092
117 GOE 0.9090
118 36Y 0.9080
119 CWJ 0.9080
120 BL0 0.9077
121 PNP 0.9075
122 2O8 0.9074
123 BPW 0.9073
124 1F1 0.9073
125 C1M 0.9073
126 6FB 0.9073
127 4FA 0.9068
128 RA7 0.9066
129 J6W 0.9065
130 ZZA 0.9064
131 A5P 0.9064
132 42J 0.9063
133 AEG 0.9062
134 SAN 0.9061
135 94W 0.9060
136 J1K 0.9060
137 FBS 0.9053
138 KLS 0.9052
139 XIY 0.9050
140 MR1 0.9043
141 ODK 0.9041
142 AEF 0.9039
143 AMS 0.9036
144 717 0.9033
145 ST2 0.9031
146 8V8 0.9024
147 4HP 0.9024
148 JAH 0.9022
149 HNT 0.9019
150 HRM 0.9017
151 SNU 0.9015
152 PRL 0.9015
153 54Z 0.9015
154 K82 0.9012
155 BCU 0.9011
156 PQZ 0.9007
157 2A9 0.9004
158 1A5 0.9004
159 12T 0.9004
160 363 0.9004
161 AJG 0.9004
162 MSR 0.9003
163 1OS 0.9002
164 NAG 0.9001
165 VC3 0.9000
166 428 0.9000
167 K97 0.8998
168 0NX 0.8996
169 549 0.8990
170 MAJ 0.8990
171 EYJ 0.8989
172 SKF 0.8987
173 6FZ 0.8986
174 3XR 0.8983
175 JA5 0.8983
176 HC4 0.8983
177 HDH 0.8981
178 XCG 0.8980
179 ESX 0.8980
180 5TT 0.8976
181 AAS 0.8971
182 FCR 0.8966
183 LR8 0.8964
184 80G 0.8963
185 Z82 0.8962
186 ZHA 0.8961
187 MD6 0.8958
188 TZF 0.8958
189 1EB 0.8957
190 ITE 0.8956
191 DHY 0.8955
192 OHJ 0.8951
193 L1O 0.8951
194 NFM 0.8950
195 EVF 0.8949
196 SW7 0.8949
197 ATX 0.8948
198 TAG 0.8948
199 5RP 0.8947
200 0UL 0.8946
201 A5E 0.8942
202 PQM 0.8942
203 MS9 0.8940
204 K7H 0.8939
205 YPN 0.8939
206 9R5 0.8938
207 TYL 0.8937
208 0HO 0.8937
209 LO1 0.8933
210 PBZ 0.8933
211 3N1 0.8930
212 492 0.8927
213 TFM 0.8927
214 DER 0.8925
215 R5P 0.8924
216 5SP 0.8924
217 27K 0.8924
218 0HN 0.8923
219 E4P 0.8922
220 15E 0.8917
221 NOK 0.8917
222 4JL 0.8917
223 DEZ 0.8916
224 JAW 0.8916
225 5H6 0.8916
226 NF3 0.8915
227 JB8 0.8913
228 L15 0.8913
229 HBD 0.8912
230 N1E 0.8909
231 AC6 0.8909
232 DJN 0.8906
233 4MA 0.8904
234 P81 0.8904
235 JDN 0.8904
236 PHB 0.8903
237 C2B 0.8902
238 NPO 0.8902
239 OTR 0.8901
240 6NI 0.8900
241 PAB 0.8898
242 N2I 0.8897
243 LDP 0.8893
244 OW7 0.8892
245 ICB 0.8890
246 36E 0.8890
247 5NI 0.8887
248 3A9 0.8887
249 RES 0.8887
250 EZL 0.8885
251 BCH 0.8884
252 R9Y 0.8881
253 LPK 0.8879
254 SWX 0.8876
255 2HU 0.8873
256 FBA 0.8871
257 72D 0.8870
258 BZ2 0.8869
259 GWM 0.8867
260 G14 0.8866
261 EPR 0.8866
262 CLW 0.8865
263 P72 0.8860
264 4AF 0.8859
265 5OO 0.8855
266 LNR 0.8855
267 SLS 0.8850
268 2ZM 0.8850
269 MP5 0.8850
270 4YO 0.8849
271 3C4 0.8848
272 1P8 0.8846
273 EG0 0.8846
274 4SX 0.8846
275 EFF 0.8845
276 4RU 0.8844
277 4BX 0.8841
278 APS 0.8841
279 15N 0.8840
280 6NT 0.8839
281 M1T 0.8838
282 W81 0.8838
283 EYY 0.8837
284 4CN 0.8837
285 TMG 0.8836
286 TID 0.8835
287 AN3 0.8833
288 8NB 0.8833
289 8XL 0.8833
290 4WL 0.8833
291 R52 0.8832
292 PQS 0.8831
293 1Y6 0.8829
294 FUD 0.8825
295 IAC 0.8824
296 LLH 0.8822
297 535 0.8822
298 X0V 0.8820
299 DXP 0.8819
300 0JD 0.8819
301 92G 0.8819
302 ES2 0.8819
303 PBN 0.8817
304 3NY 0.8816
305 7N8 0.8816
306 ODO 0.8816
307 GJP 0.8815
308 3QV 0.8815
309 2HC 0.8814
310 I2E 0.8814
311 0TU 0.8812
312 GVY 0.8811
313 PFL 0.8811
314 6P3 0.8810
315 ALE 0.8809
316 R7T 0.8808
317 NK5 0.8807
318 A2G 0.8806
319 S24 0.8803
320 N7I 0.8803
321 HHH 0.8800
322 1M2 0.8798
323 5TY 0.8797
324 CFA 0.8797
325 A6W 0.8796
326 5GT 0.8795
327 ABI 0.8794
328 PTB 0.8790
329 B1J 0.8789
330 TYE 0.8789
331 PHE 0.8788
332 PPT 0.8788
333 PH3 0.8786
334 ARP 0.8785
335 9BF 0.8782
336 A5Q 0.8782
337 2WU 0.8780
338 FF2 0.8779
339 174 0.8778
340 S7S 0.8778
341 S98 0.8777
342 TGX 0.8775
343 DZA 0.8774
344 AHC 0.8773
345 GXY 0.8773
346 2BX 0.8772
347 5XC 0.8771
348 3DM 0.8770
349 9FH 0.8767
350 826 0.8764
351 CIY 0.8763
352 L1Q 0.8759
353 MQN 0.8758
354 HPP 0.8757
355 J38 0.8753
356 L1T 0.8753
357 BNF 0.8751
358 PUE 0.8751
359 1X4 0.8750
360 SRO 0.8749
361 8CC 0.8748
362 BQ2 0.8748
363 CUW 0.8748
364 4P5 0.8748
365 27B 0.8747
366 FDR 0.8747
367 2PK 0.8746
368 J9N 0.8743
369 9ZE 0.8741
370 RSV 0.8739
371 ESP 0.8737
372 1SA 0.8737
373 IOS 0.8736
374 NDG 0.8735
375 KOJ 0.8735
376 HX4 0.8734
377 E79 0.8734
378 JND 0.8734
379 OOG 0.8734
380 FHV 0.8733
381 1Z6 0.8732
382 HHS 0.8732
383 36R 0.8731
384 MKN 0.8730
385 M4N 0.8728
386 SYE 0.8728
387 THA 0.8727
388 EUH 0.8727
389 152 0.8725
390 SOR 0.8725
391 RKV 0.8721
392 258 0.8721
393 3HG 0.8715
394 HBA 0.8715
395 4ZA 0.8714
396 8D6 0.8714
397 4TU 0.8713
398 IWT 0.8713
399 IPB 0.8712
400 4AA 0.8711
401 EKZ 0.8711
402 IFP 0.8710
403 KJU 0.8709
404 C53 0.8709
405 XUL 0.8708
406 DHB 0.8708
407 4JQ 0.8708
408 BHQ 0.8705
409 IOP 0.8704
410 OLU 0.8700
411 GF4 0.8700
412 M78 0.8699
413 EN1 0.8698
414 4VP 0.8692
415 CSN 0.8692
416 KTJ 0.8692
417 L03 0.8691
418 3HM 0.8690
419 FZM 0.8690
420 DDU 0.8690
421 INO 0.8689
422 2PV 0.8688
423 4V2 0.8688
424 HMH 0.8687
425 68A 0.8687
426 S60 0.8686
427 SG3 0.8685
428 7EH 0.8684
429 JLZ 0.8679
430 5O6 0.8675
431 PGH 0.8674
432 FA0 0.8674
433 KMH 0.8674
434 GLO 0.8673
435 GB5 0.8672
436 6RQ 0.8672
437 9GB 0.8672
438 5GU 0.8670
439 NYL 0.8667
440 13P 0.8667
441 BBK 0.8667
442 E3X 0.8666
443 CS2 0.8665
444 BGU 0.8664
445 NSP 0.8664
446 4FH 0.8664
447 GZQ 0.8663
448 PH2 0.8662
449 449 0.8662
450 X1R 0.8661
451 FHC 0.8659
452 NGA 0.8658
453 ENO 0.8658
454 YE6 0.8655
455 HHI 0.8653
456 A5H 0.8651
457 NPA 0.8651
458 M25 0.8650
459 1OT 0.8650
460 9VQ 0.8649
461 93K 0.8649
462 54E 0.8649
463 4NC 0.8648
464 5RD 0.8647
465 TWO 0.8646
466 F1A 0.8646
467 VGS 0.8646
468 S62 0.8646
469 VGD 0.8645
470 FER 0.8645
471 DOB 0.8643
472 DHI 0.8642
473 DMA 0.8642
474 IPE 0.8640
475 ZZT 0.8640
476 2HO 0.8640
477 DVK 0.8636
478 PPY 0.8636
479 BNX 0.8635
480 CHB 0.8634
481 4M0 0.8632
482 JCZ 0.8632
483 60L 0.8630
484 R1P 0.8622
485 DE5 0.8620
486 0FN 0.8615
487 24B 0.8614
488 6MW 0.8613
489 BZJ 0.8612
490 EV2 0.8611
491 IQ5 0.8610
492 HIS 0.8610
493 EFR 0.8610
494 SYV 0.8606
495 61M 0.8600
496 IHB 0.8600
497 LYS 0.8597
498 SJK 0.8597
499 2EC 0.8597
500 TRP 0.8597
501 DHC 0.8594
502 4HM 0.8594
503 IS2 0.8593
504 BHA 0.8592
505 P9P 0.8580
506 OVP 0.8579
507 WA1 0.8573
508 QME 0.8572
509 URS 0.8570
510 S8A 0.8570
511 6DH 0.8570
512 9TW 0.8568
513 PA5 0.8568
514 R10 0.8567
515 XM0 0.8564
516 4AU 0.8563
517 56D 0.8560
518 4FE 0.8559
519 FOM 0.8559
520 TYR 0.8553
521 TH7 0.8549
522 ZZZ 0.8548
523 GP9 0.8547
524 N2M 0.8547
525 XIZ 0.8546
526 6SD 0.8540
527 SME 0.8536
528 QSB 0.8533
529 V1T 0.8528
530 EXD 0.8524
531 BVA 0.8514
Ligand no: 2; Ligand: ATP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 ADP AF3 0.9964
2 ADP ALF 0.9801
3 ADP VO4 0.9704
4 BEF GDP 0.9696
5 GDP ALF 0.9646
6 GDP AF3 0.9633
7 GDP BEF 0.9621
8 ALF GDP 0.9621
9 DBG 0.9581
10 CTP 0.9340
11 UTP 0.9337
12 GDP MG 0.9246
13 DGT 0.9177
14 DCP 0.9141
15 DCP MG 0.9114
16 8DG 0.9051
17 MGT 0.9049
18 6U4 0.8990
19 2KH 0.8972
20 MSP 0.8951
21 TTP 0.8917
22 MOD 0.8909
23 8GT 0.8879
24 G2P 0.8852
25 DGI 0.8847
26 2TM 0.8819
27 L3U 0.8814
28 M7G 0.8804
29 GP2 0.8802
30 DUT 0.8788
31 UNP 0.8786
32 Y9Z 0.8773
33 F6G 0.8769
34 DUP 0.8755
35 GH3 0.8730
36 D3T 0.8684
37 0RC 0.8650
38 BUP 0.8621
39 DUT MG 0.8599
40 UDP 0.8570
41 TYR AMP 0.8561
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3B2Q; Ligand: AES; 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: 3b2q.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3B2Q; 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: 2) in the query (biounit: 3b2q.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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