Receptor
PDB id Resolution Class Description Source Keywords
3VOT 1.8 Å EC: 6.3.2.28 CRYSTAL STRUCTURE OF L-AMINO ACID LIGASE FROM BACILLUS LICHE BACILLUS LICHENIFORMIS ATP-GRASP MOTIF LIGASE ATP-BINDING
Ref.: THE STRUCTURE OF L-AMINO-ACID LIGASE FROM BACILLUS LICHENIFORMIS ACTA CRYSTALLOGR.,SECT.D V. 68 1535 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CA A:502;
A:503;
A:504;
A:505;
A:506;
B:502;
B:503;
B:504;
B:505;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:507;
B:506;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
PG4 B:507;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VOT 1.8 Å EC: 6.3.2.28 CRYSTAL STRUCTURE OF L-AMINO ACID LIGASE FROM BACILLUS LICHE BACILLUS LICHENIFORMIS ATP-GRASP MOTIF LIGASE ATP-BINDING
Ref.: THE STRUCTURE OF L-AMINO-ACID LIGASE FROM BACILLUS LICHENIFORMIS ACTA CRYSTALLOGR.,SECT.D V. 68 1535 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VOT - ADP C10 H15 N5 O10 P2 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 2 families.
1 3VOT - ADP C10 H15 N5 O10 P2 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 2 families.
1 3VOT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
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 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
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 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VOT; Ligand: ADP; Similar sites found: 343
This union binding pocket(no: 1) in the query (biounit: 3vot.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G5D 1N1 0.002392 0.48067 1.3986
2 2IO8 ADP 0.00009912 0.41963 1.41176
3 2OFV 242 0.001864 0.46928 1.44404
4 4PZ6 GMP 0.0005181 0.42718 1.48883
5 1JPA ANP 0.00006115 0.52239 1.60256
6 4YZC STU 0.009446 0.43428 1.7284
7 2HK5 1BM 0.0009346 0.40423 1.85185
8 3TKI S25 0.001201 0.49491 1.85759
9 2HY0 306 0.002507 0.42229 1.86335
10 4CYI ATP 0.0003464 0.48454 1.88235
11 3UDZ ADP 0.00009858 0.45008 1.88235
12 4CFT M48 0.01232 0.40772 1.88235
13 3FHR P4O 0.001514 0.40257 1.88235
14 5MW8 ATP 0.00004672 0.53127 2.11765
15 2HGS ADP 0.00003373 0.44447 2.11765
16 3HZT J60 0.001439 0.44053 2.11765
17 2RIO ADP 0.001885 0.41483 2.11765
18 2Z7R STU 0.0002138 0.43161 2.18069
19 4CSV STI 0.0002643 0.40828 2.18182
20 3PN1 IVH 0.0001423 0.47209 2.20126
21 4FG8 ATP 0.0009634 0.41242 2.22222
22 4NFN 2KC 0.00001252 0.4989 2.26537
23 5GZ9 ANP 0.002946 0.44316 2.29508
24 3M2W L8I 0.0007784 0.44594 2.34114
25 3WVR AMP 0.00001418 0.50996 2.35294
26 2FB3 GTP 0.02227 0.40825 2.35294
27 3BP1 GUN 0.02219 0.41041 2.41379
28 5USZ SKE 0.00006531 0.40855 2.42215
29 4A4X JUP 0.0006567 0.4805 2.50896
30 3SRV S19 0.0006105 0.43412 2.52708
31 4F4P 0SB 0.002859 0.4789 2.5641
32 5VCV 1N1 0.0003332 0.40287 2.57235
33 4YLL 4E3 0.001447 0.45828 2.58824
34 5NCY 8TK 0.00006997 0.40343 2.58824
35 3BU5 ATP 0.002086 0.40887 2.61438
36 2PYW ADP 0.00001987 0.47429 2.61905
37 4OCV ANP 0.00001108 0.48541 2.63852
38 5DEY 59T 0.0003741 0.52186 2.6936
39 3ZGJ RMN 0.007837 0.41067 2.69542
40 3KRR DQX 0.003793 0.47523 2.71186
41 4G17 0VN 0.00007814 0.50557 2.72727
42 2YAB AMP 0.0003565 0.48173 2.77008
43 4LH7 1X8 0.0003143 0.49538 2.78638
44 5UIU 8CG 0.00393 0.44629 2.78638
45 4OUC 5ID 0.0009118 0.4551 2.80112
46 3ETH ATP 0.000001116 0.50597 2.8169
47 5X8I SQZ 0.0008069 0.42658 2.82353
48 5HVJ ANP 0.0002745 0.4953 2.85714
49 1BYG STU 0.0003296 0.45253 2.8777
50 4R78 AMP 0.0001736 0.48992 2.91262
51 5C03 AGS 0.00001469 0.54574 2.92398
52 5MJA 7O3 0.0009336 0.45462 2.95082
53 4IZY 1J2 0.0001597 0.43653 2.98103
54 2VN9 GVD 0.001466 0.44558 2.99003
55 5H2U 1N1 0.002369 0.40261 2.99625
56 5DA3 58V 0.002298 0.43105 3.01887
57 4UX9 ANP 0.0002289 0.427 3.02198
58 4DC2 ADE 0.0004701 0.47328 3.0303
59 3PTG 932 0.0004929 0.45578 3.0303
60 4WNK 453 0.002411 0.45697 3.05882
61 5VLQ ANP 0.000002971 0.45472 3.05882
62 5DXT 5H5 0.001618 0.45007 3.05882
63 3AKK ADP 0.001209 0.45617 3.07692
64 4IDT T28 0.002667 0.40853 3.08989
65 5VC5 96M 0.0001365 0.51618 3.11419
66 5EOB 5QQ 0.009746 0.44725 3.1348
67 3W0O ADP 0.00002115 0.40884 3.15186
68 3W0O HY0 0.00002115 0.40884 3.15186
69 4WOV 3SM 0.001874 0.42727 3.15457
70 1GSA ADP 0.0000006367 0.49587 3.16456
71 4BKJ STI 0.0005119 0.48412 3.1746
72 4CS9 AMP 0.005311 0.41041 3.1746
73 5A6N U7E 0.0003723 0.48082 3.18021
74 5TO8 7FM 0.0004708 0.50369 3.19149
75 1S68 AMP 0.004011 0.40874 3.21285
76 5UR1 YY9 0.0005068 0.50558 3.21543
77 4XH0 ADP 0.00005822 0.52283 3.22581
78 2WQN ADP 0.0003164 0.46153 3.22581
79 2F2U M77 0.0002085 0.47966 3.23383
80 4BHN BH9 0.000479 0.41649 3.29341
81 4UWH JXM 0.0001699 0.46617 3.29412
82 4TWP AXI 0.0006679 0.50154 3.32103
83 5FBN 5WF 0.00628 0.44109 3.32103
84 5IGI ZIT 0.0001565 0.52705 3.32226
85 5IGI GMP 0.0001472 0.52705 3.32226
86 3E7O 35F 0.002063 0.46316 3.33333
87 4N70 2HX 0.0009455 0.49668 3.35366
88 2XMY CDK 0.001172 0.5036 3.3557
89 4XLI 1N1 0.0001838 0.4535 3.35821
90 5JZJ AN2 0.001776 0.44376 3.367
91 2CIR BG6 0.006495 0.42276 3.367
92 3UIM ANP 0.0002872 0.43655 3.37423
93 5TDF ADP 0.00001242 0.55456 3.39506
94 4CC6 L5Y 0.0001917 0.48786 3.45912
95 2Q7D ANP 0.00001781 0.43886 3.46821
96 2R5T ANP 0.00009697 0.43734 3.48525
97 3CY2 MB9 0.0001698 0.42482 3.50318
98 4CRL C1I 0.001136 0.47765 3.50877
99 4OTH DRN 0.0003875 0.41887 3.51906
100 2PUL ACP 0.00009665 0.46959 3.52645
101 2ZV2 609 0.0001967 0.48083 3.52941
102 5COU ATP 0.00106 0.45443 3.52941
103 2H8H H8H 0.001296 0.41522 3.52941
104 1CM8 ANP 0.001281 0.42259 3.54223
105 3X01 AMP 0.000154 0.50355 3.56234
106 4LWA Q13 0.02687 0.41466 3.58127
107 4ZS4 ATP 0.0006819 0.41569 3.58306
108 3TDV GDP 0.0006632 0.42693 3.59477
109 5IQD GNP 0.0002635 0.51408 3.60656
110 5IQD RIO 0.0002796 0.51408 3.60656
111 4USF 6UI 0.0002399 0.49847 3.61842
112 3AQV TAK 0.0007734 0.42477 3.62319
113 5HQ0 LZ9 0.0003196 0.48623 3.64238
114 3PLS ANP 0.0004203 0.44054 3.69128
115 5LI9 ACP 0.0009089 0.41783 3.71429
116 5EKO N17 0.00274 0.4447 3.77358
117 3MVH WFE 0.0003719 0.49776 3.80117
118 2JDR L20 0.002205 0.48338 3.80117
119 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.002205 0.48338 3.80117
120 3I0O ADP 0.00007716 0.49978 3.83481
121 2YMZ LAT 0.0162 0.41232 3.84615
122 4EN4 GT0 0.04447 0.40129 3.84615
123 4EN4 GT1 0.04447 0.40129 3.84615
124 5LXM ADP 0.0002933 0.481 3.88693
125 3V8S 0HD 0.0012 0.42311 3.90244
126 4OUJ LBT 0.004939 0.42893 3.90879
127 4U44 3D9 0.0005719 0.42929 3.91566
128 2B9J ADP 0.001322 0.42603 3.96601
129 2B9F ADP 0.001019 0.41877 3.96601
130 2B9I ADP 0.002191 0.41017 3.96601
131 5M06 ADP 0.0002074 0.48552 3.98551
132 2WEL K88 0.001458 0.45324 4
133 4OAV ACP 0.0003199 0.44603 4
134 4IJP 1EH 0.003954 0.43328 4
135 3TPV ADE 0.0005125 0.42194 4
136 1PHK ATP 0.002334 0.4012 4.02685
137 4O4F ATP 0.0004206 0.48833 4.03226
138 4O4F IHP 0.0004568 0.48833 4.03226
139 4DFU QUE 0.0000243 0.53896 4.03727
140 5C4L 4XR 0.0001177 0.52451 4.04984
141 5C4L SIS 0.00173 0.46565 4.04984
142 3GC8 B45 0.0002778 0.41612 4.05405
143 1XJD STU 0.0001192 0.45342 4.05797
144 5EW9 5VC 0.04493 0.43158 4.05904
145 1UPR 4IP 0.00382 0.41762 4.06504
146 1OUK 084 0.001315 0.51885 4.09836
147 4XV1 904 0.0005864 0.49224 4.10959
148 5U6C 7YS 0.0003783 0.48479 4.12698
149 2R7K AMZ 0.000005007 0.43154 4.15512
150 5LXC 7AA 0.0001267 0.49564 4.16667
151 4OH4 ANP 0.0001955 0.44576 4.2042
152 5LPZ ADP 0.000161 0.44814 4.21687
153 4Y85 499 0.009567 0.40887 4.21687
154 3IGO ANP 0.0004052 0.41861 4.23529
155 5AWM ANP 0.0002244 0.47816 4.31472
156 4CQE CQE 0.0003491 0.41511 4.31655
157 4XYM A12 0.000008528 0.55983 4.34783
158 1M0W ANP 0.000006464 0.55675 4.47059
159 2IF8 ADP 0.0001068 0.50732 4.47059
160 1V0O INR 0.001277 0.40937 4.51389
161 1ZY5 ANP 0.0003214 0.44602 4.62046
162 5DMZ ADP 0.001674 0.41155 4.65753
163 4H3P ANP 0.000864 0.42017 4.69613
164 5BVE 4VG 0.002935 0.4798 4.70914
165 3PDT ADP 0.005076 0.40348 4.72727
166 5LPB ADP 0.0001397 0.48776 4.72973
167 2F57 23D 0.001839 0.41975 4.73186
168 2V7O DRN 0.0001012 0.50114 4.7619
169 4UAL 3FV 0.0000196 0.53975 4.77327
170 3NW7 LGV 0.01437 0.43255 4.88599
171 4G9N NGA 0.01786 0.40782 4.8951
172 1OBD ATP 0.00226 0.42446 4.90196
173 5T8O 76Z 0.0008338 0.41604 4.94118
174 1VJY 460 0.005334 0.44225 4.9505
175 1K3A ACP 0.0009925 0.45079 5.01672
176 3LXN MI1 0.0005299 0.41464 5.03145
177 1ZTH ADP 0.0005641 0.4595 5.03876
178 1ZP9 ATP 0.001022 0.43268 5.03876
179 2QLU ADE 0.008401 0.41525 5.09554
180 5LXT ACP 0.000006087 0.47576 5.17647
181 5DBX ANP 0.00561 0.41542 5.18293
182 4NST ADP 0.0003843 0.47784 5.22388
183 1SLT NDG GAL 0.02426 0.40018 5.22388
184 5KO1 6UY 0.0005738 0.4357 5.30035
185 2BKK ADP 0.00002205 0.52844 5.32544
186 5CEO 50D 0.001907 0.44451 5.33333
187 5CKW ANP 0.00001193 0.53756 5.41176
188 4AZW ATP 0.000001652 0.49826 5.41176
189 4AZT LY2 0.0001085 0.49287 5.41176
190 5HCY 60D 0.00955 0.44009 5.43807
191 1CKN GTP 0.00196 0.43953 5.45455
192 1CKM GTP 0.0007771 0.40686 5.45455
193 3GC0 AMP 0.00002618 0.50939 5.47112
194 5EFQ ADP 0.0003052 0.48264 5.4755
195 4CLI 5P8 0.003847 0.46075 5.50459
196 5UOX 8GY 0.0002779 0.41737 5.53506
197 4GLW 0XT 0.0003796 0.47366 5.57377
198 3PP0 03Q 0.0006158 0.40047 5.6213
199 3HAV ATP 0.00002476 0.54383 5.68562
200 3N29 NSD 0.003689 0.43316 5.74163
201 5N87 N66 0.009092 0.43402 5.7508
202 4X7Q 3YR 0.0005659 0.43068 5.76923
203 2Y6O 1N1 0.0009386 0.40116 5.84192
204 5JFS 6K0 0.0007374 0.49482 5.84416
205 3KN5 ANP 0.0002794 0.47665 5.84615
206 5NBW 8SK 0.002006 0.4262 5.85586
207 5HES 032 0.0009797 0.46466 5.86319
208 5FI4 5XV 0.003252 0.44277 5.88235
209 1Q8Y ADE 0.0003477 0.47549 5.89812
210 1Q8Y ADP 0.0006802 0.41283 5.89812
211 5DG2 GAL GLC 0.01662 0.40827 5.92593
212 5L8L ADP 0.004598 0.41699 5.98291
213 4GQP B40 0.01066 0.40656 6.0241
214 5DZT AMP 0.000007581 0.51428 6.11765
215 5IH9 6BF 0.002669 0.4613 6.26866
216 4WNP 3RJ 0.00008801 0.487 6.27178
217 1U5R ATP 0.001141 0.4232 6.32184
218 4O1P ANP 0.00049 0.43205 6.35294
219 4P5Z Q7M 0.001006 0.48548 6.37119
220 5BV3 M7G 0.01293 0.40646 6.37681
221 3FV3 IVA VAL VAL STA ALA STA 0.01592 0.41302 6.48968
222 5UKL SIX 0.01696 0.41164 6.48968
223 4YRY NAD 0.04265 0.4098 6.52174
224 4E1Z 0MX 0.0004975 0.40187 6.52921
225 4GYI ADP 0.00005873 0.49509 6.54912
226 4L3L 5FI 0.00005204 0.54066 6.57895
227 5AX9 4KT 0.0005313 0.4711 6.81818
228 2PZI AXX 0.0005541 0.4503 6.82353
229 3TII ANP 0.00001254 0.53655 6.84211
230 4WN5 MVC 0.0159 0.40719 6.95652
231 3RE4 TO1 0.0001584 0.48522 6.97674
232 3ALN ANP 0.0002653 0.44505 7.03364
233 4I6H 1C8 0.0004203 0.43055 7.14286
234 4RDL FUC GAL NDG FUC 0.002115 0.4106 7.14286
235 2PVF ACP 0.001677 0.41821 7.18563
236 1IA9 ANP 0.00006584 0.44963 7.5
237 4U98 ACP 0.00007491 0.47331 7.52941
238 4YMJ 4EJ 0.00005936 0.52447 7.56579
239 3RI1 3RH 0.0007324 0.48142 7.66773
240 4Y0X ADP 0.00003234 0.52368 7.73333
241 3KMW ATP 0.00005536 0.47069 7.74908
242 4JDI ANP 0.0008099 0.41487 7.80347
243 4AUA 4AU 0.0001551 0.49418 7.81759
244 3SXS PP2 0.0009755 0.40705 7.83582
245 5I35 ANP 0.000003178 0.52482 7.88804
246 3DAK ANP 0.005524 0.40187 7.93103
247 4Y8D 49J 0.0007257 0.42758 7.94118
248 1TZD ADP 0.0006433 0.47998 8
249 5JKG 6LF 0.003293 0.45896 8.03859
250 5W4W 9WG 0.0001864 0.51444 8.1571
251 4KBA 1QM 0.0004927 0.46824 8.1571
252 1OKE BOG 0.007389 0.40736 8.37563
253 3GNI ATP 0.000567 0.41079 8.48329
254 4ZGP ADP 0.001317 0.44994 8.53242
255 1O9U ADZ 0.000009115 0.57214 8.57143
256 3F7Z 34O 0.0001222 0.50168 8.57143
257 4BTK DTQ 0.000003386 0.57627 8.60534
258 1U59 STU 0.0002466 0.44333 8.7108
259 2J73 GLC GLC GLC 0.01269 0.40986 8.73786
260 3DLS ADP 0.00002118 0.53238 8.95522
261 2X4Z X4Z 0.003246 0.45573 9.12162
262 4IX4 ADP 0.000001725 0.5961 9.14286
263 4YZN 4K5 0.0006545 0.47516 9.40767
264 4AU8 Z3R 0.001043 0.44707 9.45946
265 1UNH IXM 0.0001135 0.49501 9.58904
266 3O0G 3O0 0.0002478 0.48449 9.58904
267 3TXO 07U 0.00004562 0.48956 9.63173
268 5MY8 RXZ 0.0006709 0.47831 9.66057
269 1KJ8 ATP 0.000003153 0.40582 9.71867
270 1KJ8 GAR 0.000003391 0.40075 9.71867
271 1W2D ADP 0.000287 0.47318 9.81132
272 3TY5 ADP 0.003244 0.41082 9.92736
273 4FE2 ADP 0.002424 0.4225 10.1961
274 5FLJ QUE 0.002533 0.44456 10.2151
275 2WU6 DKI 0.0005333 0.4067 10.2362
276 4KS7 X4Z 0.0005384 0.40605 10.274
277 3HMO STU 0.001277 0.42166 10.3529
278 3K5I ADP 0.000001267 0.51587 10.4218
279 3K5I AIR 0.000007293 0.42177 10.4218
280 4BFM ANP 0.0003248 0.42485 10.479
281 2QK4 ATP 0.0000009913 0.57573 10.8235
282 2VZ6 FEF 0.001202 0.43683 10.8626
283 5K2M ADP 0.000001401 0.60831 11.3208
284 3C0G 3AM 0.0003911 0.45885 11.396
285 2A19 ANP 0.0002235 0.47825 11.4286
286 4BCN T9N 0.00008812 0.48669 11.4504
287 4CFU 2WC 0.0001227 0.47083 11.4504
288 4I94 ANP 0.000263 0.44892 11.6667
289 4BCM T7Z 0.0002534 0.4614 11.8321
290 3GGF GVD 0.0008063 0.43933 11.9601
291 5LMK 6ZK 0.001119 0.4509 12.0155
292 4BCQ TJF 0.0004618 0.46355 12.2137
293 4JR7 GNP 0.0001792 0.49371 12.2995
294 2GU8 796 0.00125 0.49574 12.7596
295 1TQP ATP 0.00004162 0.43824 12.766
296 1RE8 BD2 0.00188 0.47902 13.1429
297 3IDB ANP 0.0004689 0.40942 13.1429
298 3HRD MCN 0.01509 0.42271 13.1757
299 4F9C 0SX 0.0006747 0.43139 13.1944
300 1VKF CIT 0.01386 0.40221 13.2979
301 1I7L ATP 0.00002134 0.446 13.5922
302 5LI1 ANP 0.0004632 0.48051 13.8418
303 3OFM 4B0 0.000114 0.49493 14.2857
304 2YRX AMP 0.00001225 0.55736 14.4124
305 1PK8 ATP 0.000002486 0.46397 14.455
306 4WB6 ATP 0.0005492 0.48436 14.5714
307 4WW7 AMP 0.000004677 0.57771 15.508
308 3ORQ ADP 0.000006468 0.48478 15.5294
309 4M69 ANP 0.0004684 0.47819 15.5477
310 5W2I I3P 0.00007056 0.52461 15.9533
311 5W2I ADP 0.00007056 0.52461 15.9533
312 4LO2 GAL BGC 0.004262 0.43265 16.3265
313 3VPB ADP 0.00000003479 0.51596 17.0213
314 3VPC ADP 0.00001209 0.46033 17.0213
315 4LRJ ANP 0.0008113 0.42848 17.1598
316 3PE2 E1B 0.0000813 0.55056 17.2107
317 5VZ0 ADP 0.00001165 0.54768 17.8824
318 1AUX AGS 0.000000892 0.5349 18.328
319 5EYK 5U5 0.001583 0.46313 18.6441
320 5G1X ADP 0.000575 0.43582 19.0476
321 2VQD AP2 0.00006651 0.44459 19.0588
322 2VPQ ANP 0.00002546 0.45547 19.2941
323 1EHI ADP 0.000001532 0.51597 19.6286
324 3H9R TAK 0.00772 0.41098 20.1835
325 2YW2 ATP 0.0000007364 0.51604 20.5189
326 4MV1 ADP 0.0001642 0.51879 20.9412
327 1T36 ADP 0.000005895 0.44057 22.8235
328 4C2W ANP 0.001737 0.43672 23.0769
329 3LQV ADE 0.004879 0.43145 23.0769
330 3V4S ATP 0.0000001437 0.53224 24.031
331 3V4S ADP 0.00000192 0.41781 24.031
332 4ME6 ADP 0.0000002271 0.644 24.3523
333 3VPD ANP 0.0000006482 0.51128 25.9786
334 1E4E ADP 0.0000003355 0.5379 27.4052
335 3ZRM ZRM 0.0001348 0.4557 28.125
336 4NM5 ADP 0.04981 0.4069 33.3333
337 1IOW PHY 0.0000001867 0.67179 34.6405
338 1IOW ADP 0.0000001867 0.67179 34.6405
339 5C1P DAL DAL 0.000001596 0.60793 35.6209
340 5C1P ADP 0.000001948 0.57792 35.6209
341 5LVP ATP 0.0008751 0.45336 40
342 2B9H ADP 0.001115 0.45787 42.8571
343 4Q5H ANP 0.00009071 0.45932 43.4211
Pocket No.: 2; Query (leader) PDB : 3VOT; Ligand: ADP; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 3vot.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FB3 MET 0.009366 0.40493 2.35294
2 2FB3 5AD 0.01223 0.40167 2.35294
3 2CFM AMP 0.00651 0.40994 3.76471
4 3DNT ATP 0.0004718 0.40245 4
5 1U25 IHS 0.01331 0.40643 4.1543
6 2WBV SIA 0.01187 0.40982 4.2328
7 2BOY BHO 0.009675 0.40426 5.90551
8 2YNE YNE 0.04367 0.42535 10.1562
9 2YNE NHW 0.04367 0.42535 10.1562
10 1MDC PLM 0.01896 0.40341 11.3636
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