Receptor
PDB id Resolution Class Description Source Keywords
1O6B 2.2 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE BACILLUS SUBTILIS STRUCTURAL GENOMICS TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:173;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CL A:172;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MG A:171;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:170;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O6B 2.2 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE BACILLUS SUBTILIS STRUCTURAL GENOMICS TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1O6B - 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 7 families.
1 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
2 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
6 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
7 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
8 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
9 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
10 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
11 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
12 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
13 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
14 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
15 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
16 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
18 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
20 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
21 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
22 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
23 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
24 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
26 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
27 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
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 : 1O6B; Ligand: ADP; Similar sites found: 336
This union binding pocket(no: 1) in the query (biounit: 1o6b.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.00000001116 0.60482 None
2 1JN2 SFP 0.007314 0.50136 None
3 3KPE TM3 0.0006201 0.50041 None
4 1ZFJ IMP 0.0000008083 0.48895 None
5 1UO5 PIH 0.007597 0.48504 None
6 2CCV A2G 0.00001996 0.47587 None
7 1UO4 PIH 0.01597 0.45735 None
8 1NU4 MLA 0.002232 0.45538 None
9 1UGX GAL MGC 0.00005095 0.45063 None
10 2ZE3 AKG 0.004935 0.45059 None
11 1JAC AMG 0.03463 0.4381 None
12 4AF5 CIT 0.01331 0.43541 None
13 3R51 MMA 0.03161 0.43356 None
14 3UWB BB2 0.02221 0.42448 None
15 1PTR PRB 0.02953 0.42346 None
16 2QLX RM4 0.03891 0.41732 None
17 1A5V Y3 0.02704 0.41553 None
18 1GSA ADP 0.00002774 0.41479 None
19 2O66 FLC 0.02979 0.41352 None
20 1ZJ6 G3D 0.01288 0.41329 None
21 1UW1 ADP 0.03088 0.41277 None
22 1KYV RBF 0.007103 0.41273 None
23 3D2Y AH0 ALA FGA LYS 0.006448 0.41089 None
24 1QDS PGA 0.01865 0.41027 None
25 3EM1 TYD 0.003461 0.40628 None
26 2F59 INI 0.009233 0.40496 None
27 4M6T SAM 0.0002546 0.40313 None
28 1YRX FMN 0.01738 0.40078 None
29 1XIU REA 0.0145 0.40063 None
30 1V47 ADX 0.0001734 0.50567 1.18343
31 2NVK NAP 0.0211 0.41613 1.18343
32 2DTJ THR 0.01947 0.40946 1.18343
33 1KDK DHT 0.004064 0.40846 1.18343
34 4DN8 BMA 0.006342 0.45116 1.28205
35 2GJ3 FAD 0.000008635 0.44976 1.66667
36 3TKA CTN 0.0131 0.4594 1.77515
37 1Z6K OAA 0.005812 0.43002 1.77515
38 4I9A NCN 0.000311 0.42628 1.77515
39 3A1I UNU 0.01236 0.41804 1.77515
40 4N7C AEF 0.03774 0.418 1.77515
41 1FNZ A2G 0.0009577 0.43064 2.1097
42 1JGS SAL 0.02809 0.45119 2.17391
43 2X3F APC 0.0008179 0.48475 2.36686
44 1DXY COI 0.00001484 0.48012 2.36686
45 4NG2 OHN 0.007856 0.42675 2.36686
46 2X61 NGA GAL SIA 0.00002237 0.42539 2.36686
47 2X61 CH 0.000004987 0.42268 2.36686
48 4OB6 S2T 0.006678 0.41742 2.36686
49 1EDO NAP 0.000217 0.40932 2.36686
50 3L02 SN0 0.0009655 0.40271 2.36686
51 3L02 CP 0.0009655 0.40271 2.36686
52 2J5S KTA 0.01117 0.40181 2.36686
53 4QN7 G39 0.0005917 0.40095 2.36686
54 4JCA CIT 0.01593 0.45741 2.39521
55 4IEN GDP 0.0009824 0.4108 2.45399
56 3DUR KDO 0.003128 0.45995 2.67857
57 2FR6 URI 0.00424 0.4178 2.73973
58 2FGQ MLT 0.00004706 0.55496 2.95858
59 3IHB TRS 0.001256 0.53519 2.95858
60 4M7F BM3 0.0002724 0.50272 2.95858
61 4P87 4NP 0.00008756 0.45075 2.95858
62 2WL9 MBD 0.0005184 0.43265 2.95858
63 2CYB TYR 0.003668 0.43151 2.95858
64 2GN2 C5P 0.003403 0.42517 2.95858
65 3L6R MLI 0.03702 0.41843 2.95858
66 2VAR AMP 0.01276 0.41744 2.95858
67 2BGM NAJ 0.00006082 0.41479 2.95858
68 4MAF ADX 0.01102 0.41223 2.95858
69 4HIA FMN 0.03657 0.40647 2.95858
70 2NLI FMN 0.00008312 0.40568 2.95858
71 2NLI LAC 0.00008312 0.40568 2.95858
72 1PR9 NAP 0.03875 0.40409 2.95858
73 1FIW PBZ 0.01112 0.40337 2.95858
74 2VAR KDF 0.02351 0.40223 2.95858
75 1LDM OXM 0.03061 0.40088 2.95858
76 4K7O EKZ 0.01639 0.43649 2.97619
77 3I8T LBT 0.000206 0.50826 3.04878
78 4K30 NLG 0.01509 0.42284 3.125
79 3PNA CMP 0.00637 0.43513 3.24675
80 4G28 0W8 0.006162 0.43577 3.3557
81 3NCQ ATP 0.00662 0.40398 3.36134
82 4Q3F TLA 0.008751 0.44433 3.4188
83 2NZ2 ASP 0.000132 0.51711 3.5503
84 3VOZ 04A 0.0002804 0.46729 3.5503
85 4AP9 1PS 0.0003693 0.45355 3.5503
86 1JSH SIA GAL 0.0002945 0.44872 3.5503
87 1FWE HAE 0.005021 0.43973 3.5503
88 1KC7 PPR 0.01533 0.43797 3.5503
89 4J75 TYM 0.007678 0.4348 3.5503
90 2BLE 5GP 0.00001184 0.4341 3.5503
91 4Q3S X7A 0.0003477 0.4297 3.5503
92 5D6C 57S 0.04824 0.4265 3.5503
93 3CQ5 PMP 0.01249 0.42208 3.5503
94 2QS8 MET 0.000428 0.42198 3.5503
95 1M1B SPV 0.02018 0.42159 3.5503
96 3ZKI WZV 0.007877 0.41944 3.5503
97 2VDJ HSE 0.04477 0.41942 3.5503
98 2C9O ADP 0.0003301 0.4163 3.5503
99 4LCQ URQ 0.0006762 0.41583 3.5503
100 2NZ2 CIR 0.001109 0.41511 3.5503
101 3ZOD HQE 0.01753 0.41498 3.5503
102 1QW9 KHP 0.001958 0.41008 3.5503
103 3I0O SMI 0.0438 0.40547 3.5503
104 1I2B UPG 0.002279 0.40455 3.5503
105 1I2B USQ 0.002279 0.40455 3.5503
106 1I2B NAD 0.002279 0.40455 3.5503
107 4DYO SD4 0.03346 0.40288 3.5503
108 1O68 KIV 0.04276 0.40188 3.5503
109 3CH5 GDP 0.00004948 0.43697 3.84615
110 3PHQ KDO 0.0001139 0.60732 4.14201
111 1FX8 BOG 0.000009471 0.52442 4.14201
112 1HFA PIO 0.003674 0.49313 4.14201
113 3K3G MMU 0.003044 0.45758 4.14201
114 2ET1 GLV 0.000003754 0.45058 4.14201
115 3F81 STT 0.02646 0.43782 4.14201
116 3NJQ NJQ 0.0003763 0.43029 4.14201
117 4DA6 GA2 0.0000002069 0.42842 4.14201
118 4KCF AKM 0.00001172 0.42588 4.14201
119 2JFV FLC 0.02289 0.42384 4.14201
120 4A3R CIT 0.0001136 0.42064 4.14201
121 2CYC TYR 0.006167 0.41997 4.14201
122 3MD0 GDP 0.01534 0.4181 4.14201
123 4TMK T5A 0.0006074 0.41673 4.14201
124 2HV8 GTP 0.001577 0.41633 4.14201
125 2Z5Y HRM 0.00093 0.41154 4.14201
126 4HZO COA 0.02663 0.41145 4.14201
127 5D63 FUC GLA GLA 0.04299 0.41028 4.14201
128 3MMR ABH 0.000004001 0.40564 4.14201
129 4IU0 ABH 0.006961 0.40018 4.14201
130 1H8P PC 0.01751 0.44766 4.58716
131 3ZZS TRP 0.00005832 0.42859 4.61538
132 3NOJ PYR 0.0006668 0.48822 4.73373
133 3B9Z CO2 0.001119 0.48792 4.73373
134 4FUA PGH 0.00002546 0.46809 4.73373
135 2TOH HBI 0.00005108 0.46662 4.73373
136 1SAZ ACP 0.00001052 0.44755 4.73373
137 1B74 DGN 0.01959 0.43846 4.73373
138 1I0Z OXM 0.03015 0.4347 4.73373
139 4NVP 7CH 0.00004248 0.43237 4.73373
140 3CEV ARG 0.008022 0.43067 4.73373
141 2Q1A 2KT 0.001477 0.424 4.73373
142 1JIL 485 0.002398 0.42349 4.73373
143 1V6A TRE 0.02546 0.41678 4.73373
144 2W8Q SIN 0.0463 0.41343 4.73373
145 1SQ5 PAU 0.0244 0.41321 4.73373
146 1Y7P RIP 0.04242 0.41057 4.73373
147 3G6K FAD 0.02933 0.40942 4.73373
148 3G6K POP 0.02909 0.40849 4.73373
149 1RYD GLC 0.04761 0.40808 4.73373
150 1G6O ADP 0.002489 0.40664 4.73373
151 4B0T ADP 0.0273 0.40233 4.73373
152 43CA NPO 0.01481 0.47197 5.30973
153 2H29 DND 0.00001606 0.57944 5.32544
154 1XX4 BAM 0.0005282 0.49292 5.32544
155 2XDQ MGX 0.002706 0.49185 5.32544
156 1RYI GOA 0.02585 0.45375 5.32544
157 1Y1A GSH 0.03245 0.45032 5.32544
158 1B55 4IP 0.001872 0.44388 5.32544
159 1QH9 LAC 0.009075 0.44356 5.32544
160 2V0C LEU LMS 0.004566 0.4403 5.32544
161 2Q8H TF4 0.02478 0.43938 5.32544
162 3FPZ AHZ 0.00007504 0.4269 5.32544
163 4JWX 1N4 0.0141 0.4242 5.32544
164 3M0J OAF 0.0002368 0.42355 5.32544
165 2Q37 3AL 0.01836 0.42354 5.32544
166 3MB5 SAM 0.000002076 0.42325 5.32544
167 1MVQ MMA 0.000303 0.42037 5.32544
168 3AFH GSU 0.00932 0.41583 5.32544
169 1YFZ IMP 0.03327 0.41121 5.32544
170 4C6F DOR 0.02138 0.40769 5.32544
171 4C6F NCD 0.02138 0.40769 5.32544
172 1R6U TYM 0.02963 0.40049 5.32544
173 1QD0 RR6 0.02077 0.40451 5.46875
174 4QN6 LNV 0.00007937 0.41906 5.6266
175 4NTX AMR 0.03935 0.4056 5.88235
176 2ZO9 MLI 0.000779 0.4672 5.91716
177 1PEA ACM 0.008307 0.45805 5.91716
178 4MOB ADP 0.00118 0.44521 5.91716
179 1NXJ TLA 0.001183 0.44518 5.91716
180 1NXJ GLV 0.00384 0.44491 5.91716
181 3SHR CMP 0.00604 0.43152 5.91716
182 4COQ SAN 0.02577 0.4213 5.91716
183 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.02756 0.41986 5.91716
184 4HPP GLU 0.0001326 0.41879 5.91716
185 4C25 13P 0.0005997 0.41744 5.91716
186 1EYQ NAR 0.01695 0.41616 5.91716
187 2C2A ADP 0.006496 0.41424 5.91716
188 4B7J G39 0.0004085 0.41078 5.91716
189 3PMA SCR 0.02811 0.41036 5.91716
190 1NML CIT 0.0293 0.40952 5.91716
191 1N6B DMZ 0.000231 0.4068 5.91716
192 2A2X NA9 0.01073 0.40247 5.91716
193 5DUB GLY 5GG GLY ALA 0.0007448 0.51744 6.50888
194 5DTF 5CT 0.0007614 0.51693 6.50888
195 5DS8 GLY 5CT GLY ALA 0.001264 0.50085 6.50888
196 2ZWS PLM 0.005032 0.49565 6.50888
197 4G1V FAD 0.0000004427 0.49528 6.50888
198 3IB9 BTN 0.00194 0.48714 6.50888
199 1SC3 MLI 0.01961 0.43844 6.50888
200 1YBH P22 0.008682 0.42469 6.50888
201 1ML4 PAL 0.001507 0.41862 6.50888
202 2ZJ5 ADP 0.0294 0.41379 6.50888
203 1E5F PLP 0.0106 0.4094 6.50888
204 2WIC GNP 0.003155 0.40766 6.50888
205 1KW6 BPY 0.000001308 0.40416 6.50888
206 3RF4 FUN 0.02547 0.41234 6.89655
207 1IZC PYR 0.00001319 0.49634 7.10059
208 2HFK E4H 0.0009023 0.47893 7.10059
209 3CBG 4FE 0.009568 0.47001 7.10059
210 1YOA FMN 0.02511 0.45411 7.10059
211 1O9U ADZ 0.01604 0.44974 7.10059
212 4O8A 2OP 0.02354 0.44061 7.10059
213 3LTW HLZ 0.02181 0.42487 7.10059
214 2HMT NAI 0.0000245 0.41606 7.10059
215 1YOA FAD 0.003005 0.41309 7.10059
216 3O03 NAP 0.00009899 0.40963 7.10059
217 3VGL BGC 0.0001951 0.43256 7.16511
218 3OCP CMP 0.005602 0.40573 7.19424
219 2BJF DXC 0.00001116 0.42908 7.29483
220 3KMT SAH 0.005005 0.42639 7.56302
221 1E4I NFG 0.000002539 0.50045 7.69231
222 3VCA PRO 0.0007221 0.48662 7.69231
223 1GZF ADP 0.0068 0.42053 7.69231
224 4MFL MFK 0.02425 0.41801 7.69231
225 1VCO GLN 0.001056 0.41579 7.69231
226 2WLT ASP 0.001045 0.40996 7.69231
227 3W8S GSH 0.04972 0.40281 7.69231
228 4LKK SIA GAL 0.004155 0.41814 7.7381
229 1JCM 137 0.0007523 0.41439 8.10811
230 1RZM E4P 0.004161 0.46663 8.28402
231 3EJ0 11X 0.002487 0.46166 8.28402
232 4B16 NAG 0.01556 0.45799 8.28402
233 3QVL 5HY 0.0000001431 0.44454 8.28402
234 1JA9 NDP 0.000009265 0.44404 8.28402
235 3MAG 3MA 0.02878 0.44272 8.28402
236 3ZPG 5GP 0.02655 0.43774 8.28402
237 3MAG SAH 0.001288 0.43349 8.28402
238 3MCT SAH 0.001389 0.42852 8.28402
239 4W6Z ETF 0.04267 0.42636 8.28402
240 5T85 44G 0.03198 0.42438 8.28402
241 3LST SAH 0.008133 0.41775 8.28402
242 1RZM PEP 0.02881 0.40986 8.28402
243 2WOX NDP 0.03337 0.40858 8.28402
244 1JA9 PYQ 0.00000404 0.40056 8.28402
245 1SS4 GSH 0.01506 0.46879 8.49673
246 1WKL ADP 0.000004123 0.43966 8.75912
247 1WKL ATP 0.000008689 0.40703 8.75912
248 1Y0L HAN 0.0003598 0.55069 8.87574
249 5DRN 5CT 0.001108 0.51783 8.87574
250 4HE2 AMP 0.000003483 0.47805 8.87574
251 5T63 ALA ALA ALA ALA 0.0004381 0.44263 8.87574
252 5DSC GLY 5CT GLY SER GLY 0.02282 0.42648 8.87574
253 5A2J ALA PRO ASP THR ARG PRO 0.03796 0.42613 8.87574
254 1BGV GLU 0.00007365 0.41709 8.87574
255 3TI8 LNV 0.0001415 0.40712 8.87574
256 3RGG AIR 0.02281 0.40646 9.43396
257 1A5Z OXM 0.0002345 0.53907 9.46746
258 1A5Z FBP 0.0001611 0.46688 9.46746
259 1T26 NAI 0.0001352 0.42775 9.46746
260 1T26 GBD 0.0001352 0.42775 9.46746
261 4CS4 AXZ 0.02935 0.4199 9.46746
262 4CS4 ANP 0.02641 0.41701 9.46746
263 4C2G ALA ALA ALA ALA 0.02371 0.40962 9.46746
264 4PNO U5P 0.000003509 0.55534 9.72222
265 1ULE GLA GAL NAG 0.01776 0.4407 10
266 4LBP 1WG 0.001092 0.40937 10
267 3TFC PEP 0.005099 0.44449 10.0592
268 1A8S PPI 0.0101 0.41976 10.0592
269 3GTD MLI 0.04975 0.4028 10.0592
270 2HVK TBA 0.00002882 0.56533 10.6509
271 3IJH KO2 0.005923 0.44967 10.6509
272 1QO0 BMD 0.03531 0.41453 10.6509
273 1ONX ASP 0.002018 0.4067 10.6509
274 2D4N DUP 0.0002858 0.44327 11.1842
275 3QDY CBS 0.01439 0.43937 11.1888
276 3QDW NDG 0.04545 0.41385 11.1888
277 1JQN DCO 0.00001695 0.45026 11.2426
278 1T10 F6P 0.01783 0.42415 11.2426
279 1Q3Q ANP 0.0001173 0.406 11.2426
280 1JOT GAL A2G 0.0000987 0.50866 11.2782
281 1NVV GNP 0.002149 0.40875 11.4458
282 4FGC PQ0 0.02522 0.41698 11.5152
283 1XP8 AGS 0.000007527 0.42442 11.8343
284 4TSK NDP 0.00002511 0.42416 11.8343
285 1J2Z SOG 0.0000315 0.41003 11.8343
286 1XMV ADP 0.00007205 0.40817 11.8343
287 1PFY MSP 0.005652 0.43721 12.426
288 2DWU DGL 0.03592 0.40149 12.426
289 3KJQ B94 0.02476 0.40127 12.6316
290 2B7N NTM 0.01512 0.42755 13.0178
291 3WCS MAN NAG GAL 0.01382 0.41593 13.0178
292 3KFL ME8 0.01786 0.41319 13.0178
293 1V5F TPP 0.005107 0.40031 13.0178
294 1V5F FAD 0.005107 0.40031 13.0178
295 4A6F SEP 0.02508 0.44614 13.3333
296 1V8K ANP 0.00002446 0.45287 13.6095
297 4B9E FAH 0.03754 0.41812 13.6095
298 2FH5 GTP 0.0000348 0.41162 13.6095
299 4N02 FNR 0.00008864 0.40701 13.6095
300 2BMK PDD 0.0283 0.42179 14.2012
301 1X54 4AD 0.01982 0.40945 14.2012
302 2F2U M77 0.02125 0.4078 14.2012
303 1NVU GTP 0.000007103 0.43546 14.7929
304 4CCO OGA 0.01481 0.42322 15
305 3ZIU LSS 0.003937 0.44355 15.3846
306 3HL4 CDC 0.00006383 0.43831 15.3846
307 2EB5 OXL 0.03576 0.41426 15.3846
308 2YIV YIV 0.008999 0.45623 15.9763
309 1JH7 UVC 0.00005084 0.42126 15.9763
310 1F9A ATP 0.000184 0.50439 16.6667
311 1Y75 NAG 0.005142 0.43927 16.9492
312 1OFH ADP 0.000005341 0.44159 17.7515
313 4LFL TG6 0.0103 0.42148 18.5185
314 2IZ1 ATR 0.04616 0.40874 18.9349
315 1G41 ADP 0.00000002925 0.45014 19.5266
316 4AF0 MOA 0.0005547 0.43166 19.5266
317 2P41 SAH 0.004432 0.41708 19.5266
318 4AF0 IMP 0.00001257 0.41161 19.5266
319 1P9B HDA 0.03454 0.41044 19.5266
320 1YUM NCN 0.00007648 0.52562 21.3018
321 1GPJ CIT 0.04351 0.41003 21.3018
322 2FOI JPA 0.019 0.40992 21.3018
323 1KQN NAD 0.0001002 0.53806 21.8935
324 1NUS APC 0.00001697 0.59016 22.4852
325 1NUS NMN 0.00002114 0.59016 22.4852
326 1K4M NAD 0.000004146 0.60039 23.0769
327 2OFE NAG 0.02556 0.42147 23.9437
328 2OFD NGA 0.03778 0.41308 23.9437
329 4JP3 CIT 0.0002034 0.41943 24.2604
330 4M5P MLA 0.01956 0.45233 24.8521
331 4M5P 23W 0.04631 0.41863 24.8521
332 1TV5 A26 0.0001238 0.46201 26.0355
333 1TV5 ORO 0.00664 0.41567 26.0355
334 1N1D C2G 0.00002993 0.42469 29.4574
335 2FYU FDN 0.009932 0.40375 30.7692
336 2Q3M MLA 0.03816 0.42905 34.9112
Pocket No.: 2; Query (leader) PDB : 1O6B; Ligand: ADP; Similar sites found: 6
This union binding pocket(no: 2) in the query (biounit: 1o6b.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4TXJ THM 0.02872 0.40762 1.77515
2 5LRT ADP 0.02489 0.40438 2.95858
3 4UYW H1S 0.0005701 0.47558 4.73373
4 5LUB 3Y7 0.01129 0.41088 9.46746
5 5LLT DND 0.000005458 0.40603 15.9763
6 5XDT MB3 0.01435 0.42688 27.8107
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