Receptor
PDB id Resolution Class Description Source Keywords
3MBI 1.8 Å EC: 2.7.6.1 CRYSTAL STRUCTURE OF THE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) FROM THERMOPLASMA VOLCANIUM IN COMPLEX WITH ADP-MG2+ AND RIP HOSPHATE THERMOPLASMA VOLCANIUM PHOSPHORIBOSYL TRANSFERASE ATP ANALOG BINDING RIBOSE 5-PHOBINDING TRANSFERASE
Ref.: THE STRUCTURES OF THERMOPLASMA VOLCANIUM PHOSPHORIB PYROPHOSPHATE SYNTHETASE BOUND TO RIBOSE-5-PHOSPHAT ANALOGS. J.MOL.BIOL. V. 413 844 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:288;
C:286;
D:288;
B:288;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
HSX D:286;
Valid;
none;
submit data
230.11 C5 H11 O8 P C([C@...
MG A:287;
C:289;
D:287;
B:287;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:286;
B:286;
C:287;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MBI 1.8 Å EC: 2.7.6.1 CRYSTAL STRUCTURE OF THE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) FROM THERMOPLASMA VOLCANIUM IN COMPLEX WITH ADP-MG2+ AND RIP HOSPHATE THERMOPLASMA VOLCANIUM PHOSPHORIBOSYL TRANSFERASE ATP ANALOG BINDING RIBOSE 5-PHOBINDING TRANSFERASE
Ref.: THE STRUCTURES OF THERMOPLASMA VOLCANIUM PHOSPHORIB PYROPHOSPHATE SYNTHETASE BOUND TO RIBOSE-5-PHOSPHAT ANALOGS. J.MOL.BIOL. V. 413 844 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3MBI - HSX C5 H11 O8 P C([C@@H]1[....
2 3NAG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3LPN - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3LRT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3MBI - HSX C5 H11 O8 P C([C@@H]1[....
2 3NAG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3LPN - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3LRT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
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 3MBI - HSX C5 H11 O8 P C([C@@H]1[....
2 3NAG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3LPN - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3LRT - 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
Ligand no: 2; Ligand: HSX; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 RP5 1 1
2 HSX 1 1
3 ABF 1 1
4 BGP 0.8 0.902439
5 M6D 0.8 0.902439
6 BG6 0.8 0.902439
7 A6P 0.8 0.902439
8 G6P 0.8 0.902439
9 M6P 0.8 0.902439
10 AHG 0.676471 0.880952
11 4R1 0.634146 0.755102
12 GLP 0.634146 0.755102
13 50A 0.615385 0.883721
14 RF5 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 4QY 0.553191 0.685185
18 16G 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 D6G 0.5 0.860465
22 G16 0.5 0.860465
23 PRP 0.5 0.975
24 1FT 0.490909 0.770833
25 N 0.47619 0.860465
26 PPC 0.469388 0.906977
27 T6P 0.469388 0.822222
28 32O 0.441176 0.675
29 RIB 0.441176 0.675
30 Z6J 0.441176 0.675
31 FUB 0.441176 0.675
32 AHR 0.441176 0.675
33 P3M 0.440678 0.822222
34 IRN 0.425926 0.606557
35 FGR 0.410714 0.655172
36 AHR AHR 0.404255 0.690476
37 TA6 0.404255 0.906977
38 F6P 0.404255 0.906977
39 FUB AHR 0.404255 0.690476
40 BNX 0.4 0.880952
41 ALX 0.4 0.880952
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3mbi.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 3mbi.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WEI GLC GAL 0.01475 0.42127 6.4982
Pocket No.: 3; Query (leader) PDB : 3MBI; Ligand: HSX; Similar sites found: 173
This union binding pocket(no: 3) in the query (biounit: 3mbi.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I1N SAH 0.01221 0.42441 None
2 1R18 SAH 0.01026 0.42091 1.76211
3 2Q4V ACO 0.03038 0.40131 1.76471
4 1TSD UMP 0.01033 0.40489 1.88679
5 1TLC DGP 0.01456 0.40004 1.88679
6 4ISK UMP 0.008013 0.4102 1.89394
7 1N2X SAM 0.003302 0.44741 2.09059
8 1RE8 BD2 0.03025 0.41919 2.09059
9 3HQP FDP 0.01011 0.40535 2.09059
10 2OHH FMN 0.02102 0.40516 2.09059
11 2WKQ GTP 0.02381 0.40241 2.09059
12 1OXV ANP 0.01083 0.40139 2.09059
13 1JA9 PYQ 0.007476 0.40907 2.18978
14 3S1S SAH 0.006343 0.43308 2.43902
15 3IHG FAD 0.01486 0.4213 2.43902
16 1MDZ DCS 0.02737 0.4121 2.43902
17 3VYW SAM 0.02112 0.40346 2.43902
18 2X4Z X4Z 0.04083 0.40288 2.43902
19 3C3Y SAH 0.001977 0.45313 2.53165
20 4ZOM 4Q3 0.02241 0.42082 2.66667
21 1P9P SAH 0.02656 0.4 2.68199
22 5MW4 5JU 0.005345 0.45701 2.78746
23 3W8X FAD 0.0151 0.43642 2.78746
24 4D9M 0JO 0.007959 0.42647 2.78746
25 1AZT GSP 0.01971 0.41367 2.78746
26 4IP7 FBP 0.01128 0.40974 2.78746
27 1F28 UMP 0.01105 0.40807 2.78746
28 2PWY SAH 0.0005334 0.48736 3.10078
29 1V97 FAD 0.03741 0.42343 3.13589
30 3LU1 NAD 0.01506 0.42226 3.13589
31 4IY7 KOU 0.01968 0.40334 3.13589
32 3ZBQ GDP 0.02121 0.40171 3.13589
33 1H0H 2MD 0.01938 0.41775 3.27103
34 3GDH SAH 0.009617 0.42547 3.3195
35 1D6S MET PLP 0.001917 0.45933 3.48432
36 1D6S PLP MET 0.001894 0.45782 3.48432
37 4D9C PMP 0.004687 0.44133 3.48432
38 3TKA SAM 0.004578 0.43681 3.48432
39 4FL3 ANP 0.009385 0.42119 3.48432
40 2GU8 796 0.04209 0.41728 3.48432
41 1OC2 NAD 0.04781 0.41616 3.48432
42 1WG8 SAM 0.005573 0.43752 3.50877
43 5KVA SAM 0.000853 0.47523 3.59712
44 3LGS SAH 0.01392 0.4091 3.74532
45 3LGS ADE 0.01392 0.4091 3.74532
46 1DL5 SAH 0.009767 0.42804 3.83275
47 2RKV COA 0.02761 0.4119 3.83275
48 2RKV ZBA 0.03155 0.4119 3.83275
49 1FIQ FAD 0.04296 0.40273 3.83275
50 2RGX AP5 0.04398 0.40779 3.8835
51 4KXL 6C6 0.04271 0.41179 3.94737
52 2HF9 GSP 0.02812 0.40166 3.9823
53 4POO SAM 0.00692 0.43274 4
54 1Z83 AP5 0.04153 0.40142 4.08163
55 3QTP 2PG 0.007765 0.40828 4.18118
56 1BXK NAD 0.03036 0.40516 4.18118
57 3NRZ FAD 0.0207 0.42064 4.26829
58 5UKL SIX 0.0222 0.40969 4.52962
59 5X40 ACP 0.01808 0.40847 4.52962
60 4ONC 40B 0.03313 0.40195 4.57746
61 1JG3 ADN 0.0006722 0.49068 4.68085
62 1T57 FMN 0.01399 0.41411 4.85437
63 4BFW ZVW 0.01417 0.43244 4.87805
64 2AAZ UMP 0.00762 0.41595 4.87805
65 3KC1 2T6 0.01853 0.4029 4.87805
66 2BNE U5P 0.02221 0.40235 4.97925
67 4BLW SAH 0.02437 0.40759 5.19031
68 4BLW AMP 0.04269 0.40287 5.19031
69 4M37 SAH 0.002268 0.45016 5.22648
70 3KO8 NAD 0.01496 0.42479 5.22648
71 4M38 SAH 0.01138 0.41699 5.22648
72 4GLL NAD 0.02839 0.41017 5.22648
73 2H8H H8H 0.01683 0.40314 5.22648
74 5APJ 76E 0.01735 0.41781 5.26316
75 1P1C SAH 0.005455 0.43639 5.52764
76 1EBG PAH 0.006164 0.42666 5.57491
77 4B2D FBP 0.01154 0.40927 5.57491
78 1WWZ ACO 0.02113 0.4121 5.66038
79 1P18 7HP 0.0000008535 0.62835 5.88235
80 1P18 PRP 0.0000008535 0.46798 5.88235
81 3PT9 SAH 0.01229 0.41179 5.92335
82 4KCT FDP 0.01167 0.4047 5.92335
83 3LXN MI1 0.01937 0.40369 5.92335
84 2Q4W FAD 0.04572 0.40128 5.92335
85 1XCL SAH 0.002206 0.46819 5.95745
86 1P4A PCP 0.000004075 0.58101 5.96491
87 2PVQ GSH 0.01775 0.40199 5.97015
88 2QQ0 TMP 0.01221 0.42822 5.97826
89 2QQ0 ANP 0.01391 0.42527 5.97826
90 1N62 FAD 0.01013 0.4402 6.0241
91 1CS4 GSP 0.02966 0.40318 6.22222
92 1V7C HEY 0.001269 0.47497 6.27178
93 5G5G FAD 0.007017 0.45166 6.27178
94 1QO8 FAD 0.03885 0.41243 6.27178
95 1G3M PCQ 0.03315 0.41171 6.27178
96 4LZJ 22H 0.01791 0.4117 6.27178
97 1SVK ALF GDP 0.03031 0.4052 6.27178
98 3HVJ 705 0.00126 0.48711 6.33484
99 3WYF GTP 0.02868 0.40393 6.39269
100 1DQN IMU 0.00001263 0.54079 6.52174
101 1QAN SAH 0.01078 0.41983 6.55738
102 1OFD AKG 0.03767 0.40474 6.62021
103 2HNK SAH 0.004344 0.43795 6.69456
104 4P32 ADP 0.01651 0.40886 6.82731
105 2C5L GTP 0.03047 0.40124 6.83761
106 5JSQ 6MS 0.00002918 0.49606 6.94444
107 3MB5 SAM 0.0004505 0.49106 7.05882
108 1PZM 5GP 0.000004133 0.56383 7.109
109 4FZV SAM 0.01992 0.40475 7.11297
110 1I9G SAM 0.003967 0.43992 7.14286
111 5E72 SAM 0.0171 0.4097 7.31707
112 4PIO AVI 0.03227 0.40496 7.31707
113 3ZEI AWH 0.004413 0.44857 7.41935
114 3DR4 G4M 0.02873 0.416 7.66551
115 4P83 U5P 0.0000004995 0.61153 7.69231
116 2OFW ADX 0.04352 0.40534 7.69231
117 1T3Q FAD 0.01025 0.43892 7.98611
118 4PPF FLC 0.008637 0.42556 8.01394
119 2DPM SAM 0.02631 0.4002 8.09859
120 2B4B COA 0.01063 0.41674 8.18713
121 2B4D COA 0.01617 0.40763 8.18713
122 3VC3 C6P 0.00189 0.46298 8.7108
123 1FFU FAD 0.005055 0.4541 8.7108
124 1QK3 5GP 0.000005334 0.5905 9.01288
125 3PC3 P1T 0.004087 0.43928 9.05923
126 3O3R NAP 0.03234 0.40491 9.05923
127 4EIL UMP 0.01453 0.40008 9.05923
128 3A4T SFG 0.006496 0.43091 9.12409
129 1I1D COA 0.01433 0.41514 9.31677
130 1I1D 16G 0.02847 0.40897 9.31677
131 2JKY 5GP 0.00001002 0.55586 9.38967
132 3GRU AMP 0.01142 0.42015 9.40767
133 1UJ2 C5P 0.03062 0.40113 9.52381
134 1E2K TMC 0.04133 0.40748 9.7561
135 1QSM ACO 0.0222 0.40833 9.86842
136 3OZG SSI 0.0000004068 0.62688 10.4
137 3GJX GTP 0.02991 0.40166 10.453
138 1J0D 5PA 0.001013 0.47839 10.8014
139 1L3I SAH 0.0157 0.41744 10.9375
140 1E6E FAD 0.04457 0.40384 10.9375
141 1ZN7 PRP 0.0000003105 0.63914 11.1111
142 1ZN7 ADE 0.0000002142 0.62913 11.1111
143 1ZN7 HSX 0.0000002142 0.60215 11.1111
144 1XTT U5P 0.000008223 0.56311 11.1111
145 2JBH 5GP 0.000004299 0.56301 11.1111
146 5W8V 9YP 0.000004138 0.59378 11.1628
147 2B3D FAD 0.02595 0.40345 11.2745
148 5W10 CMP 0.01872 0.40268 11.7949
149 4RHY 3QG 0.000004634 0.47098 11.9403
150 3SSO SAH 0.01143 0.43936 12.1951
151 3HRD FAD 0.0106 0.44204 12.5436
152 1MZV AMP 0.0000002582 0.62525 12.766
153 2BES RES 0.008326 0.41181 12.7907
154 3OFK SAH 0.01517 0.41234 12.963
155 1HGX 5GP 0.000005063 0.55964 13.1148
156 3ACC 5GP 0.000001013 0.59283 14.3646
157 1L1Q 9DA 0.0000004059 0.63638 14.5161
158 3QF7 ANP 0.01059 0.415 16
159 1QB7 ADE 0.000007077 0.55644 16.1017
160 2PS1 PRP 0.00000264 0.59598 16.3717
161 2PS1 ORO 0.000002299 0.57592 16.3717
162 4YGM URA 0.01171 0.40601 17.3077
163 1LH0 PRP 0.00001027 0.58953 17.8404
164 1LH0 ORO 0.0001812 0.4975 17.8404
165 1O5O U5P 0.00001567 0.54327 18.552
166 4BQS ADP 0.04172 0.40341 19.3182
167 4BQS K2Q 0.04172 0.40341 19.3182
168 1UPF URF 0.00002694 0.55055 21.4286
169 2FXV 5GP 0.00002077 0.55845 21.6495
170 1ECC PCP 0.00001164 0.57114 23.6934
171 4OI4 ATP 0.02101 0.40517 25.2174
172 1N07 FMN 0.04028 0.40212 27.6074
173 4JLS 3ZE 0.000005041 0.53074 27.6316
Pocket No.: 4; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3mbi.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3mbi.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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