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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: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Ligand no: 2; Ligand: HSX; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 ABF 1 1
2 HSX 1 1
3 RP5 1 1
4 A6P 0.8 0.902439
5 M6P 0.8 0.902439
6 G6P 0.8 0.902439
7 BGP 0.8 0.902439
8 M6D 0.8 0.902439
9 BG6 0.8 0.902439
10 AHG 0.676471 0.880952
11 GLP 0.634146 0.755102
12 4R1 0.634146 0.755102
13 RF5 0.615385 0.883721
14 50A 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 16G 0.553191 0.685185
18 4QY 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 RI2 0.534884 0.95
22 XYT 0.5 0.822222
23 PRP 0.5 0.975
24 G16 0.5 0.860465
25 D6G 0.5 0.860465
26 1FT 0.490909 0.770833
27 N 0.47619 0.860465
28 PPC 0.469388 0.906977
29 T6P 0.469388 0.822222
30 Z6J 0.441176 0.675
31 RIB 0.441176 0.675
32 FUB 0.441176 0.675
33 32O 0.441176 0.675
34 AHR 0.441176 0.675
35 P3M 0.440678 0.822222
36 IRN 0.425926 0.606557
37 FGR 0.410714 0.655172
38 FUB AHR 0.404255 0.690476
39 F6P 0.404255 0.906977
40 TA6 0.404255 0.906977
41 AHR AHR 0.404255 0.690476
42 ALX 0.4 0.880952
43 BNX 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 with APoc: 14
This union binding pocket(no: 1) in the query (biounit: 3mbi.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4FE2 ADP 2.7451
2 4GBD MCF 2.78746
3 2YPO PHE 3.83275
4 4BUZ OCZ 4.87805
5 4BUZ OAD 4.87805
6 4BUZ NAD 4.87805
7 2YD6 FLC 6.60377
8 3B00 16A 6.98529
9 1Z0N BCD 7.29167
10 4YEF 4CQ 7.86517
11 3UB7 ACM 9.39227
12 1P1M MET 9.7561
13 5FM0 WAQ 11.5385
14 1U1B PAX 16.9355
Pocket No.: 2; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 3mbi.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3IS2 FAD 3.24675
2 5XFV FMN 6.27178
3 4WEI GLC GAL 6.4982
4 6C0B MLI 7.05128
Pocket No.: 3; Query (leader) PDB : 3MBI; Ligand: HSX; Similar sites found with APoc: 264
This union binding pocket(no: 3) in the query (biounit: 3mbi.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1I1N SAH None
2 5NM7 GLY 1.12782
3 5B3A 0JO 1.74216
4 1R18 SAH 1.76211
5 2Q4V ACO 1.76471
6 1TSD UMP 1.88679
7 1AXW UMP 1.88679
8 1TLC DGP 1.88679
9 4ISK UMP 1.89394
10 6CDZ UMC 1.90114
11 2X2T GAL NGA 1.96078
12 5D85 P1T 2.09059
13 1N2X SAM 2.09059
14 1RE8 BD2 2.09059
15 3NTA FAD 2.09059
16 3NT6 FAD 2.09059
17 2OHH FMN 2.09059
18 1Y57 MPZ 2.09059
19 3HQP FDP 2.09059
20 2WKQ GTP 2.09059
21 1OXV ANP 2.09059
22 1JA9 PYQ 2.18978
23 3S1S SAH 2.43902
24 4YSW FAD 2.43902
25 4YSW NAI 2.43902
26 3IHG FAD 2.43902
27 1MDZ DCS 2.43902
28 4EUO ABU 2.43902
29 3VYW SAM 2.43902
30 5XVG 8FX 2.43902
31 3C3Y SAH 2.53165
32 4K26 SFF 2.53623
33 5GVR LMR 2.5641
34 1P9P SAH 2.68199
35 5MW4 5JU 2.78746
36 3W8X FTK 2.78746
37 3W8X FAD 2.78746
38 1KEW NAD 2.78746
39 4D9M 0JO 2.78746
40 4QYS PLR 2.78746
41 4IP7 FBP 2.78746
42 4QYS PLP SEP 2.78746
43 5WPJ NDP 2.78746
44 1F28 UMP 2.78746
45 3JSX CC2 2.9304
46 3JSX FAD 2.9304
47 4ZOH FAD 2.97619
48 2PWY SAH 3.10078
49 1V97 FAD 3.13589
50 1SVM ATP 3.13589
51 3LU1 NAD 3.13589
52 4IY7 KOU 3.13589
53 3ZBQ GDP 3.13589
54 1Q23 FUA 3.19635
55 1H0H 2MD 3.27103
56 4P5E N6P 3.28947
57 3GDH SAH 3.3195
58 1D6S MET PLP 3.48432
59 1D6S PLP MET 3.48432
60 4D9C PMP 3.48432
61 3TKA SAM 3.48432
62 4ZAH T5K 3.48432
63 4FL3 ANP 3.48432
64 2GU8 796 3.48432
65 1OC2 NAD 3.48432
66 1OC2 TDX 3.48432
67 3HU3 AGS 3.48432
68 1WG8 SAM 3.50877
69 2WSB NAD 3.54331
70 5KVA SAM 3.59712
71 3X44 PUS 3.61446
72 2GJ5 VD3 3.7037
73 4ITU 1HS 3.71747
74 3LGS SAH 3.74532
75 3LGS ADE 3.74532
76 6C2Z P1T 3.83275
77 6DNT NAD 3.83275
78 1DL5 SAH 3.83275
79 2RKV COA 3.83275
80 2RKV ZBA 3.83275
81 1FIQ FAD 3.83275
82 2RGX AP5 3.8835
83 4KXL 6C6 3.94737
84 5UBG PRT 3.9823
85 2HF9 GSP 3.9823
86 4POO SAM 4
87 4IO2 GLU 4.03226
88 1Z83 AP5 4.08163
89 6A0S NDP 4.18118
90 6A0S HSE 4.18118
91 3QTP 2PG 4.18118
92 3NRR UMP 4.18118
93 3NRR D16 4.18118
94 1BXK NAD 4.18118
95 5OJI ISN 4.23077
96 5OJI NAP 4.23077
97 3NRZ FAD 4.26829
98 5UKL SIX 4.52962
99 1QHO MAL 4.52962
100 5X40 ACP 4.52962
101 3PVW QRX 4.52962
102 4ONC 40B 4.57746
103 1JG3 ADN 4.68085
104 1T57 FMN 4.85437
105 4BFW ZVW 4.87805
106 5NI5 8YB 4.87805
107 2AAZ UMP 4.87805
108 2WZF BGC 4.87805
109 3KC1 2T6 4.87805
110 3C3N FMN 4.87805
111 4WOP CTP 4.88889
112 1E5D FMN 4.97512
113 2BNE U5P 4.97925
114 4BLW SAH 5.19031
115 4BLW AMP 5.19031
116 4M37 SAH 5.22648
117 4ZRN NAD 5.22648
118 3KO8 NAD 5.22648
119 4ZRN UPG 5.22648
120 4M38 SAH 5.22648
121 4GLL NAD 5.22648
122 4WB7 ATP 5.22648
123 2H8H H8H 5.22648
124 6ESN BWE 5.24345
125 4RFM 3P6 5.26316
126 6AR9 3L4 5.51471
127 1P1C SAH 5.52764
128 3L4S NAD 5.57491
129 4B2D FBP 5.57491
130 4G9N NGA 5.59441
131 3K0T BGC 5.59441
132 1WWZ ACO 5.66038
133 1XX6 ADP 5.75916
134 1P19 IMP 5.88235
135 4LZB URA 5.88235
136 5THY SAH 5.92335
137 3PT9 SAH 5.92335
138 5G1N PAL 5.92335
139 4KCT FDP 5.92335
140 3LXN MI1 5.92335
141 2Q4W FAD 5.92335
142 1XCL SAH 5.95745
143 1P4A PCP 5.96491
144 2PVQ GSH 5.97015
145 2QQ0 TMP 5.97826
146 2QQ0 ADP 5.97826
147 2QQ0 ANP 5.97826
148 1N62 FAD 6.0241
149 1CS4 GSP 6.22222
150 1V7C HEY 6.27178
151 5G5G FAD 6.27178
152 5WS9 AMP 6.27178
153 1G3M A3P 6.27178
154 1G3M PCQ 6.27178
155 4LZJ 22H 6.27178
156 5HSA FAS 6.27178
157 1QO8 FAD 6.27178
158 5XGX DAS DLY 6.27178
159 1SVK ALF GDP 6.27178
160 3HVJ 705 6.33484
161 3WYF GTP 6.39269
162 1DQN IMU 6.52174
163 1QAN SAH 6.55738
164 1OFD AKG 6.62021
165 2HNK SAH 6.69456
166 5GP0 GPP 6.71141
167 2C5L GTP 6.83761
168 5BVE 4VG 6.92521
169 6APV 3L4 6.94444
170 3MB5 SAM 7.05882
171 1PZM 5GP 7.109
172 4FZV SAM 7.11297
173 1I9G SAM 7.14286
174 3LN9 FLC 7.19424
175 2P4Y C03 7.22022
176 4L9Z OXL 7.31707
177 5E72 SAM 7.31707
178 4PIO AVI 7.31707
179 3ZEI AWH 7.41935
180 5TCI MLI 7.6087
181 3DR4 G4M 7.66551
182 5DEY 59T 7.66551
183 4P83 U5P 7.69231
184 2OFW ADX 7.69231
185 4USI AKG 7.79221
186 1T3Q FAD 7.98611
187 5ERG SAM 8.01394
188 4PPF FLC 8.01394
189 3ICR FAD 8.01394
190 3ICS FAD 8.01394
191 2DPM SAM 8.09859
192 2B4B COA 8.18713
193 2B4D COA 8.18713
194 1IZC PYR 8.36237
195 5Y6Q FAD 8.64198
196 3VC3 C6P 8.7108
197 1FFU FAD 8.7108
198 5AE2 FYC 8.7108
199 5AE2 FAD 8.7108
200 5NW7 9C2 8.7108
201 1QK3 5GP 9.01288
202 3PC3 P1T 9.05923
203 3CV2 OXL 9.05923
204 3O3R NAP 9.05923
205 4EIL UMP 9.05923
206 3A4T SFG 9.12409
207 4P86 5GP 9.28962
208 1I1D COA 9.31677
209 1I1D 16G 9.31677
210 2JKY 5GP 9.38967
211 3GRU AMP 9.40767
212 1UJ2 C5P 9.52381
213 1UJ2 ADP 9.52381
214 1B0U ATP 9.54198
215 1E2K TMC 9.7561
216 1QSM ACO 9.86842
217 5VJN ADE 10.1604
218 5VJN IR8 10.1604
219 3OZG SSI 10.4
220 3GJX GTP 10.453
221 1J0D 5PA 10.8014
222 4OOP DUP 10.8434
223 1L3I SAH 10.9375
224 1BZY IMU 11.0599
225 2JBH 5GP 11.1111
226 1XTT U5P 11.1111
227 6FCH PRP 11.236
228 2B3D FAD 11.2745
229 5W10 CMP 11.7949
230 4RHY 3QG 11.9403
231 3SSO SAH 12.1951
232 3HRD FAD 12.5436
233 5KF9 ACO 12.5436
234 1MZV AMP 12.766
235 2BES RES 12.7907
236 3OFK SAH 12.963
237 1HGX 5GP 13.1148
238 1PVN MZP 13.5889
239 1RM6 PCD 13.5889
240 3ACC 5GP 14.3646
241 1L1Q 9DA 14.5161
242 5ULP KB1 14.5522
243 5H68 AGS 14.6341
244 1L5Y BEF 15.4839
245 3QF7 ANP 16
246 1QB7 ADE 16.1017
247 2PS1 PRP 16.3717
248 2PS1 ORO 16.3717
249 4YMH SAH 16.6667
250 4CRZ ACO 16.7883
251 4YGM URA 17.3077
252 1LH0 PRP 17.8404
253 1LH0 ORO 17.8404
254 1XXA ARG 17.9487
255 1O5O U5P 18.552
256 4BQS ADP 19.3182
257 4BQS K2Q 19.3182
258 1RDL MMA 20.354
259 1UPF URF 21.4286
260 2FXV 5GP 21.6495
261 3WR7 COA 22.3529
262 4OI4 ATP 25.2174
263 1N07 FMN 27.6074
264 4JLS 3ZE 27.6316
Pocket No.: 4; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 3mbi.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3D72 FAD 3.3557
2 5L3S GNP 9.7561
3 3SM2 478 13.6364
Pocket No.: 5; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 5) in the query (biounit: 3mbi.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4M1U A2G MBG 3.83275
2 5G3L SIA 12.1212
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