Receptor
PDB id Resolution Class Description Source Keywords
3ORQ 2.23 Å EC: 6.3.4.18 CRYSTAL STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE SYNTHETASE FRO STAPHYLOCOCCUS AUREUS COMPLEXED WITH ADP STAPHYLOCOCCUS AUREUS SUBSP. AUREUS ATP-GRASP SUPERFAMILY LIGASEBIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE FROM STAPHYLOCOCCUS AUREUS. ACTA CRYSTALLOGR.,SECT.D V. 67 707 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:376;
B:375;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
GOL B:377;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:375;
B:376;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
POP A:377;
B:378;
Invalid;
Invalid;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ORQ 2.23 Å EC: 6.3.4.18 CRYSTAL STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE SYNTHETASE FRO STAPHYLOCOCCUS AUREUS COMPLEXED WITH ADP STAPHYLOCOCCUS AUREUS SUBSP. AUREUS ATP-GRASP SUPERFAMILY LIGASEBIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE FROM STAPHYLOCOCCUS AUREUS. ACTA CRYSTALLOGR.,SECT.D V. 67 707 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ORQ - 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 1 families.
1 3ORQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4DLK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3V4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3ORQ - 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 : 3ORQ; Ligand: ADP; Similar sites found: 288
This union binding pocket(no: 1) in the query (biounit: 3orq.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LXM ADP 0.004709 0.41688 None
2 2XK9 XK9 0.002991 0.43399 0.931677
3 1VJY 460 0.006545 0.41506 0.990099
4 5HX8 66P 0.0006214 0.41626 0.993378
5 5I35 ANP 0.0009326 0.44864 1.06101
6 4AXD ANP 0.005711 0.42359 1.06101
7 4Y8D 49J 0.006723 0.40624 1.17647
8 2PUL ACP 0.0002112 0.44903 1.32626
9 1Q6D GLC GLC 0.01546 0.40391 1.32626
10 4E1Z 0MX 0.0007956 0.42787 1.37457
11 4OH4 ANP 0.001124 0.42436 1.5015
12 5LPZ ADP 0.001041 0.44204 1.50602
13 2F2U M77 0.004549 0.43032 1.59151
14 4X7Q 3YR 0.003841 0.417 1.60256
15 3GC8 B45 0.003946 0.41113 1.62162
16 5JFS 6K0 0.009178 0.4163 1.62338
17 5MJA 7O3 0.002426 0.40009 1.63934
18 4YMJ 4EJ 0.0002553 0.50674 1.64474
19 2XVD AS6 0.002372 0.43047 1.65563
20 4KS7 X4Z 0.0002415 0.46484 1.71233
21 2Y6O 1N1 0.003258 0.41468 1.71821
22 3E8N ATP 0.001846 0.45236 1.75953
23 4F4P 0SB 0.01319 0.42232 1.8315
24 5HVJ ANP 0.0005058 0.49071 1.90476
25 1OUK 084 0.008197 0.45175 1.91257
26 4IX4 ADP 0.0007067 0.4409 2
27 4JGT PYR 0.02821 0.40559 2.00669
28 3PLS ANP 0.0005925 0.43128 2.01342
29 4O4F ATP 0.0008746 0.41532 2.01613
30 4O4F IHP 0.0009575 0.40905 2.01613
31 5X8I SQZ 0.001738 0.43222 2.02312
32 1V0O INR 0.003937 0.40237 2.08333
33 4GYI ADP 0.000615 0.46694 2.12202
34 4CYI ATP 0.002363 0.41872 2.12202
35 4YZC STU 0.007798 0.41635 2.12202
36 4NM5 ADP 0.001589 0.41499 2.12202
37 5IQD RIO 0.01023 0.41209 2.12202
38 5IQD GNP 0.009684 0.41209 2.12202
39 5T8O 76Z 0.00355 0.41123 2.12202
40 4N70 2HX 0.001232 0.46348 2.13415
41 4CLI 5P8 0.005549 0.42931 2.14067
42 3ZRM ZRM 0.0006354 0.43337 2.15633
43 2QLU ADE 0.003839 0.43975 2.2293
44 3CY2 MB9 0.001212 0.42001 2.2293
45 1SDW IYT 0.00923 0.41125 2.2293
46 3F7Z 34O 0.002034 0.41427 2.28571
47 1K3A ACP 0.001508 0.40655 2.34114
48 3HAV ATP 0.0001362 0.40322 2.34114
49 4DFU QUE 0.002945 0.44989 2.38727
50 2YNE YNE 0.01948 0.42105 2.38727
51 2YNE NHW 0.01948 0.42105 2.38727
52 4L9I 8PR 0.004584 0.41741 2.38727
53 5LXC 7AA 0.001041 0.41741 2.38727
54 3VPD ANP 0.0000001666 0.59725 2.4911
55 4FG8 ATP 0.002427 0.41823 2.53968
56 4ZS4 ATP 0.0003218 0.45984 2.60586
57 4L3L 5FI 0.0002927 0.47199 2.63158
58 1EHI ADP 0.000001585 0.54603 2.65252
59 3X01 AMP 0.0002665 0.50547 2.65252
60 2WQN ADP 0.001377 0.45039 2.65252
61 2X4Z X4Z 0.001345 0.44833 2.65252
62 4JDI ANP 0.002069 0.42116 2.65252
63 1RM0 D6P 0.01313 0.41797 2.65252
64 5DXT 5H5 0.003261 0.40943 2.65252
65 2XMY CDK 0.007853 0.43655 2.68456
66 5W4W 9WG 0.004282 0.42195 2.71903
67 4KBA 1QM 0.0193 0.40377 2.71903
68 3LXK MI1 0.001102 0.44352 2.75229
69 5USZ SKE 0.0006751 0.41 2.76817
70 4YLL 4E3 0.001022 0.43803 2.77008
71 1GSA ADP 0.0000005518 0.57784 2.8481
72 4EN4 GT0 0.01768 0.40226 2.88462
73 4EN4 ATP 0.01768 0.40226 2.88462
74 4EN4 GT1 0.01768 0.40226 2.88462
75 3PDT ADP 0.00136 0.41061 2.90909
76 5MW8 ATP 0.000728 0.44433 2.91777
77 1UNH IXM 0.002348 0.40116 2.91777
78 4AUA 4AU 0.002864 0.40184 2.9316
79 5HES 032 0.00788 0.40001 2.9316
80 5HCY 60D 0.004373 0.43409 3.02115
81 5UIU 8CG 0.001006 0.44836 3.09598
82 4EUU BX7 0.00146 0.43658 3.1348
83 5LI9 ACP 0.0006506 0.44663 3.14286
84 3LXN MI1 0.0006928 0.44126 3.14465
85 2WA4 069 0.009667 0.41029 3.15186
86 4C2V YJA 0.01212 0.40062 3.15789
87 4BKJ STI 0.003414 0.41895 3.1746
88 1M0W ANP 0.000358 0.43545 3.18302
89 4WNK 453 0.006156 0.41363 3.18302
90 3DGB MUC 0.01195 0.40592 3.18302
91 4C2W ANP 0.001628 0.40459 3.22581
92 3PE2 E1B 0.000814 0.46983 3.2641
93 1OBD ATP 0.0007731 0.41777 3.26797
94 4GJ3 0XP 0.003762 0.42445 3.31126
95 2VN9 GVD 0.0009242 0.40224 3.32226
96 3SXS PP2 0.005165 0.40433 3.35821
97 5LI1 ANP 0.002458 0.41989 3.38983
98 5EOB 5QQ 0.00504 0.43919 3.44828
99 4XLI 1N1 0.002131 0.43244 3.44828
100 3SXF BK5 0.00352 0.42959 3.44828
101 4E93 GUI 0.003215 0.42881 3.44828
102 2V7O DRN 0.0002057 0.42344 3.44828
103 3IGO ANP 0.002062 0.41653 3.44828
104 3DLS ADP 0.001899 0.40917 3.44828
105 4CC6 L5Y 0.0001712 0.50594 3.45912
106 4R78 AMP 0.00039 0.48817 3.55987
107 5GZ9 ANP 0.003235 0.4166 3.60656
108 3VHE 42Q 0.008808 0.40675 3.62117
109 4XH0 ADP 0.003556 0.44729 3.71353
110 3V8S 0HD 0.0003747 0.43911 3.71353
111 4I6H 1C8 0.002312 0.42674 3.71353
112 2R5T ANP 0.001923 0.42443 3.71353
113 4UAL 3FV 0.001925 0.41693 3.71353
114 4CQE CQE 0.003669 0.41248 3.71353
115 4JR7 GNP 0.0007746 0.43031 3.74332
116 3W68 4PT 0.0187 0.4092 3.7594
117 4U0I 0LI 0.01298 0.40056 3.80952
118 5KO1 6UY 0.001484 0.43954 3.88693
119 2OFV 242 0.004343 0.42669 3.97112
120 5MY8 RXZ 0.002146 0.42768 3.97878
121 2RIO ADP 0.002773 0.40387 3.97878
122 3C0G 3AM 0.001768 0.44525 3.9886
123 2ZV2 609 0.00854 0.41703 4.02685
124 4AU8 Z3R 0.001759 0.45034 4.05405
125 2HK5 1BM 0.005871 0.40197 4.07407
126 5C03 AGS 0.001849 0.43103 4.09357
127 4BCN T9N 0.003238 0.43281 4.19847
128 4BCM T7Z 0.0008181 0.42539 4.19847
129 4QTB 38Z 0.0008103 0.45095 4.24403
130 3OFM 4B0 0.0002518 0.43478 4.24403
131 3VPC ADP 0.0000007442 0.5696 4.25532
132 3VPB ADP 0.00000007679 0.5661 4.25532
133 5TO8 7FM 0.004751 0.42831 4.25532
134 3RE4 TO1 0.002502 0.40813 4.26357
135 3SLS ANP 0.001877 0.42488 4.27632
136 1IA9 ANP 0.00006972 0.48852 4.28571
137 4A4X JUP 0.0003463 0.46375 4.30108
138 5EFQ ADP 0.001516 0.41809 4.32277
139 4XYM A12 0.00008076 0.47531 4.34783
140 5DMZ ADP 0.006771 0.4061 4.38356
141 4WOV 3SM 0.005062 0.42362 4.4164
142 4ZGP ADP 0.0002161 0.44668 4.43686
143 2PVF ACP 0.0005602 0.4312 4.49102
144 2AQX ATP 0.005152 0.40619 4.49827
145 3TII ANP 0.000003782 0.49635 4.50928
146 4UWH JXM 0.0005186 0.46515 4.50928
147 3KRL KRL 0.005788 0.40404 4.50928
148 2B9I ADP 0.002466 0.4255 4.53258
149 2B9H ADP 0.002025 0.41817 4.53258
150 2B9F ADP 0.001976 0.415 4.53258
151 2B9J ADP 0.001798 0.41278 4.53258
152 4NST ADP 0.002155 0.41187 4.5584
153 1TQP ATP 0.004513 0.41208 4.60993
154 4H3Q ANP 0.0008407 0.44166 4.69613
155 4H3P ANP 0.000534 0.43798 4.69613
156 4OCJ NDG 0.001522 0.44963 4.77454
157 4OCV ANP 0.0004261 0.44619 4.77454
158 3UDZ ADP 0.001608 0.42138 4.77454
159 3Q9T FAY 0.0207 0.40009 4.77454
160 3RI1 3RH 0.0004178 0.4602 4.79233
161 4XV1 904 0.0009067 0.45465 4.79452
162 5UOX 8GY 0.00236 0.41315 4.79705
163 5UR1 YY9 0.006898 0.42398 4.82315
164 4F9C 0SX 0.001431 0.4158 4.86111
165 1U5R ATP 0.001468 0.41552 4.88506
166 3ALN ANP 0.004092 0.40862 4.89297
167 4K33 ACP 0.001677 0.42094 4.92308
168 3MVH WFE 0.002126 0.43402 4.97076
169 3DNT ATP 0.003876 0.41493 5.03979
170 5L8L ADP 0.003286 0.43718 5.12821
171 5VCV 1N1 0.002428 0.40263 5.14469
172 3DGY 2GP 0.01464 0.41674 5.15464
173 3UIM ANP 0.002903 0.40726 5.21472
174 1XJD STU 0.002385 0.42226 5.21739
175 3KMW ATP 0.0007566 0.42491 5.42636
176 5LVP ATP 0.0009689 0.41459 5.46624
177 1RE8 BD2 0.002418 0.44793 5.57029
178 4WB6 ATP 0.00325 0.42146 5.57029
179 3G5D 1N1 0.004369 0.44292 5.59441
180 4Y0X ADP 0.00006238 0.46114 5.6
181 5IDB MAN 0.01652 0.42521 5.6338
182 5IDB BMA 0.01652 0.42521 5.6338
183 4BHN BH9 0.003729 0.41032 5.68862
184 5N87 N66 0.004929 0.42422 5.7508
185 2PYW ADP 0.000207 0.46345 5.83554
186 2WU6 DKI 0.000532 0.45016 5.83554
187 3AKK ADP 0.0001754 0.46146 5.84615
188 1Q8Y ADP 0.004133 0.40843 5.89812
189 4WNP 3RJ 0.003059 0.43398 5.92335
190 3TXO 07U 0.002502 0.40257 5.94901
191 1W2D ADP 0.0006214 0.41644 6.03774
192 1W2D 4IP 0.00502 0.41616 6.03774
193 2IF8 ADP 0.0006554 0.40219 6.06061
194 4M69 ANP 0.002766 0.41582 6.1008
195 4CFU 2WC 0.003705 0.4257 6.10687
196 2Z7R STU 0.0005297 0.4402 6.23053
197 5C4L 4XR 0.002658 0.43114 6.23053
198 5C4L SIS 0.008961 0.40772 6.23053
199 2GU8 796 0.002097 0.458 6.23145
200 4IZY 1J2 0.0006726 0.44181 6.23306
201 4USF 6UI 0.002335 0.42442 6.25
202 1ZY5 ANP 0.0004373 0.4372 6.27063
203 4U98 ACP 0.00000287 0.56198 6.36605
204 5BVE 4VG 0.008984 0.43171 6.36605
205 5DA3 58V 0.006044 0.42433 6.41509
206 1YQC GLV 0.001739 0.42633 6.47059
207 5TDF ADP 0.00006 0.48619 6.48148
208 4NW6 2NS 0.003672 0.42624 6.50155
209 3W0O ADP 0.004739 0.41865 6.59026
210 2R7K AMZ 0.0002872 0.47072 6.6482
211 3ORK AGS 0.004534 0.41361 6.75241
212 2IO8 ADP 0.000003081 0.54831 6.89655
213 5VC5 96M 0.00146 0.43819 6.92042
214 5U6C 7YS 0.003009 0.40936 6.98413
215 2QCS ANP 0.002637 0.42541 7.2165
216 4OTH DRN 0.001029 0.42872 7.33138
217 5FBN 5WF 0.006417 0.41668 7.38007
218 3KN5 ANP 0.001929 0.40335 7.38462
219 1Z2P ACP 0.000007335 0.43088 7.40741
220 1Z2P I3S 0.000007335 0.43088 7.40741
221 2HGS ADP 0.00005471 0.49243 7.42706
222 3GC0 AMP 0.001589 0.40425 7.59878
223 2VZ6 FEF 0.01026 0.40907 7.66773
224 4LRJ ANP 0.001874 0.40881 7.69231
225 5A6N U7E 0.0004343 0.44545 7.77385
226 5W2I ADP 0.003866 0.41498 7.7821
227 5W2I I3P 0.003866 0.41498 7.7821
228 5G1X ADP 0.003734 0.42144 7.93651
229 4ANW O92 0.0007997 0.45568 7.95756
230 4UX9 ANP 0.0006759 0.44171 7.96703
231 2A19 ANP 0.003637 0.43504 8
232 5FI4 5XV 0.006642 0.40484 8.04954
233 2F57 23D 0.001694 0.40854 8.20189
234 2YW2 ATP 0.00000565 0.52958 8.22281
235 4O1P ANP 0.002963 0.40665 8.22281
236 4BTK DTQ 0.002491 0.4113 8.30861
237 2OFD NGA 0.02354 0.40652 8.4507
238 2PZI AXX 0.0005598 0.46887 8.75332
239 5AWM ANP 0.004799 0.42919 8.75332
240 5M06 ADP 0.001308 0.4466 9.05797
241 3FHI ANP 0.003329 0.42101 9.09091
242 4Z2S NAG 0.02271 0.40648 9.15493
243 4Z2S NDG 0.02271 0.40648 9.15493
244 2HY0 306 0.007827 0.41464 9.31677
245 2CSN CKI 0.003792 0.41854 9.42761
246 4BFM ANP 0.00108 0.43311 9.58084
247 3WVR AMP 0.00002622 0.47676 9.81432
248 5IH9 6BF 0.003557 0.4306 9.85075
249 3IDB ANP 0.003524 0.41501 9.93789
250 3I0O ADP 0.00003476 0.45912 10.0295
251 3TKI S25 0.004177 0.44222 10.2167
252 4Q5H ANP 0.001541 0.43452 10.5263
253 5K2M ADP 0.00000001273 0.65086 11.3208
254 4MV1 ADP 0.00001473 0.44231 11.3248
255 3DAK ANP 0.0011 0.41548 11.3793
256 2YAB AMP 0.005376 0.4009 11.9114
257 2QK4 ATP 0.0003954 0.4118 11.9363
258 4AZW ATP 0.001931 0.42242 12.7321
259 1AUX AGS 0.000000009894 0.62778 13.1833
260 1I7L ATP 0.00000003258 0.6333 13.2686
261 5LXT ACP 0.000002433 0.52589 13.5279
262 5C1P DAL DAL 0.00002723 0.50971 14.7059
263 5C1P ADP 0.000002806 0.50585 14.7059
264 1PK8 ATP 0.00000002394 0.64187 14.9289
265 3VOT ADP 0.000006468 0.48478 15.5294
266 4WW7 AMP 0.0009499 0.43747 15.7088
267 2YAK OSV 0.0006583 0.45647 15.7895
268 5HQ0 LZ9 0.001337 0.42918 17.2161
269 1T36 ADP 0.000003608 0.55205 17.2414
270 2V58 LZJ 0.00000008445 0.65261 18.0401
271 5VZ0 ADP 0.00000002672 0.60102 19.6286
272 3WO0 ALA 0.0000246 0.53075 19.8939
273 3WO0 ADP 0.007228 0.44668 19.8939
274 2QF7 AGS 0.00005949 0.49889 21.2202
275 2Q7D ANP 0.000005096 0.49001 21.3873
276 2VQD AP2 0.0000000138 0.64002 22.2812
277 4ME6 ADP 0.0000007785 0.48681 22.5464
278 2R85 AMP 0.004047 0.42304 22.7545
279 2VPQ ANP 0.000000002064 0.68168 24.1379
280 1E4E ADP 0.00006183 0.4813 28.5714
281 1IOW PHY 0.000007791 0.54853 31.6993
282 1IOW ADP 0.000007791 0.44459 31.6993
283 4LOO SB4 0.002327 0.40999 34.4828
284 3ETH ATP 0.000000000002145 0.80527 43.2361
285 1KJ8 ATP 0.00000001972 0.5046 43.2361
286 1KJ8 GAR 0.0000000218 0.49718 43.2361
287 3K5I ADP 0.0000000008952 0.69025 49.3369
288 3K5I AIR 0.00000001624 0.53757 49.3369
Pocket No.: 2; Query (leader) PDB : 3ORQ; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3orq.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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