Receptor
PDB id Resolution Class Description Source Keywords
1E4V 1.85 Å EC: 2.7.4.3 MUTANT G10V OF ADENYLATE KINASE FROM E. COLI, MODIFIED IN TH ESCHERICHIA COLI TRANSFERASE(PHOSPHOTRANSFERASE)
Ref.: CRYSTAL STRUCTURES OF TWO MUTANTS OF ADENYLATE KINA ESCHERICHIA COLI MODIFY THE GLY-LOOP PROTEINS: STRUCT.,FUNCT., V. 15 42 1993 GENET.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AP5 A:215;
B:215;
Valid;
Valid;
none;
none;
submit data
916.367 C20 H29 N10 O22 P5 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X8O 2.1 Å EC: 2.7.4.3 CRYSTAL STRUCTURE OF E. COLI ADENYLATE KINASE Y171W MUTANT I WITH INHIBITOR AP5A ESCHERICHIA COLI ADENYLATE KINASE Y171W AP5A PROTEIN DYNAMICS TRANSFERASE
Ref.: STRUCTURAL BASIS FOR CATALYTICALLY RESTRICTIVE DYNA HIGH-ENERGY ENZYME STATE. NAT COMMUN V. 6 7644 2015
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1E4Y - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 3HPR - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
3 1E4V - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
4 4X8L - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
5 1AKE - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
6 3HPQ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
7 1ANK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 4X8O Kd = 60 nM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1E4Y - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 3HPR - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
3 1E4V - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
4 4X8L - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
5 1AKE - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
6 3HPQ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
7 1ANK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 4X8O Kd = 60 nM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
50% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 1DVR - ATF C11 H16 F2 N5 O12 P3 c1nc(c2c(n....
3 3AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
4 2AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
5 1P3J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
6 2EU8 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
7 4MKF - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
8 1E4Y - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
9 3HPR - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
10 1E4V - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
11 4X8L - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 1AKE - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
13 3HPQ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
14 1ANK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 4X8O Kd = 60 nM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
16 5G40 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 5G3Z - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
18 5G41 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
19 2RGX - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
20 4UKD - UDP ADP BF2 n/a n/a
21 1QF9 - ALF Al F4 F[Al-](F)(....
22 2UKD - C5P C9 H14 N3 O8 P C1=CN(C(=O....
23 1S3G - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
24 3FB4 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
25 4MKG - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
26 4MKH - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
27 5G3Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1UKY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1UKZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
30 2BWJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
31 1ZIP - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
32 1ZIO - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
33 1ZIN - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
34 1Z83 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
35 4W5J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
36 4NU0 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
37 2CDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 2AK3 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AP5; Similar ligands found: 405
No: Ligand ECFP6 Tc MDL keys Tc
1 AP5 1 1
2 B4P 1 1
3 BA3 0.984615 1
4 5FA 0.942029 0.971831
5 AQP 0.942029 0.971831
6 ATP 0.927536 0.971831
7 A2D 0.924242 1
8 ADP 0.884058 0.971831
9 AGS 0.875 0.92
10 SAP 0.875 0.92
11 AN2 0.84507 0.958333
12 APR 0.835616 0.971831
13 AR6 0.835616 0.971831
14 M33 0.833333 0.958333
15 AD9 0.824324 0.945205
16 ACP 0.821918 0.945205
17 ANP 0.802632 0.945205
18 ACQ 0.802632 0.945205
19 AMP 0.797101 0.943662
20 A 0.797101 0.943662
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 50T 0.773333 0.931507
24 ABM 0.763889 0.917808
25 PRX 0.763158 0.893333
26 ATF 0.759494 0.932432
27 TAT 0.75641 0.932432
28 A22 0.753086 0.985915
29 25L 0.752941 0.985915
30 AMP MG 0.75 0.891892
31 AP2 0.743243 0.932432
32 A12 0.743243 0.932432
33 APC 0.74026 0.932432
34 SRA 0.736111 0.893333
35 ADQ 0.73494 0.972222
36 A1R 0.73494 0.907895
37 5AL 0.725 0.931507
38 G5P 0.722222 0.921053
39 OAD 0.717647 0.945205
40 ADP MG 0.714286 0.905405
41 AU1 0.714286 0.945205
42 G3A 0.711111 0.921053
43 SRP 0.707317 0.906667
44 BEF ADP 0.705128 0.881579
45 ADP BEF 0.705128 0.881579
46 8QN 0.702381 0.931507
47 3OD 0.701149 0.945205
48 GTA 0.695652 0.886076
49 4AD 0.694118 0.92
50 UP5 0.691489 0.945946
51 ADP PO3 0.6875 0.943662
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.907895
55 5SV 0.682353 0.848101
56 OOB 0.682353 0.958333
57 25A 0.682353 0.971831
58 BIS 0.681818 0.907895
59 ATP MG 0.679012 0.905405
60 AMO 0.674419 0.932432
61 PAJ 0.674419 0.884615
62 ITT 0.670886 0.916667
63 7D4 0.670886 0.88
64 MAP 0.670588 0.92
65 A4P 0.670103 0.843373
66 DLL 0.666667 0.958333
67 AHX 0.666667 0.896104
68 3UK 0.659091 0.945205
69 SON 0.658228 0.906667
70 T5A 0.656566 0.864198
71 ALF ADP 0.654762 0.87013
72 ADP ALF 0.654762 0.87013
73 WAQ 0.651685 0.883117
74 PR8 0.651685 0.85
75 LAD 0.651685 0.860759
76 GAP 0.650602 0.893333
77 AFH 0.648936 0.909091
78 VO4 ADP 0.647059 0.931507
79 ANP MG 0.647059 0.894737
80 ADP VO4 0.647059 0.931507
81 NB8 0.644444 0.896104
82 1ZZ 0.644444 0.839506
83 FYA 0.644444 0.931507
84 PTJ 0.644444 0.871795
85 ME8 0.644444 0.839506
86 TXA 0.644444 0.932432
87 2A5 0.634146 0.893333
88 9SN 0.630435 0.896104
89 48N 0.628866 0.896104
90 ATR 0.626506 0.943662
91 PAP 0.626506 0.957747
92 FA5 0.623656 0.932432
93 YAP 0.623656 0.92
94 RAB 0.623188 0.84507
95 XYA 0.623188 0.84507
96 ADN 0.623188 0.84507
97 TXD 0.622449 0.933333
98 NAX 0.622449 0.897436
99 DND 0.622449 0.958904
100 6V0 0.622449 0.921053
101 NXX 0.622449 0.958904
102 NAI 0.622449 0.933333
103 7D3 0.620253 0.88
104 XAH 0.617021 0.839506
105 OMR 0.616162 0.851852
106 TXE 0.616162 0.933333
107 AOC 0.615385 0.821918
108 DAL AMP 0.613636 0.905405
109 4UV 0.610526 0.92
110 AP0 0.61 0.921053
111 5N5 0.605634 0.819444
112 5AS 0.604938 0.77907
113 ADP BMA 0.604396 0.945205
114 A2R 0.602273 0.958333
115 CNA 0.601942 0.958904
116 4UU 0.597938 0.92
117 A4D 0.597222 0.819444
118 5CD 0.597222 0.805556
119 4TC 0.594059 0.921053
120 3AT 0.593023 0.944444
121 139 0.592233 0.897436
122 ADJ 0.592233 0.875
123 LAQ 0.585859 0.839506
124 A A 0.580645 0.944444
125 YLP 0.58 0.819277
126 COD 0.575472 0.811765
127 DTP 0.574713 0.88
128 JB6 0.574468 0.907895
129 4UW 0.574257 0.884615
130 EP4 0.573333 0.753247
131 A3P 0.573171 0.943662
132 ATP A A A 0.572917 0.957747
133 7D5 0.571429 0.853333
134 TYM 0.568627 0.932432
135 MYR AMP 0.568421 0.817073
136 6AD 0.568182 0.884615
137 M2T 0.565789 0.734177
138 DTA 0.565789 0.810811
139 3DH 0.564103 0.773333
140 G5A 0.563218 0.77907
141 UPA 0.563107 0.933333
142 YLB 0.563107 0.819277
143 YLC 0.563107 0.839506
144 NAD 0.560748 0.958333
145 TSB 0.56044 0.819277
146 MTA 0.558442 0.773333
147 3AM 0.556962 0.902778
148 SSA 0.555556 0.8
149 AHZ 0.554455 0.817073
150 A2P 0.554217 0.929577
151 NA7 0.553191 0.932432
152 IOT 0.552381 0.809524
153 TYR AMP 0.55102 0.906667
154 PPS 0.550562 0.85
155 A3D 0.550459 0.945205
156 7MD 0.55 0.8625
157 AR6 AR6 0.55 0.944444
158 VMS 0.549451 0.788235
159 54H 0.549451 0.788235
160 YLA 0.54717 0.819277
161 AMP DBH 0.545455 0.918919
162 TAD 0.544554 0.884615
163 A5A 0.544444 0.807229
164 AV2 0.544444 0.891892
165 6RE 0.54321 0.7375
166 AYB 0.542056 0.809524
167 7DT 0.54023 0.957747
168 DDS 0.539326 0.853333
169 AVV 0.537634 0.896104
170 52H 0.532609 0.77907
171 BTX 0.53211 0.819277
172 NSS 0.531915 0.8
173 NAE 0.530973 0.92
174 ZAS 0.530864 0.766234
175 A3N 0.53012 0.786667
176 J7C 0.53012 0.746835
177 IMO 0.53012 0.902778
178 DAT 0.528736 0.88
179 BT5 0.527273 0.809524
180 5CA 0.526882 0.8
181 53H 0.526882 0.77907
182 NAQ 0.526316 0.896104
183 ARU 0.526316 0.8375
184 EAD 0.525862 0.897436
185 RGT 0.525253 0.932432
186 2AM 0.525 0.916667
187 ARG AMP 0.524272 0.807229
188 LA8 ALF 3PG 0.52381 0.8375
189 AF3 ADP 3PG 0.52381 0.8375
190 ALF ADP 3PG 0.52381 0.8375
191 S4M 0.52381 0.666667
192 V3L 0.522222 0.944444
193 ZID 0.521739 0.945205
194 LPA AMP 0.519231 0.817073
195 7MC 0.518868 0.841463
196 DSH 0.518072 0.725
197 MAO 0.517647 0.759036
198 DSZ 0.515789 0.8
199 LSS 0.515789 0.761364
200 P5A 0.515464 0.744444
201 DZD 0.513514 0.909091
202 FB0 0.512397 0.784091
203 5X8 0.511364 0.763158
204 GP3 0.511111 0.921053
205 NVA LMS 0.510417 0.761364
206 YLY 0.508772 0.809524
207 M24 0.508772 0.873418
208 N0B 0.508621 0.841463
209 P1H 0.508333 0.875
210 5AD 0.506849 0.746479
211 OVE 0.506024 0.88
212 GJV 0.505882 0.728395
213 7DD 0.505747 0.957747
214 LEU LMS 0.505155 0.761364
215 NAJ PZO 0.504425 0.871795
216 GSU 0.5 0.77907
217 KAA 0.5 0.752809
218 128 0.5 0.776471
219 NEC 0.5 0.746667
220 NDE 0.495868 0.932432
221 NJP 0.495495 0.945946
222 NAD IBO 0.495495 0.894737
223 6C6 0.494505 0.857143
224 SFG 0.494382 0.75
225 FDA 0.491935 0.833333
226 0WD 0.491071 0.921053
227 4TA 0.491071 0.829268
228 YSA 0.490196 0.8
229 GTP 0.489362 0.894737
230 A7D 0.488636 0.776316
231 6FA 0.488 0.864198
232 NDC 0.487805 0.896104
233 A5D 0.483516 0.810811
234 SA8 0.483516 0.707317
235 MHZ 0.483146 0.697674
236 71V 0.482759 0.883117
237 A3G 0.482353 0.8
238 ODP 0.482143 0.909091
239 Y3J 0.480519 0.726027
240 SFD 0.480315 0.752688
241 FAS 0.480315 0.875
242 FAD 0.480315 0.875
243 7D7 0.48 0.743243
244 GGZ 0.479167 0.825
245 SAI 0.478261 0.734177
246 SAH 0.478261 0.74359
247 G A A A 0.477876 0.871795
248 NDP 0.477477 0.921053
249 NPW 0.477477 0.886076
250 PO4 PO4 A A A A PO4 0.474747 0.929577
251 NAJ PYZ 0.474576 0.873418
252 SMM 0.473684 0.686047
253 TXP 0.473214 0.921053
254 NZQ 0.473214 0.909091
255 6IA 0.473118 0.814815
256 SAM 0.473118 0.690476
257 AAT 0.468085 0.707317
258 EEM 0.468085 0.690476
259 7C5 0.466667 0.818182
260 PGS 0.466667 0.858974
261 FNK 0.465649 0.804598
262 62F 0.465649 0.886076
263 D5M 0.465116 0.853333
264 DA 0.465116 0.853333
265 N6P 0.464646 0.915493
266 GSP 0.463918 0.85
267 2SA 0.463158 0.906667
268 FAY 0.462121 0.886076
269 A3T 0.461538 0.821918
270 U A G G 0.46087 0.883117
271 A A A 0.46 0.905405
272 AAM 0.45977 0.943662
273 GEK 0.459184 0.7375
274 RFL 0.458647 0.843373
275 6G0 0.458333 0.860759
276 S7M 0.458333 0.690476
277 AMP NAD 0.458333 0.906667
278 4YB 0.457944 0.781609
279 AMZ 0.457831 0.890411
280 C2R 0.457831 0.878378
281 GDP 0.457447 0.894737
282 A3S 0.455556 0.810811
283 WSA 0.454545 0.809524
284 Z5A 0.454545 0.8
285 12D 0.453704 0.785714
286 XNP 0.452174 0.873418
287 AIR 0.45 0.875
288 62X 0.45 0.666667
289 ETB 0.449153 0.811765
290 DCA 0.449153 0.802326
291 MGP 0.447917 0.860759
292 NIA 0.447059 0.8
293 K15 0.445545 0.682353
294 A6D 0.445545 0.743902
295 PUA 0.445378 0.884615
296 6K6 0.444444 0.90411
297 V1N 0.443396 0.944444
298 0T1 0.441667 0.802326
299 COA 0.441667 0.802326
300 649 0.441441 0.764045
301 0UM 0.44 0.698795
302 P5F 0.438849 0.823529
303 G1R 0.438776 0.883117
304 GCP 0.438776 0.871795
305 GNH 0.4375 0.883117
306 3AD 0.4375 0.805556
307 101 0.436782 0.853333
308 NAP 0.434426 0.945205
309 GNP 0.434343 0.871795
310 APU 0.433628 0.894737
311 A U 0.433628 0.894737
312 KB1 0.432692 0.719512
313 F2N 0.432624 0.813953
314 7RP 0.431818 0.901408
315 DG1 0.430894 0.921053
316 TAP 0.430894 0.907895
317 AMX 0.430894 0.811765
318 30N 0.430894 0.734043
319 COS 0.430894 0.784091
320 1DG 0.430894 0.921053
321 CAO 0.430894 0.775281
322 2VA 0.430108 0.8
323 S8M 0.43 0.759494
324 GTG 0.429907 0.886076
325 FA9 0.429577 0.864198
326 MGO 0.428571 0.8375
327 SCO 0.427419 0.802326
328 CMX 0.427419 0.802326
329 NA0 0.427419 0.932432
330 NHD 0.42735 0.931507
331 AS 0.426966 0.810127
332 7RA 0.426966 0.930556
333 ACK 0.425287 0.861111
334 QQY 0.425287 0.815789
335 FAM 0.424 0.784091
336 FCX 0.424 0.775281
337 ACO 0.424 0.775281
338 CC5 0.423077 0.816901
339 SXZ 0.423077 0.710843
340 8BR 0.422222 0.881579
341 ZDA 0.421053 0.84
342 IDP 0.421053 0.893333
343 HAX 0.420635 0.784091
344 GDD 0.420561 0.884615
345 GKE 0.420561 0.884615
346 GDC 0.420561 0.884615
347 PLP AAD 0.420168 0.761364
348 J7V 0.419355 0.833333
349 TM1 0.419048 0.77381
350 2MC 0.418605 0.75
351 NAD BBN 0.41791 0.864198
352 CMP 0.417582 0.928571
353 2BA 0.417582 0.942857
354 FYN 0.417323 0.802326
355 3KK 0.417323 0.784091
356 SO8 0.416667 0.789474
357 SLU 0.416667 0.790698
358 NMN AMP PO4 0.415254 0.894737
359 26A 0.414634 0.763158
360 SOP 0.414062 0.784091
361 COK 0.414062 0.784091
362 MCD 0.414062 0.784091
363 OXK 0.414062 0.784091
364 CA6 0.414062 0.71134
365 QQX 0.413793 0.805195
366 G2R 0.413462 0.860759
367 NAD CJ3 0.411765 0.833333
368 FAI 0.411111 0.890411
369 RMB 0.411111 0.847222
370 1VU 0.410853 0.775281
371 CMC 0.410853 0.784091
372 CO6 0.410853 0.784091
373 NMX 0.410853 0.741935
374 ANZ 0.409091 0.8
375 SCA 0.409091 0.784091
376 RP1 0.409091 0.866667
377 SP1 0.409091 0.866667
378 1RB 0.409091 0.859155
379 NFD 0.408333 0.907895
380 SCD 0.407692 0.802326
381 CAJ 0.407692 0.784091
382 NVA 2AD 0.40625 0.74359
383 U G A 0.406015 0.839506
384 D3Y 0.405941 0.813333
385 KH3 0.405405 0.674419
386 N01 0.404959 0.931507
387 A1S 0.40458 0.784091
388 MLC 0.40458 0.784091
389 3HC 0.40458 0.793103
390 IVC 0.40458 0.793103
391 BCO 0.40458 0.784091
392 1HE 0.40458 0.766667
393 5GP 0.404255 0.881579
394 G 0.404255 0.881579
395 G2Q 0.403846 0.860759
396 3L1 0.402439 0.773333
397 3D1 0.402439 0.773333
398 VRT 0.402062 0.769231
399 COO 0.401515 0.784091
400 YE1 0.401515 0.813953
401 MCA 0.401515 0.775281
402 CAA 0.401515 0.793103
403 GMV 0.4 0.871795
404 3NZ 0.4 0.805195
405 CNV FAD 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X8O; Ligand: AP5; Similar sites found: 112
This union binding pocket(no: 1) in the query (biounit: 4x8o.bio2) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BES RES 0.01361 0.42987 None
2 3LRE ADP 0.0000305 0.59842 0.934579
3 4Q1A 2XZ 0.0007477 0.4576 1.40187
4 4Q1A UDP 0.0007477 0.4576 1.40187
5 3WJO IPE 0.04746 0.4159 1.86916
6 1OE0 TTP 0.00004344 0.40016 1.86916
7 4ZBY URA 0.04122 0.41351 2.57732
8 2Y8E GNP 0.003485 0.42779 2.7933
9 4YDS ATP 0.0003505 0.53008 2.80374
10 4DKX GDP 0.001067 0.49192 2.80374
11 1G3Q ADP 0.001142 0.48516 2.80374
12 2GWH A3P 0.01319 0.41995 2.80374
13 3DXY SAM 0.02703 0.41444 2.80374
14 1YQC GLV 0.02508 0.40135 2.94118
15 4CJN QNZ 0.03806 0.41916 3.27103
16 4ISS TAR 0.04687 0.41523 3.27103
17 4U98 ACP 0.03724 0.4009 3.27103
18 1LNX URI 0.0135 0.44448 3.7037
19 3B5J 12D 0.00007476 0.56699 3.73832
20 2XG5 EC2 0.01687 0.43744 3.73832
21 2XG5 EC5 0.01687 0.43744 3.73832
22 2OFW ADX 0.0001336 0.41973 3.84615
23 3REF GDP 0.003435 0.43746 4.12371
24 3EZ2 ADP 0.0002919 0.52773 4.20561
25 4IEE AGS 0.0006258 0.50995 4.20561
26 1YTM ATP 0.0004493 0.48177 4.20561
27 1G4U AF3 0.01309 0.44579 4.20561
28 1G4U GDP 0.003892 0.44187 4.20561
29 5IRR GSP 0.003114 0.4394 4.20561
30 3TMK T5A 0.000003441 0.4358 4.20561
31 3T34 GDP 0.005713 0.42432 4.20561
32 3U6B GDP 0.0006146 0.51037 4.31472
33 2CJU PHX 0.03239 0.41528 4.42478
34 4QC6 30N 0.01691 0.4032 4.46927
35 2PEZ GGZ 0.0001293 0.40193 4.46927
36 2PEZ DAT 0.0001293 0.40193 4.46927
37 1W4R TTP 0.004469 0.41762 4.61538
38 1JI0 ATP 0.000004825 0.63247 4.6729
39 3GJ0 GDP 0.0005809 0.50577 4.6729
40 4AG5 ADP 0.0000323 0.59199 5.14019
41 1CS4 GSP 0.003647 0.4213 5.14019
42 3QBT GNP 0.002362 0.43507 5.17241
43 4LHW GNP 0.006635 0.41573 5.17241
44 2X77 GDP 0.0006956 0.49621 5.29101
45 3MJH GTP 0.004259 0.42404 5.35714
46 2QG6 NMN 0.00003786 0.40514 5.52764
47 1GP2 GDP 0.0003073 0.48097 5.60748
48 5VGR GDP 0.001573 0.46452 5.60748
49 3Q9L ATP 0.003858 0.44574 5.60748
50 2VOS ADP 0.007658 0.4216 5.60748
51 5H68 AGS 0.003204 0.41578 5.60748
52 4YS0 ADP 0.02229 0.40889 5.60748
53 4V0K GDP 0.007043 0.41738 5.91716
54 4PPF FLC 0.00003375 0.60165 6.07477
55 2YOH WMJ 0.00001586 0.49957 6.19048
56 1HE1 GDP 0.004364 0.43605 6.25
57 5TAR GDP 0.0004217 0.49687 6.48649
58 1SQ5 ADP 0.00006722 0.54824 6.54206
59 5GOE GDP 0.001209 0.47901 6.54206
60 1CM0 COA 0.02118 0.41643 6.54762
61 5H56 TYD 0.0000006221 0.45872 6.66667
62 5H56 ADP 0.0000006221 0.45872 6.66667
63 5UWQ GNP 0.003373 0.4255 6.99301
64 5UWJ GNP 0.003403 0.42534 6.99301
65 1G7S GDP 0.001925 0.47354 7.00935
66 3BFX A3P 0.009658 0.42319 7.00935
67 1ZUI SKM 0.0001559 0.40918 7.14286
68 1JJ7 ADP 0.000002957 0.66465 7.47664
69 4BFW ZVW 0.001116 0.41419 7.47664
70 4OHY ANP 0.01035 0.41001 7.47664
71 1Z2A GDP 0.002821 0.43802 7.7381
72 5JCP GDP ALF 0.001876 0.46082 7.94393
73 1FQK GDP 0.002787 0.43825 8.16327
74 1FQK ALF 0.042 0.41812 8.16327
75 5E95 GDP 0.0005714 0.48568 8.24742
76 1E2K TMC 0.000145 0.44539 8.41121
77 1G7C 5GP 0.04499 0.40622 8.51064
78 2F9L GDP 0.002853 0.43779 8.54271
79 1YZN GNP 0.004788 0.41905 8.64865
80 4R43 GDP 0.009545 0.44193 8.8785
81 2BCG GDP 0.004126 0.44067 9.34579
82 5JCZ GDP 0.00195 0.45605 9.49721
83 4BQS ADP 0.00004581 0.42572 9.65909
84 4BQS K2Q 0.00004581 0.42572 9.65909
85 5FTB ANP 0.0008663 0.48628 9.81308
86 2DPY ADP 0.005771 0.46308 9.81308
87 5FHD ADP ALF 0.001411 0.45876 9.81308
88 2OBM ADP 0.01127 0.45023 9.81308
89 3WY9 GDP 0.0008504 0.5028 10.2804
90 4AVB ACO 0.009547 0.4089 10.2804
91 1KNY KAN 0.04411 0.40812 10.2804
92 1J2J GTP 0.0002972 0.48162 10.8434
93 1S9D GDP 0.0003157 0.5138 10.9756
94 1TX4 ALF GDP 0.008852 0.41581 11.2994
95 2A5J GDP 0.0005904 0.49463 12.0419
96 1WA5 GTP 0.0007913 0.43988 12.1495
97 2GJ8 ALF GDP 0.003937 0.42266 12.2093
98 1QHH ATP 0.03151 0.41097 13.0178
99 1GUA GNP 0.003947 0.42261 13.5802
100 5L3R GCP 0.00248 0.43727 15.4206
101 5KDO GDP 0.000161 0.5024 16.2162
102 4UP4 NDG 0.03763 0.42238 16.3551
103 4UP4 NAG 0.03763 0.42238 16.3551
104 5BQ5 ADP BEF 0.0005267 0.49712 16.4021
105 2CBZ ATP 0.000003792 0.66201 16.8224
106 1NN5 2DT 0.001852 0.41146 17.757
107 1NN5 ANP 0.001852 0.41146 17.757
108 1B7T ADP 0.00185 0.46974 18.5897
109 4M9Q GNP 0.001456 0.45441 19.1589
110 5DI3 GNP 0.002055 0.44761 19.1589
111 4QOS ADP 0.001211 0.47898 20.0935
112 2OM2 GDP 0.0002151 0.49658 33.3333
Pocket No.: 2; Query (leader) PDB : 4X8O; Ligand: AP5; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 4x8o.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3K7S R52 0.03638 0.41033 None
2 3QVV A3P 0.002597 0.40883 3.27103
3 3VYW SAM 0.01795 0.40383 3.73832
4 4FFG 0U8 0.017 0.43366 5.14019
5 4R08 UCG 0.03011 0.40169 5.14019
6 1M7G ADX 0.001719 0.40147 5.21327
7 5JJR SAH 0.02693 0.40115 5.60748
8 1P72 ADP 0.000161 0.40714 6.07477
9 1HE1 AF3 0.006237 0.46029 6.25
10 1UPR 4IP 0.02582 0.43492 8.94309
11 4YMJ 4EJ 0.0293 0.42439 9.81308
12 2BIF SIN 0.0009852 0.4042 11.6822
13 2BIF ANP 0.0001896 0.40278 11.6822
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