Receptor
PDB id Resolution Class Description Source Keywords
2IO8 2.1 Å EC: 3.5.1.78 E. COLI BIFUNCTIONAL GLUTATHIONYLSPERMIDINE SYNTHETASE/AMIDASE INCOMPLEX WITH MG2+ AND ADP ESCHERICHIA COLI BIFUNCTIONAL GLUTATHIONYLSPERMIDINE SYNTHETASE/AMIDASE LIGASE HYDROLASE
Ref.: DUAL BINDING SITES FOR TRANSLOCATION CATALYSIS BY ESCHERICHIA COLI GLUTATHIONYLSPERMIDINE SYNTHETASE EMBO J. V. 25 5970 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:5001;
B:5002;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CYS A:5003;
B:5004;
Valid;
Valid;
none;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
MG A:7001;
A:7002;
B:7003;
B:7004;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IO8 2.1 Å EC: 3.5.1.78 E. COLI BIFUNCTIONAL GLUTATHIONYLSPERMIDINE SYNTHETASE/AMIDASE INCOMPLEX WITH MG2+ AND ADP ESCHERICHIA COLI BIFUNCTIONAL GLUTATHIONYLSPERMIDINE SYNTHETASE/AMIDASE LIGASE HYDROLASE
Ref.: DUAL BINDING SITES FOR TRANSLOCATION CATALYSIS BY ESCHERICHIA COLI GLUTATHIONYLSPERMIDINE SYNTHETASE EMBO J. V. 25 5970 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2IO9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2IO8 - CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2IO9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2IO8 - CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2IO9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2IO8 - CYS C3 H7 N O2 S C([C@@H](C....
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: CYS; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 DAS 0.521739 0.703704
11 ASP 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 API 0.48 0.62069
17 AS2 0.48 0.692308
18 LEU 0.48 0.692308
19 CSO 0.48 0.677419
20 NVA 0.48 0.666667
21 GLU 0.444444 0.642857
22 DGL 0.444444 0.642857
23 GGL 0.444444 0.642857
24 DAL 0.428571 0.608696
25 ALA 0.428571 0.608696
26 ORN 0.428571 0.740741
27 NLE 0.413793 0.62069
28 3GC 0.405405 0.647059
29 DLY 0.4 0.714286
30 MED 0.4 0.666667
31 UN1 0.4 0.62069
32 11C 0.4 0.62069
33 MET 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IO8; Ligand: ADP; Similar sites found: 337
This union binding pocket(no: 1) in the query (biounit: 2io8.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HZT J60 0.0002585 0.4052 1.07066
2 1Q8Y ADP 0.0002998 0.43788 1.07239
3 1Q8Y ADE 0.0001222 0.40809 1.07239
4 2ZTG A5A 0.01057 0.40253 1.13086
5 3WO0 ALA 0.000006605 0.5401 1.2766
6 3WO0 ADP 0.00394 0.45005 1.2766
7 3VOT ADP 0.00009912 0.41963 1.41176
8 3VSV XYP 0.02836 0.40004 1.45396
9 2JDR L20 0.002368 0.44612 1.46199
10 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.002368 0.44612 1.46199
11 4BTK DTQ 0.0002239 0.43319 1.48368
12 2VQD AP2 0.00001539 0.48711 1.50862
13 2V58 LZJ 0.00002939 0.40169 1.55902
14 5VZ0 ADP 0.0004122 0.41812 1.61551
15 4NFN 2KC 0.000132 0.49335 1.61812
16 2PYW ADP 0.0004551 0.43063 1.66667
17 4IDT T28 0.0005283 0.46574 1.68539
18 4JDI ANP 0.0009957 0.44035 1.7341
19 4XH0 ADP 0.00333 0.4539 1.73697
20 4O1P ANP 0.0002524 0.4294 1.77706
21 5C4L 4XR 0.004488 0.41154 1.77706
22 2CFM AMP 0.001453 0.46 1.78253
23 1IA9 ANP 0.0000585 0.49847 1.78571
24 3DNT ATP 0.000264 0.4526 1.81818
25 3TPV ADE 0.0041 0.41737 1.81818
26 5MY8 RXZ 0.0006431 0.43873 1.82768
27 3V8S 0HD 0.0001115 0.43693 1.95122
28 4YMJ 4EJ 0.0002993 0.51054 1.97368
29 2J7T 274 0.004003 0.41226 1.98676
30 4WNK 453 0.0003966 0.45406 2.00669
31 5UKL SIX 0.00449 0.40734 2.0649
32 3SXF BK5 0.002761 0.42429 2.06612
33 2RIO ADP 0.0004234 0.41971 2.07373
34 3DLS ADP 0.0002258 0.42051 2.08955
35 3G5D 1N1 0.004507 0.43277 2.0979
36 4OAV ACP 0.0009185 0.40564 2.10016
37 5HCY 60D 0.001947 0.43987 2.1148
38 3KN5 ANP 0.0006398 0.40795 2.15385
39 2YAB AMP 0.0001445 0.44553 2.21607
40 3QCQ 3Q0 0.004453 0.44919 2.24359
41 4FL3 ANP 0.0002799 0.45972 2.26171
42 3IGO ANP 0.0006109 0.44542 2.26337
43 5C1P DAL DAL 0.0002489 0.45554 2.28758
44 5C1P ADP 0.00003211 0.44429 2.28758
45 3SLS ANP 0.0004215 0.45222 2.30263
46 2Q7D ANP 0.000001477 0.52643 2.31214
47 3PE2 E1B 0.0004222 0.47097 2.37389
48 4BHN BH9 0.0004782 0.42926 2.39521
49 4E1Z 0MX 0.00007534 0.46991 2.4055
50 2Y6O 1N1 0.006951 0.40085 2.4055
51 4JR7 GNP 0.00009468 0.44446 2.40642
52 4U98 ACP 0.001352 0.44702 2.42291
53 3ALN ANP 0.001366 0.43443 2.44648
54 4UWH JXM 0.004293 0.42802 2.49584
55 1GSA ADP 0.00000002183 0.6107 2.53165
56 3ETH ATP 0.000003346 0.51923 2.53521
57 2WQN ADP 0.0001558 0.50147 2.58065
58 3TTI KBI 0.001338 0.40895 2.58621
59 4AUA 4AU 0.0004662 0.41619 2.60586
60 3SHR CMP 0.01449 0.41074 2.67559
61 4CRL C1I 0.006313 0.40785 2.70936
62 3K5I ADP 0.000005966 0.53596 2.72953
63 3K5I AIR 0.00007372 0.43711 2.72953
64 4N70 2HX 0.001317 0.4513 2.7439
65 4CLI 5P8 0.0002418 0.47931 2.75229
66 2IF8 ADP 0.0006918 0.48789 2.75482
67 4NW6 2NS 0.0003728 0.41016 2.78638
68 2Z7R STU 0.0000599 0.48795 2.80374
69 4EUU BX7 0.0004489 0.44687 2.82132
70 1PK8 ATP 0.000004814 0.51556 2.8436
71 3VPD ANP 0.000001257 0.53566 2.84698
72 4FG8 ATP 0.0005151 0.42941 2.85714
73 4PU5 ANP 0.000365 0.45079 2.86976
74 4ANW O92 0.0007313 0.44595 2.90792
75 1I7L ATP 0.000002602 0.53395 2.91262
76 4I6H 1C8 0.0002175 0.47829 2.92208
77 1XK5 TPG 0.01807 0.414 2.94118
78 5UOX 8GY 0.0006853 0.42707 2.95203
79 4AT3 LTI 0.001038 0.40176 3.01003
80 4GYI ADP 0.001487 0.45443 3.02267
81 4G17 0VN 0.0001759 0.42079 3.0303
82 4NZN 2OU 0.00002551 0.41127 3.0303
83 4NZN ANP 0.00002551 0.41127 3.0303
84 1Z2P I3S 0.0000114 0.43668 3.08642
85 1Z2P ACP 0.0000114 0.43668 3.08642
86 5UIU 8CG 0.002335 0.42201 3.09598
87 4WHZ 3NL 0.003605 0.432 3.11688
88 2YAK OSV 0.0006717 0.44453 3.15789
89 5HVJ ANP 0.00871 0.43224 3.1746
90 3FIU AMP 0.009793 0.41915 3.21285
91 1AUX AGS 0.000004801 0.55259 3.21543
92 4IZY 1J2 0.0001213 0.47968 3.25203
93 2PUL ACP 0.0004539 0.46876 3.27456
94 5GZ9 ANP 0.001876 0.41463 3.27869
95 2R85 AMP 0.008081 0.40083 3.29341
96 4UX9 ANP 0.0007485 0.44568 3.2967
97 1VJY 460 0.001494 0.43292 3.30033
98 1ULE GLA GAL NAG 0.007521 0.4473 3.33333
99 1JI0 ATP 0.03296 0.40066 3.33333
100 3TXO 07U 0.0006162 0.40725 3.39943
101 3OFM 4B0 0.0001795 0.41664 3.42857
102 2AQX ATP 0.000473 0.43463 3.46021
103 1XJD STU 0.0000934 0.45065 3.47826
104 3ORK AGS 0.002531 0.40793 3.53698
105 1TQP ATP 0.0004799 0.44207 3.5461
106 1IOW PHY 0.000007678 0.53246 3.59477
107 1IOW ADP 0.000007678 0.53246 3.59477
108 4QTB 38Z 0.0005257 0.44738 3.68421
109 2PVN P63 0.00007887 0.44873 3.69318
110 5TDF ADP 0.00008846 0.45803 3.7037
111 3C0G 3AM 0.0004796 0.40103 3.7037
112 2X4Z X4Z 0.002472 0.42632 3.71622
113 4DFU QUE 0.004499 0.44575 3.72671
114 2R5T ANP 0.001117 0.43437 3.75335
115 4ZGP ADP 0.001624 0.4013 3.75427
116 1W2D ADP 0.001081 0.46631 3.77358
117 3LXN MI1 0.00008199 0.45853 3.77358
118 2TOH HBI 0.03364 0.40144 3.79009
119 3WVR AMP 0.0001243 0.43012 3.80313
120 4UAL 3FV 0.0006197 0.41578 3.81862
121 3QRC SCR 0.0134 0.42733 3.82166
122 4YZN 4K5 0.0001234 0.46121 3.83275
123 5DMZ ADP 0.001097 0.44675 3.83562
124 1ZTH ADP 0.0003643 0.40462 3.87597
125 1ZP9 ATP 0.0007929 0.40453 3.87597
126 1Q8A HCS 0.01768 0.41619 3.88693
127 4ZS4 ATP 0.0002271 0.43725 3.90879
128 3AB4 THR 0.01444 0.41081 3.93258
129 3TII ANP 0.00003228 0.43893 3.94737
130 3SIG AR6 0.003247 0.40086 3.97112
131 2OFV 242 0.01064 0.40056 3.97112
132 4GJ3 0XP 0.0007194 0.44479 3.97351
133 2XMY CDK 0.0005645 0.47984 4.02685
134 4AZW ATP 0.0002255 0.44156 4.03397
135 2CSN CKI 0.0002312 0.45868 4.0404
136 3HMO STU 0.0002258 0.48266 4.09357
137 5N87 N66 0.001612 0.43546 4.15335
138 2VPQ ANP 0.000002933 0.52673 4.21286
139 5LPZ ADP 0.0002808 0.42491 4.21687
140 5LI1 ANP 0.0003203 0.44108 4.23729
141 2YW2 ATP 0.00002662 0.50802 4.24528
142 5LI9 ACP 0.0002534 0.4705 4.28571
143 1ZY5 ANP 0.0008422 0.40425 4.29043
144 5T8O 76Z 0.001423 0.43368 4.29799
145 3PDT ADP 0.001593 0.44823 4.36364
146 5DEY 59T 0.00288 0.43984 4.3771
147 5C03 AGS 0.001153 0.40487 4.38596
148 5LXC 7AA 0.00002031 0.45416 4.41176
149 3E7O 35F 0.007646 0.40184 4.44444
150 2WU6 DKI 0.0001202 0.47074 4.46194
151 3UDZ ADP 0.0004835 0.42514 4.46247
152 5EFQ ADP 0.000305 0.42701 4.47761
153 4NST ADP 0.0003707 0.4242 4.47761
154 1O9U ADZ 0.0003399 0.49937 4.57143
155 2A19 ANP 0.002947 0.44487 4.57746
156 5CPZ SIA SIA GAL NGA GAL 0.0242 0.40356 4.57746
157 4D2S DYK 0.0006364 0.40039 4.57746
158 5I35 ANP 0.00002233 0.45984 4.58015
159 3VPC ADP 0.000005662 0.53114 4.60993
160 2XVD AS6 0.001919 0.42408 4.63576
161 2ZV2 609 0.00008543 0.52053 4.69799
162 5LPB ADP 0.0002066 0.40588 4.72973
163 4WOV 3SM 0.005395 0.42752 4.73186
164 3PP0 03Q 0.004231 0.40677 4.73373
165 4OCJ NDG 0.003454 0.42371 4.74934
166 2X2M X2M 0.001892 0.41088 4.77707
167 4U44 3D9 0.0003573 0.42706 4.81928
168 2NZ5 226 0.001492 0.48442 4.84262
169 2QCS ANP 0.0003021 0.45392 4.85714
170 5AX9 4KT 0.0007113 0.41394 4.87013
171 1U5R ATP 0.0003676 0.47296 4.88506
172 3GQI ACP 0.0005405 0.41705 4.90798
173 4K33 ACP 0.0001459 0.44279 4.92308
174 3PLS ANP 0.000175 0.42944 5.03356
175 3SRV S19 0.00004208 0.45113 5.05415
176 5IH9 6BF 0.000345 0.46391 5.07463
177 2QK4 ATP 0.0001261 0.40581 5.0885
178 4BFM ANP 0.0003425 0.43539 5.08982
179 2B9J ADP 0.001648 0.44306 5.09915
180 2B9I ADP 0.002061 0.43446 5.09915
181 2B9H ADP 0.001635 0.40591 5.09915
182 2B9F ADP 0.001622 0.40013 5.09915
183 3RI1 3RH 0.0002441 0.45771 5.11182
184 4F4P 0SB 0.002848 0.44409 5.12821
185 4K37 SAM 0.01293 0.40194 5.13514
186 5W4W 9WG 0.0008554 0.44165 5.13595
187 4KBA 1QM 0.0007804 0.417 5.13595
188 4KS7 X4Z 0.0004057 0.44889 5.13699
189 5JKG 6LF 0.001774 0.43611 5.14469
190 5UR1 YY9 0.002843 0.43168 5.14469
191 1V0O INR 0.001024 0.44386 5.20833
192 3EKK GS2 0.0002805 0.46909 5.21173
193 4H3Q ANP 0.001568 0.41802 5.24862
194 4H3P ANP 0.0008419 0.41166 5.24862
195 5BVE 4VG 0.0009218 0.46781 5.26316
196 2HGS ADP 0.0000006204 0.55293 5.27426
197 4M69 ANP 0.001625 0.41013 5.30035
198 1EHI ADP 0.00000217 0.5613 5.30504
199 5TA6 79D 0.000198 0.46322 5.30726
200 4A4X JUP 0.005259 0.40302 5.37634
201 3V4S ATP 0.00002175 0.50649 5.42636
202 3KMW ATP 0.0007536 0.45866 5.42636
203 3V4S ADP 0.00009614 0.41581 5.42636
204 1RE8 BD2 0.000342 0.47498 5.42857
205 4WB6 ATP 0.0002635 0.45635 5.42857
206 3FHI ANP 0.0004018 0.44884 5.42857
207 4IX4 ADP 0.0005107 0.43001 5.42857
208 5M06 ADP 0.0004617 0.41538 5.43478
209 4XV1 904 0.001708 0.43182 5.47945
210 4OFG PCG 0.01424 0.4072 5.55556
211 3IDB ANP 0.0007432 0.43803 5.59006
212 1KJ8 ATP 0.00003421 0.42405 5.6266
213 1KJ8 GAR 0.00003717 0.41847 5.6266
214 5HX8 66P 0.0003139 0.43762 5.62914
215 2GU8 796 0.0005499 0.47371 5.63798
216 1PHK ATP 0.0003168 0.43102 5.7047
217 1Y57 MPZ 0.001444 0.41849 5.75221
218 4CQE CQE 0.00315 0.41537 5.7554
219 2Z49 AMG 0.008937 0.44356 5.78704
220 2Z48 A2G 0.009623 0.43887 5.78704
221 5VCV 1N1 0.0003698 0.44666 5.78778
222 3SJK LYS PRO VAL LEU ARG THR ALA 0.01156 0.4273 5.78947
223 3KAL ADP 0.000007587 0.45922 5.81162
224 3AKK ADP 0.00001864 0.47611 5.84615
225 3X01 AMP 0.0003383 0.50722 5.85242
226 2XK9 XK9 0.002314 0.42878 5.90062
227 4L3L 5FI 0.002422 0.42135 5.92105
228 3FHR P4O 0.0002224 0.47299 5.95238
229 2F2U M77 0.00138 0.4611 5.97015
230 3MVH WFE 0.000579 0.44722 6.14035
231 5MW8 ATP 0.001611 0.41738 6.15711
232 3GNI ATP 0.007084 0.40363 6.15836
233 3TKI S25 0.001559 0.45172 6.19195
234 2HY0 306 0.0006955 0.47028 6.21118
235 4G9N NGA 0.03415 0.40091 6.29371
236 4YLL 4E3 0.0006015 0.4347 6.37119
237 4P5Z Q7M 0.002353 0.43085 6.37119
238 2RIF AMP 0.01037 0.40999 6.38298
239 4YZC STU 0.00141 0.43917 6.41975
240 3LXK MI1 0.0003887 0.4296 6.42202
241 4O4F IHP 0.003449 0.41054 6.45161
242 4O4F ATP 0.003155 0.41054 6.45161
243 2V7O DRN 0.00004206 0.41943 6.54762
244 2JLD AG1 0.0001306 0.4218 6.66667
245 1XFF GLU 0.00969 0.41526 6.66667
246 4Y93 746 0.000763 0.4357 6.72646
247 1Z82 G3P 0.008767 0.43071 6.86567
248 3ORQ ADP 0.000003081 0.54831 6.89655
249 5X8I SQZ 0.0000648 0.45134 6.93642
250 3M2W L8I 0.0001582 0.42396 7.02341
251 2VZ6 FEF 0.0002657 0.49034 7.02875
252 4X7Q 3YR 0.0006354 0.4574 7.05128
253 1XNG ATP 0.007785 0.40511 7.08955
254 4NM5 ADP 0.01426 0.40722 7.1618
255 3NW7 LGV 0.0008019 0.45877 7.49186
256 3DAK ANP 0.002561 0.43856 7.58621
257 5AWM ANP 0.0001758 0.40968 7.61421
258 2VN9 GVD 0.00001156 0.43887 7.6412
259 1U59 STU 0.0001099 0.49159 7.66551
260 5LXT ACP 0.00000162 0.54805 7.69231
261 1K3A ACP 0.0001571 0.42281 7.69231
262 3F7Z 34O 0.0004539 0.42024 7.71429
263 5A6N U7E 0.0003451 0.43043 7.77385
264 1VJE MSE 0.0277 0.40558 7.83133
265 3GC8 B45 0.005955 0.40369 7.83784
266 5VC5 96M 0.0001451 0.46878 7.95848
267 3I0O ADP 0.002854 0.44556 7.9646
268 3GGF GVD 0.001498 0.4495 7.97342
269 5JFS 6K0 0.004893 0.41938 8.11688
270 1J6X MET 0.03204 0.40147 8.125
271 5HES 032 0.002101 0.40826 8.14332
272 1E4E ADP 0.000005065 0.50232 8.16327
273 1BYG STU 0.0003196 0.41355 8.27338
274 5K2M ADP 0.000000001759 0.66248 8.42491
275 3SXS PP2 0.00292 0.42023 8.95522
276 4F9C 0SX 0.0002557 0.42435 9.02778
277 4XYM A12 0.0001103 0.44699 9.13043
278 1M0W ANP 0.000002604 0.4884 9.16497
279 5TO8 7FM 0.00009634 0.49163 9.21986
280 4Y8D 49J 0.001691 0.43832 9.28571
281 3RE4 TO1 0.00461 0.4353 9.30233
282 4QMN DB8 0.0005514 0.45526 9.35484
283 5EOB 5QQ 0.006927 0.42362 9.40439
284 1T36 ADP 0.00002057 0.50374 9.42408
285 4AU8 Z3R 0.000327 0.49186 9.45946
286 5G1X ADP 0.0003189 0.42497 9.52381
287 5JGA 6KC 0.002678 0.42227 9.52381
288 3O0G 3O0 0.0002503 0.42232 9.58904
289 4TWP AXI 0.001894 0.44141 9.5941
290 4FE2 ADP 0.002461 0.44391 10.1961
291 4LO2 GAL BGC 0.006778 0.44556 10.2041
292 5L8L ADP 0.0005181 0.40002 10.2564
293 4OTH DRN 0.0001459 0.4544 10.2639
294 5U6C 7YS 0.0004899 0.43266 10.4762
295 3VPB ADP 0.0000000946 0.58277 10.7143
296 5H2U 1N1 0.001453 0.40131 10.8614
297 5DA3 58V 0.00186 0.45471 10.9434
298 5USZ SKE 0.001105 0.43246 11.0727
299 4OCV ANP 0.00185 0.40531 11.3456
300 1DZK PRZ 0.01418 0.40359 11.465
301 3UIM ANP 0.00095 0.40957 11.6564
302 5FBN 5WF 0.008081 0.40451 11.8081
303 4BCM T7Z 0.0001507 0.43012 11.8321
304 4WNP 3RJ 0.000117 0.42336 11.8467
305 3GC0 AMP 0.0001188 0.42783 11.8541
306 4USF 6UI 0.002105 0.41603 12.1711
307 4E93 GUI 0.0006194 0.40228 12.2016
308 4IJP 1EH 0.00007586 0.46111 12.2905
309 4LH7 1X8 0.002602 0.46099 12.6935
310 2XKO AKG 0.03314 0.40182 13.0631
311 4EWH T77 0.0002104 0.43885 13.0909
312 5LXM ADP 0.0002563 0.42692 13.1579
313 2G30 ALA ALA PHE 0.009538 0.44565 13.1783
314 4WW7 AMP 0.0005271 0.43058 13.369
315 2PZI AXX 0.001579 0.45317 13.4087
316 4C2V YJA 0.000717 0.44335 13.6364
317 4CFU 2WC 0.00003944 0.52359 13.7405
318 4BCN T9N 0.00005487 0.52323 13.7405
319 5JZJ AN2 0.0002326 0.42718 14.1414
320 3KRL KRL 0.001613 0.41297 14.9254
321 4C2W ANP 0.0001537 0.41488 15.3846
322 3DGY 2GP 0.03127 0.40201 15.4639
323 1UNH IXM 0.0001794 0.41589 16.8269
324 3BF1 PAU 0.01582 0.40498 17.2691
325 3PVW QRX 0.001709 0.41054 17.5676
326 5EYK 5U5 0.004961 0.40555 18.6441
327 3ZRM ZRM 0.0001991 0.43293 18.75
328 5HQ0 LZ9 0.0001771 0.44526 19.0476
329 4Q5H ANP 0.001123 0.44631 21.7949
330 4Y0X ADP 0.0002184 0.42532 22.6667
331 3LQV ADE 0.007875 0.44245 33.3333
332 3BU5 ATP 0.000437 0.42143 33.3333
333 5LVP ATP 0.0003351 0.41025 33.3333
334 3CY2 MB9 0.001196 0.42198 35.7143
335 3E5A VX6 0.0005892 0.43252 36.3636
336 4OH4 ANP 0.0002428 0.47615 38.0952
337 2PVF ACP 0.0002339 0.48197 46.6667
Pocket No.: 2; Query (leader) PDB : 2IO8; Ligand: CYS; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 2io8.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MO2 FDA 0.01867 0.41842 2.71739
2 2X06 NAD 0.03482 0.40575 3.19767
3 4P4M D3T 0.01045 0.40522 4.2328
4 1I8T FAD 0.01726 0.4244 5.17711
Pocket No.: 3; Query (leader) PDB : 2IO8; Ligand: CYS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2io8.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2IO8; 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: 2io8.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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