Receptor
PDB id Resolution Class Description Source Keywords
2WE5 1.39 Å EC: 2.7.2.2 CARBAMATE KINASE FROM ENTEROCOCCUS FAECALIS BOUND TO MGADP ENTEROCOCCUS FAECALIS ARGININE CATABOLISM ARGININE METABOLISM ATP SYNTHESYS KINOPEN ALPHA/BETA SHEET PHOSPHOTRANSFERASE TRANSFERASE
Ref.: SUBSTRATE BINDING AND CATALYSIS IN CARBAMATE KINASE ASCERTAINED BY CRYSTALLOGRAPHIC AND SITE- DIRECTED MUTAGENESIS STUDIES. MOVEMENTS AND SIGNIFICANCE OF GLOBULAR SUBDOMAIN OF THIS KEY ENZYME FOR FERMENTAT PRODUCTION IN BACTERIA. J.MOL.BIOL.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1313;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ADP A:1311;
B:1311;
C:1311;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1312;
B:1312;
C:1312;
Invalid;
Invalid;
Invalid;
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
2WE5 1.39 Å EC: 2.7.2.2 CARBAMATE KINASE FROM ENTEROCOCCUS FAECALIS BOUND TO MGADP ENTEROCOCCUS FAECALIS ARGININE CATABOLISM ARGININE METABOLISM ATP SYNTHESYS KINOPEN ALPHA/BETA SHEET PHOSPHOTRANSFERASE TRANSFERASE
Ref.: SUBSTRATE BINDING AND CATALYSIS IN CARBAMATE KINASE ASCERTAINED BY CRYSTALLOGRAPHIC AND SITE- DIRECTED MUTAGENESIS STUDIES. MOVEMENTS AND SIGNIFICANCE OF GLOBULAR SUBDOMAIN OF THIS KEY ENZYME FOR FERMENTAT PRODUCTION IN BACTERIA. J.MOL.BIOL.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WE5 - 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 3 families.
1 2WE5 - 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 1 families.
1 4JZ9 - CIT C6 H8 O7 C(C(=O)O)C....
2 4JZ8 - CIT C6 H8 O7 C(C(=O)O)C....
3 1E19 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2WE5 - 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 : 2WE5; Ligand: ADP; Similar sites found: 327
This union binding pocket(no: 1) in the query (biounit: 2we5.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XRH NIO 0.0005445 0.46858 None
2 1UO5 PIH 0.009413 0.44345 None
3 1Y2W NAG 0.001538 0.44097 None
4 1UO4 PIH 0.007883 0.43832 None
5 1BTN I3P 0.01476 0.43614 None
6 4F4S EFO 0.00154 0.42808 None
7 1H8G CHT 0.02049 0.42512 None
8 2ALG DAO 0.00287 0.42293 None
9 3U5S FAD 0.00208 0.41305 None
10 3K3G MMU 0.004471 0.41204 None
11 3RF4 FUN 0.004846 0.40792 None
12 4N7U 2JA 0.004543 0.44188 0.526316
13 2JC9 ADN 0.007266 0.40078 0.645161
14 3MAG 3MA 0.01092 0.43102 0.977199
15 1WGC SIA GAL BGC 0.01444 0.42476 1.16959
16 3WCS MAN NAG 0.002226 0.42161 1.1811
17 3R51 MMA 0.02037 0.40978 1.25
18 1DXY COI 0.003032 0.4505 1.29032
19 1RYD GLC 0.002021 0.43581 1.29032
20 1E7S NAP 0.001948 0.42974 1.29032
21 2BO4 FLC 0.004929 0.42537 1.29032
22 2FGQ MLT 0.01324 0.40025 1.29032
23 1P4A PCP 0.003704 0.40422 1.40351
24 1JA9 NDP 0.01145 0.42653 1.82482
25 2QCX PF1 0.001611 0.43345 1.90114
26 2ZWS PLM 0.002406 0.47544 1.93548
27 4CCO OGA 0.001153 0.43318 1.93548
28 2Q97 ATP 0.001056 0.42587 1.93548
29 1T10 F6P 0.002758 0.42365 1.93548
30 1RYI GOA 0.02331 0.42031 1.93548
31 1KBJ FMN 0.003831 0.40989 1.93548
32 4DQ2 BTX 0.005152 0.40931 1.93548
33 1P9B HDA 0.007847 0.40459 1.93548
34 2VHJ ADP 0.0003576 0.40238 1.93548
35 2P41 G1G 0.004664 0.40348 1.96721
36 2V5E SCR 0.01287 0.42735 2
37 2QGI UDP 0.003788 0.41788 2.01613
38 1JN2 SFP 0.03755 0.40049 2.1097
39 3VPD CIT 0.0007858 0.48975 2.13523
40 3VPD BUA 0.002586 0.4791 2.13523
41 4FK7 P34 0.016 0.40344 2.18341
42 3F81 STT 0.003875 0.44527 2.18579
43 4B16 NAG 0.005929 0.44469 2.25564
44 3IHB TRS 0.00001859 0.59094 2.25806
45 3IHB GLU 0.001491 0.44884 2.25806
46 1TDF NAP 0.004237 0.44643 2.25806
47 1TDF FAD 0.001803 0.44643 2.25806
48 2CE7 ADP 0.0001405 0.44415 2.25806
49 1NML CIT 0.0009164 0.43721 2.25806
50 4HZO COA 0.001412 0.42962 2.25806
51 4E28 9MZ 0.009216 0.40712 2.25806
52 1KTC NGA 0.005462 0.40581 2.25806
53 1ZFJ IMP 0.01589 0.40494 2.25806
54 3I0O ADP 0.003469 0.40358 2.25806
55 3RHZ UDP 0.0004965 0.40273 2.25806
56 2F2U M77 0.003851 0.40186 2.25806
57 2R5T ANP 0.000164 0.40032 2.25806
58 3VHZ L2P GLC MAN SGA 0.02292 0.41259 2.29008
59 2QIA U20 0.01517 0.41251 2.29008
60 1HQL GLA MBG 0.01136 0.40894 2.33463
61 1B74 DGN 0.002944 0.44292 2.3622
62 3OZG SSI 0.001069 0.41521 2.4
63 3O7B SAH 0.0005853 0.40181 2.45902
64 1XE7 GUN 0.0303 0.40122 2.46305
65 1QPR PHT 0.02045 0.40015 2.46479
66 1QB7 ADE 0.003049 0.40571 2.54237
67 1WTC ACP 0.0005737 0.46756 2.58065
68 3P7I P7I 0.0007723 0.44022 2.58065
69 2Y0I AKG 0.002296 0.427 2.58065
70 1Q11 TYE 0.001723 0.42611 2.58065
71 1H2K OGA 0.003928 0.42326 2.58065
72 2J8Z NAP 0.002726 0.41999 2.58065
73 4B7E OGA 0.004101 0.41643 2.58065
74 2VAR AMP 0.002671 0.40789 2.58065
75 2VAR KDG 0.002809 0.40231 2.58065
76 4R33 SAH 0.01066 0.40199 2.58065
77 4R33 TRP 0.01066 0.40199 2.58065
78 4WVH ASP HIS ASP ALA HIS ALA 0.00518 0.4017 2.58065
79 4KCT PYR 0.005281 0.40137 2.58065
80 1G8S MET 0.004001 0.42291 2.6087
81 3UCJ AZM 0.003197 0.40991 2.64317
82 4B9E FAH 0.002142 0.44173 2.65781
83 4EXO PYR 0.009861 0.41819 2.73973
84 4ME6 ADP 0.003243 0.4207 2.84974
85 1H9G COA MYR 0.003597 0.41246 2.88066
86 2DWU DGL 0.002615 0.41333 2.89855
87 2IZ1 ATR 0.0005138 0.46166 2.90323
88 1I0Z OXM 0.00393 0.44497 2.90323
89 4RJK PYR 0.004375 0.43483 2.90323
90 1SOW OXL 0.009024 0.42723 2.90323
91 1GPJ CIT 0.005782 0.41595 2.90323
92 4LHM AZZ 0.005298 0.41176 2.90323
93 4JP3 CIT 0.000453 0.43141 2.92887
94 5EQU AKG 0.0067 0.42611 2.95082
95 1OIK AKG 0.0106 0.40447 2.99003
96 1II5 GLU 0.006954 0.4068 3.00429
97 2OI2 DP6 0.0009293 0.41995 3.08219
98 4F2Q QUS 0.001039 0.41322 3.10078
99 1Y7P RIP 0.009959 0.41799 3.13901
100 3L6R MLI 0.003904 0.42995 3.17919
101 2NZU BG6 0.001765 0.42569 3.21429
102 2Q3M MLA 0.0005084 0.48853 3.22581
103 4USQ FAD 0.0005441 0.45413 3.22581
104 2OWZ CIT 0.004647 0.42008 3.22581
105 4GYW UDP 0.008434 0.40481 3.22581
106 2DKH 3HB 0.01341 0.4043 3.22581
107 2Q8M AMP 0.00286 0.40202 3.22581
108 1WRA PC 0.00428 0.42814 3.24675
109 2P69 PLP 0.001976 0.42973 3.26797
110 1ZUW DGL 0.001347 0.42461 3.30882
111 2JFV FLC 0.00922 0.40711 3.43643
112 3UBW 6SP 0.004767 0.46361 3.44828
113 3CBG FER 0.004096 0.44409 3.44828
114 1QH9 LAC 0.002313 0.43327 3.44828
115 3CBG 4FE 0.01908 0.41851 3.44828
116 2PWY SAH 0.003538 0.40799 3.48837
117 3QDY A2G GAL 0.002084 0.44997 3.4965
118 3QDW A2G 0.006766 0.43338 3.4965
119 3QDY CBS 0.004201 0.42851 3.4965
120 3QDW NDG 0.004333 0.4279 3.4965
121 3QDT A2G GAL 0.01147 0.4151 3.4965
122 3QDV NDG 0.009234 0.41303 3.4965
123 3QDV A2G 0.01959 0.41062 3.4965
124 4BT5 23B 0.004753 0.40316 3.50195
125 1QR0 COA 0.002649 0.40802 3.50877
126 3TKA CTN 0.004339 0.46735 3.54839
127 3CL5 SIO 0.000995 0.45676 3.54839
128 1O9U ADZ 0.005892 0.43633 3.54839
129 1MOQ GLP 0.0002063 0.41745 3.54839
130 4O8A 2OP 0.01631 0.41455 3.54839
131 1IYE PGU 0.007946 0.4046 3.55987
132 2EB5 OXL 0.01062 0.40442 3.74532
133 2YD6 FLC 0.003492 0.46995 3.77358
134 1YOA FMN 0.003498 0.46668 3.77358
135 3JDW ORN 0.001094 0.40549 3.78251
136 4M5P MLA 0.003005 0.45986 3.87097
137 4G1V FAD 0.0002408 0.45897 3.87097
138 1Q3Q ANP 0.00206 0.45161 3.87097
139 1Z44 NPO 0.008281 0.44647 3.87097
140 4USS GSH 0.001797 0.42537 3.87097
141 4M5P 23W 0.009558 0.41883 3.87097
142 3AHC TPP 0.004662 0.41233 3.87097
143 3QV9 QV7 0.007531 0.40534 3.87097
144 1RZM E4P 0.0159 0.40231 3.87097
145 3ESS 18N 0.01148 0.41846 3.91304
146 1SS4 GSH 0.04958 0.40513 3.92157
147 1ULE GLA GAL NAG 0.01174 0.41462 4
148 1O68 KIV 0.003446 0.41392 4
149 1YAG ATP 0.002979 0.41079 4
150 2BZ1 TAU 0.001223 0.49129 4.08163
151 2FR6 URI 0.0001306 0.42027 4.10959
152 1KC7 PPR 0.001006 0.45655 4.19355
153 2ZJ5 ADP 0.0008468 0.44515 4.19355
154 2PTZ PAH 0.0002163 0.44012 4.19355
155 2RCN GDP 0.002023 0.41246 4.19355
156 2IUW AKG 0.00473 0.40324 4.20168
157 1V6A TRE 0.002613 0.42464 4.21687
158 2AZ3 CDP 0.002954 0.41663 4.26829
159 4JWX 1N4 0.005686 0.4051 4.28571
160 2BGM NAJ 0.02448 0.40613 4.31655
161 1NF8 BOG 0.006236 0.42075 4.34783
162 3SHR CMP 0.002706 0.40767 4.34783
163 1NF8 ISC 0.003243 0.40002 4.34783
164 3LL5 ATP 0.001287 0.40206 4.41767
165 2C4I BTN 0.002574 0.40149 4.42804
166 2O66 FLC 0.006938 0.40684 4.44444
167 3LL9 ADP 0.004723 0.40701 4.46097
168 3O03 GCO 0.0175 0.41305 4.46735
169 2YVF FAD 0.006849 0.43169 4.51613
170 2YVF NAD 0.008915 0.42747 4.51613
171 3O2K DST 0.002453 0.4199 4.51613
172 4N02 FNR 0.01437 0.41313 4.51613
173 3VCA PRO 0.004608 0.4115 4.51613
174 4OYA 1VE 0.0496 0.40965 4.51613
175 1R37 NAD 0.00803 0.40799 4.51613
176 3C1O NAP 0.004028 0.4075 4.51613
177 1PX8 XYP 0.007156 0.40627 4.51613
178 4IHQ ADP 0.004033 0.40596 4.51613
179 4N7C AEF 0.008558 0.41452 4.54545
180 2X2T GAL NGA 0.003377 0.4482 4.57516
181 1H8P PC 0.0005751 0.4859 4.58716
182 3VKX T3 0.0007315 0.42885 4.5977
183 2QLX RM4 0.004456 0.42735 4.62963
184 3LTW HLZ 0.002503 0.43177 4.64286
185 1Y9Q MED 0.0007255 0.45515 4.6875
186 1QD0 RR6 0.0006924 0.42464 4.6875
187 3H22 B53 0.001737 0.41497 4.7138
188 3ZGE ASP 0.009163 0.4197 4.83871
189 4M51 BEZ 0.01274 0.41294 4.83871
190 1UJ5 5RP 0.003154 0.40046 4.84582
191 2VQ5 LDP 0.01348 0.41863 4.97512
192 1XX4 BAM 0.002026 0.42621 4.98084
193 4BAS GNP 0.00015 0.45533 5.02513
194 1XHL NDP 0.00787 0.40599 5.05051
195 3I7S PYR 0.01049 0.41692 5.13699
196 3DAG FEG 0.001436 0.42607 5.16129
197 1WHT BZS 0.007353 0.4114 5.22876
198 1V2G OCA 0.002616 0.40344 5.26316
199 1JH7 UVC 0.005588 0.41079 5.29101
200 4G28 0W8 0.0008957 0.43155 5.36913
201 2VMD MBG 0.03017 0.40132 5.44747
202 1Y1A GSH 0.0008045 0.50319 5.46448
203 2PYU IMP 0.006167 0.40899 5.47945
204 1V5F TPP 0.03106 0.4306 5.48387
205 1V5F FAD 0.03106 0.4306 5.48387
206 3FPZ AHZ 0.013 0.42856 5.48387
207 1GJW GLC 0.009679 0.4121 5.48387
208 2C5S AMP 0.004317 0.4048 5.48387
209 4NES UDP 0.002762 0.40256 5.48387
210 2Y7P SAL 0.001095 0.43408 5.50459
211 3BRE C2E 0.007801 0.41028 5.58659
212 1JGS SAL 0.001654 0.48422 5.7971
213 9LDT OXM 0.003475 0.45661 5.80645
214 9LDB OXM 0.003568 0.45602 5.80645
215 4WBD ADP 0.003482 0.43219 5.80645
216 4WBD CIT 0.007027 0.42513 5.80645
217 1P72 THM 0.003202 0.41521 5.80645
218 2WGC SIA GAL BGC 0.004081 0.46307 5.84795
219 3WUD GLC GAL 0.004615 0.43373 5.88235
220 3S9K CIT 0.0003246 0.54439 5.9322
221 3QUR ADP 0.00000001344 0.45375 5.94406
222 3QUR FM4 0.000009764 0.42343 5.94406
223 2C31 TZD 0.007343 0.43666 6.12903
224 2C31 ADP 0.02845 0.41044 6.12903
225 3W8S GSH 0.004914 0.41313 6.31068
226 2XDQ MGX 0.0009381 0.47549 6.45161
227 4TSK NDP 0.007981 0.42678 6.45161
228 1RY2 AMP 0.005642 0.40351 6.45161
229 4JCA CIT 0.01327 0.42106 6.58683
230 2Q37 3AL 0.005848 0.40996 6.62983
231 2E1A MSE 0.001892 0.41884 6.66667
232 4LO6 SIA GAL 0.0064 0.42356 6.77419
233 1S8F GDP 0.001213 0.41082 6.77966
234 4F8L GAL 0.001759 0.48278 6.89655
235 2HFK E4H 0.001308 0.43096 6.89655
236 1A5V Y3 0.002876 0.42289 6.96203
237 1GVF PGH 0.005648 0.40522 6.99301
238 3SJ0 DXC 0.003129 0.43429 7.04225
239 2XI7 XI7 0.002848 0.47149 7.06522
240 1L5Y BEF 0.006626 0.43653 7.09677
241 3C1M ANP 0.000214 0.43568 7.09677
242 4FGC PQ0 0.001937 0.4301 7.27273
243 3VPQ GSH 0.005242 0.41195 7.35294
244 5YAS FAC 0.001148 0.40029 7.393
245 2J0W ADP 0.0001961 0.47998 7.41935
246 3GTD MLI 0.007099 0.40642 7.41935
247 2P4Q FLC 0.009895 0.40577 7.41935
248 3MTW M3R 0.001451 0.40167 7.41935
249 2JBH 5GP 0.003643 0.40769 7.55556
250 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002631 0.41108 7.65957
251 3CEV ARG 0.004819 0.40292 7.69231
252 1FIQ FAD 0.006057 0.41283 7.74194
253 1FIQ SAL 0.007994 0.40573 7.74194
254 1FIQ MTE 0.006899 0.40573 7.74194
255 1PR9 NAP 0.00275 0.42515 7.78689
256 3PNA CMP 0.003183 0.40999 7.79221
257 1TUV VK3 0.02999 0.40145 7.89474
258 2XBP ATP 0.01056 0.41437 7.9646
259 1H16 PYR 0.001546 0.45607 8.06452
260 1H16 DTL 0.01238 0.42046 8.06452
261 4M2K PLP 0.002336 0.41525 8.06452
262 3W54 RNB 0.002195 0.40165 8.06452
263 1ZZ7 S0H 0.003437 0.41397 8.08081
264 1T0S BML 0.003859 0.43739 8.13953
265 1OFH ADP 0.0006275 0.43972 8.3871
266 4AF5 CIT 0.002304 0.43334 8.42105
267 1Y75 NAG 0.002737 0.41256 8.47458
268 4CCN OGA 0.009407 0.40673 8.57143
269 1FBL HTA 0.0002877 0.44455 8.70968
270 1Y8O ADP 0.004293 0.40007 8.70968
271 2PFC PLM 0.0004099 0.433 8.74317
272 1UW1 ADP 0.005201 0.41209 8.75
273 1EB9 HBA 0.0005652 0.42788 8.77863
274 3GM5 CIT 0.002411 0.43248 8.80503
275 4BI7 PGA 0.00233 0.41529 8.94942
276 1T3D CYS 0.002969 0.43532 8.99654
277 1EYQ NAR 0.003162 0.4101 9.00901
278 3ZPG 5GP 0.01801 0.41242 9.1623
279 2BLE 5GP 0.003459 0.44359 9.35484
280 1Y42 TYR 0.001551 0.42796 9.35484
281 3SQG COM 0.01914 0.41844 9.35484
282 3B9Z CO2 0.006775 0.41295 9.35484
283 1QO0 BMD 0.007342 0.41143 9.35484
284 1PEA ACM 0.01848 0.40529 9.35484
285 1UOU CMU 0.001942 0.40354 9.35484
286 2F01 BTQ 0.01188 0.42404 9.44882
287 2F01 BTN 0.01188 0.42404 9.44882
288 4IXW IXW 0.003188 0.40996 9.44882
289 2ZE3 AKG 0.0009903 0.4423 9.45455
290 2D37 FMN 0.007029 0.40133 9.65909
291 4W6Z ETF 0.007196 0.43206 9.67742
292 1NME 159 0.00319 0.44942 9.78261
293 2OFD NGA 0.007661 0.41062 9.85915
294 2OFE NAG 0.008479 0.4087 9.85915
295 2NVK NAP 0.005207 0.40665 10
296 1Q3P GLU ALA GLN THR ARG LEU 0.001369 0.40277 10.0917
297 4Q3F TLA 0.009442 0.40666 10.2564
298 2W8Q SIN 0.001691 0.44636 10.2669
299 3W2W ATP 0.0006693 0.42519 10.3226
300 2YIV YIV 0.01066 0.41659 10.3226
301 2YIV NBN 0.007911 0.41607 10.3226
302 1QDS PGA 0.00245 0.40931 10.3586
303 1I1Q TRP 0.005166 0.40174 10.4167
304 1M1B SPV 0.006625 0.40768 10.5085
305 3Q9T FAY 0.0004206 0.46364 10.6452
306 2HEK GDP 0.001847 0.41396 10.6452
307 1HFA PIO 0.004313 0.42138 10.7266
308 2YLD CMO 0.004735 0.41972 11.0236
309 1T57 FMN 0.0009597 0.42741 11.165
310 1PTR PRB 0.01179 0.40821 12
311 3H86 AP5 0.003855 0.43745 13.0208
312 2P1M IHP 0.001928 0.42122 13.125
313 1Y7I SAL 0.001242 0.43187 13.806
314 2BOI MFU 0.0006101 0.44436 15.0442
315 2Q8H TF4 0.008591 0.42828 16.4516
316 2Z9V PXM 0.003426 0.41402 18.3871
317 2AKO ADP 0.000818 0.43983 21.1155
318 1VR0 3SL 0.004133 0.40554 25.1012
319 2FKA BEF 0.01476 0.41748 27.1318
320 4A6F SEP 0.0282 0.4097 28.3333
321 3PNL ADP 0.0003361 0.44439 32.2275
322 1YFZ IMP 0.00415 0.41621 33.1707
323 1SC3 MLI 0.003977 0.43677 34.0909
324 1NU4 MLA 0.002568 0.47392 38.1443
325 1JAC AMG 0.01069 0.4315 40
326 1GS5 ANP 0.00000001069 0.45111 43.4109
327 1GS5 NLG 0.00001776 0.41768 43.4109
Pocket No.: 2; Query (leader) PDB : 2WE5; Ligand: ADP; Similar sites found: 6
This union binding pocket(no: 2) in the query (biounit: 2we5.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H1W LER 0.009771 0.40429 2.75862
2 4RF7 ARG 0.01805 0.4072 4.83871
3 5M0T AKG 0.01775 0.402 5.44218
4 4WCX MET 0.01355 0.41545 5.80645
5 4DFU QUE 0.01389 0.40322 5.80645
6 1RVV INI 0.01205 0.40625 11.6883
Pocket No.: 3; Query (leader) PDB : 2WE5; Ligand: ADP; 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: 2we5.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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