Receptor
PDB id Resolution Class Description Source Keywords
1B6S 2.5 Å EC: 4.1.1.21 STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE ESCHERICHIA COLI ATP-GRASP CARBOXYPHOSPHATE PURINE BIOSYNTHESIS LYASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE: A MEMBER OF THE ATP GRASP PROTEIN SUPERFAMILY. BIOCHEMISTRY V. 38 15480 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1100;
B:1200;
C:1300;
D:1400;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1101;
B:1201;
C:1301;
D:1401;
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
3ETH 1.6 Å EC: 4.1.1.21 CRYSTAL STRUCTURE OF E. COLI PURK IN COMPLEX WITH MGATP ESCHERICHIA COLI ATP-GRASP PURINE BIOSYNTHESIS ANTIMICROBIAL ATP-BINDING DECARBOXYLASE LYASE NUCLEOTIDE-BINDING
Ref.: STRUCTURAL ANALYSIS OF THE ACTIVE SITE GEOMETRY OF N(5)-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE FROM ESCHERICHIA COLI. BIOCHEMISTRY V. 47 13346 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3ETJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3ETH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1B6S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3ETJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3ETH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1B6S - 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 3ETJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3ETH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1B6S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 5FA 0.887324 1
5 AQP 0.887324 1
6 B4P 0.884058 0.971831
7 AP5 0.884058 0.971831
8 BA3 0.869565 0.971831
9 M33 0.833333 0.958333
10 ACQ 0.826667 0.972222
11 A 0.823529 0.971429
12 AMP 0.823529 0.971429
13 ACP 0.821918 0.972222
14 AR6 0.810811 0.971831
15 APR 0.810811 0.971831
16 ANP 0.802632 0.972222
17 AD9 0.8 0.972222
18 AGS 0.8 0.945946
19 SAP 0.8 0.945946
20 ADX 0.783784 0.873418
21 CA0 0.783784 0.945205
22 TAT 0.779221 0.958904
23 AMP MG 0.774648 0.891892
24 50T 0.773333 0.958333
25 ABM 0.763889 0.917808
26 PRX 0.763158 0.893333
27 APC 0.763158 0.958904
28 ATF 0.759494 0.958904
29 A22 0.753086 0.985915
30 AP2 0.743243 0.958904
31 A12 0.743243 0.958904
32 ADP MG 0.736842 0.905405
33 SRA 0.736111 0.918919
34 ADQ 0.73494 0.945205
35 25L 0.732558 0.985915
36 ADP BEF 0.727273 0.881579
37 BEF ADP 0.727273 0.881579
38 5AL 0.725 0.931507
39 2A5 0.717949 0.918919
40 A1R 0.714286 0.907895
41 AU1 0.714286 0.972222
42 ADP PO3 0.708861 0.943662
43 PAP 0.708861 0.985714
44 ATR 0.708861 0.971429
45 SRP 0.707317 0.906667
46 25A 0.702381 0.971831
47 ATP MG 0.7 0.905405
48 OAD 0.697674 0.945205
49 ADV 0.6875 0.932432
50 RBY 0.6875 0.932432
51 00A 0.686047 0.883117
52 BIS 0.681818 0.933333
53 3OD 0.681818 0.945205
54 ADP ALF 0.674699 0.87013
55 ALF ADP 0.674699 0.87013
56 AMO 0.674419 0.932432
57 4AD 0.674419 0.92
58 PAJ 0.674419 0.884615
59 GAP 0.670732 0.893333
60 MAP 0.670588 0.945946
61 ADP VO4 0.666667 0.931507
62 DLL 0.666667 0.931507
63 AHX 0.666667 0.896104
64 ANP MG 0.666667 0.894737
65 PTJ 0.662921 0.896104
66 SON 0.658228 0.932432
67 PR8 0.651685 0.85
68 LAD 0.651685 0.860759
69 ITT 0.65 0.943662
70 G5P 0.648936 0.921053
71 XYA 0.647059 0.84507
72 RAB 0.647059 0.84507
73 ADN 0.647059 0.84507
74 NB8 0.644444 0.896104
75 ME8 0.644444 0.839506
76 FYA 0.644444 0.905405
77 TXA 0.644444 0.932432
78 1ZZ 0.644444 0.839506
79 6AD 0.642857 0.909091
80 ADP BMA 0.640449 0.918919
81 G3A 0.638298 0.921053
82 DAL AMP 0.632184 0.905405
83 AFH 0.631579 0.884615
84 GTA 0.625 0.886076
85 FA5 0.623656 0.906667
86 YAP 0.623656 0.894737
87 UP5 0.622449 0.92
88 XAH 0.617021 0.839506
89 AV2 0.616279 0.917808
90 AOC 0.615385 0.821918
91 NAI 0.606061 0.907895
92 DND 0.606061 0.932432
93 TXD 0.606061 0.907895
94 NAX 0.606061 0.873418
95 NXX 0.606061 0.932432
96 5N5 0.605634 0.819444
97 5AS 0.604938 0.77907
98 A4P 0.60396 0.843373
99 DAT 0.60241 0.905405
100 A2R 0.602273 0.985915
101 5CD 0.597222 0.805556
102 A4D 0.597222 0.819444
103 4TC 0.594059 0.896104
104 AP0 0.594059 0.896104
105 A3P 0.592593 0.971429
106 139 0.592233 0.873418
107 T5A 0.592233 0.841463
108 ATP A A A 0.589474 0.930556
109 LAQ 0.585859 0.839506
110 MYR AMP 0.585106 0.817073
111 YLP 0.58 0.819277
112 UPA 0.578431 0.907895
113 ADJ 0.576923 0.851852
114 3AM 0.576923 0.929577
115 COD 0.575472 0.811765
116 NAD 0.575472 0.931507
117 3AT 0.574713 0.971831
118 EP4 0.573333 0.753247
119 A2P 0.573171 0.957143
120 CNA 0.571429 0.932432
121 TYM 0.568627 0.906667
122 PPS 0.568182 0.873418
123 M2T 0.565789 0.734177
124 DTA 0.565789 0.786667
125 AR6 AR6 0.565657 0.917808
126 A3D 0.564815 0.918919
127 3DH 0.564103 0.773333
128 G5A 0.563218 0.77907
129 YLB 0.563107 0.819277
130 YLC 0.563107 0.839506
131 AMP DBH 0.561224 0.893333
132 MTA 0.558442 0.773333
133 DTP 0.556818 0.905405
134 AHZ 0.554455 0.817073
135 NA7 0.553191 0.958904
136 IOT 0.552381 0.831325
137 ZAS 0.55 0.766234
138 7MD 0.55 0.8625
139 IMO 0.548781 0.929577
140 YLA 0.54717 0.819277
141 NAE 0.544643 0.894737
142 TAD 0.544554 0.884615
143 A5A 0.544444 0.807229
144 2AM 0.544304 0.943662
145 TSB 0.543478 0.819277
146 AYB 0.542056 0.809524
147 NAQ 0.539823 0.871795
148 V3L 0.539326 0.971831
149 AF3 ADP 3PG 0.538462 0.8375
150 ALF ADP 3PG 0.538462 0.8375
151 LA8 ALF 3PG 0.538462 0.8375
152 SSA 0.538462 0.8
153 ZID 0.535088 0.918919
154 LPA AMP 0.533981 0.817073
155 54H 0.532609 0.788235
156 52H 0.532609 0.77907
157 VMS 0.532609 0.788235
158 BTX 0.53211 0.841463
159 A3N 0.53012 0.786667
160 BT5 0.527273 0.831325
161 5CA 0.526882 0.8
162 53H 0.526882 0.77907
163 ARU 0.526316 0.860759
164 EAD 0.525862 0.873418
165 RGT 0.525253 0.958904
166 OVE 0.52439 0.905405
167 S4M 0.52381 0.666667
168 GDP 0.522222 0.92
169 DDS 0.522222 0.878378
170 AVV 0.521277 0.896104
171 NDE 0.521008 0.932432
172 7MC 0.518868 0.841463
173 DSH 0.518072 0.725
174 MAO 0.517647 0.759036
175 NSS 0.515789 0.8
176 DSZ 0.515789 0.8
177 LSS 0.515789 0.761364
178 P5A 0.515464 0.744444
179 DZD 0.513514 0.884615
180 NVA LMS 0.510417 0.761364
181 12D 0.509615 0.785714
182 NAD IBO 0.509091 0.87013
183 M24 0.508772 0.85
184 YLY 0.508772 0.809524
185 P1H 0.508333 0.851852
186 5AD 0.506849 0.746479
187 LEU LMS 0.505155 0.761364
188 4TA 0.504505 0.807229
189 G A A A 0.504505 0.871795
190 NAJ PZO 0.504425 0.848101
191 NDC 0.5 0.871795
192 128 0.5 0.776471
193 A3G 0.5 0.8
194 KAA 0.5 0.752809
195 GSU 0.5 0.77907
196 N0B 0.495726 0.819277
197 NJP 0.495495 0.945946
198 ODP 0.495495 0.909091
199 2SA 0.494624 0.932432
200 6C6 0.494505 0.881579
201 SFG 0.494382 0.75
202 0WD 0.491071 0.921053
203 YSA 0.490196 0.77907
204 PO4 PO4 A A A A PO4 0.489796 0.902778
205 SAM 0.48913 0.690476
206 6IA 0.48913 0.8375
207 A7D 0.488636 0.776316
208 6FA 0.488 0.841463
209 FB0 0.487805 0.804598
210 NAJ PYZ 0.487179 0.85
211 A5D 0.483516 0.786667
212 IDP 0.483516 0.918919
213 SA8 0.483516 0.707317
214 PGS 0.483146 0.883117
215 MHZ 0.483146 0.697674
216 NEC 0.482353 0.746667
217 D5M 0.482353 0.878378
218 DA 0.482353 0.878378
219 NIA 0.481928 0.822785
220 FAD 0.480315 0.851852
221 FAS 0.480315 0.851852
222 FDA 0.48 0.833333
223 N6P 0.479592 0.915493
224 GGZ 0.479167 0.825
225 SAI 0.478261 0.734177
226 SAH 0.478261 0.74359
227 NDP 0.477477 0.921053
228 NPW 0.477477 0.886076
229 AAM 0.476744 0.971429
230 C2R 0.47561 0.90411
231 AMZ 0.47561 0.916667
232 A A A 0.474747 0.905405
233 GTP 0.473684 0.92
234 SMM 0.473684 0.686047
235 TXP 0.473214 0.921053
236 NZQ 0.473214 0.909091
237 A3S 0.47191 0.810811
238 AMP NAD 0.470588 0.881579
239 SFD 0.46875 0.734043
240 AIR 0.468354 0.901408
241 EEM 0.468085 0.690476
242 AAT 0.468085 0.707317
243 J7V 0.466667 0.833333
244 Z5A 0.466667 0.77907
245 FAY 0.462121 0.8625
246 ETB 0.461538 0.833333
247 A3T 0.461538 0.821918
248 DCA 0.461538 0.823529
249 A6D 0.46 0.722892
250 A U 0.459459 0.87013
251 6K6 0.459184 0.930556
252 GEK 0.459184 0.7375
253 RFL 0.458647 0.821429
254 NAP 0.458333 0.945205
255 S7M 0.458333 0.690476
256 WSA 0.454545 0.788235
257 TAP 0.454545 0.907895
258 FNK 0.454545 0.804598
259 COA 0.453782 0.823529
260 101 0.453488 0.878378
261 NA0 0.45082 0.932432
262 PA7 0.449438 0.708861
263 7RP 0.448276 0.928571
264 GP3 0.446809 0.921053
265 TM1 0.446602 0.77381
266 APU 0.446429 0.894737
267 PUA 0.445378 0.884615
268 V1N 0.443396 0.917808
269 7RA 0.443182 0.957747
270 AMX 0.442623 0.833333
271 COS 0.442623 0.804598
272 CAO 0.442623 0.795455
273 30N 0.442623 0.752688
274 QQY 0.44186 0.815789
275 ACK 0.44186 0.861111
276 0UM 0.44 0.698795
277 NHD 0.439655 0.905405
278 SCO 0.439024 0.823529
279 CMX 0.439024 0.823529
280 GCP 0.438776 0.896104
281 8BR 0.438202 0.906667
282 3AD 0.4375 0.805556
283 GNH 0.4375 0.907895
284 FAM 0.435484 0.804598
285 FCX 0.435484 0.795455
286 ACO 0.435484 0.795455
287 GNP 0.434343 0.896104
288 NMX 0.433071 0.76087
289 MGP 0.43299 0.884615
290 PLP AAD 0.432203 0.741573
291 26A 0.432099 0.763158
292 HAX 0.432 0.804598
293 K15 0.431373 0.682353
294 1DG 0.430894 0.921053
295 DG1 0.430894 0.921053
296 QQX 0.430233 0.805195
297 2VA 0.430108 0.8
298 2MC 0.429688 0.769231
299 FYN 0.428571 0.823529
300 P5F 0.428571 0.823529
301 U G A 0.427481 0.839506
302 RMB 0.426966 0.873239
303 FAI 0.426966 0.916667
304 1RB 0.425287 0.885714
305 SOP 0.425197 0.804598
306 OXK 0.425197 0.804598
307 COK 0.425197 0.804598
308 MCD 0.425197 0.804598
309 CA6 0.425197 0.729167
310 G1R 0.424242 0.907895
311 CC5 0.423077 0.816901
312 NOS 0.423077 0.791667
313 F2N 0.422535 0.813953
314 ANZ 0.422018 0.8
315 CMC 0.421875 0.804598
316 CO6 0.421875 0.804598
317 1VU 0.421875 0.795455
318 GDC 0.420561 0.884615
319 GDD 0.420561 0.884615
320 GKE 0.420561 0.884615
321 NFD 0.420168 0.883117
322 GSP 0.42 0.873418
323 D3Y 0.42 0.789474
324 MC4 0.419847 0.76087
325 3L1 0.419753 0.773333
326 3D1 0.419753 0.773333
327 FA9 0.41958 0.864198
328 G 0.419355 0.906667
329 5GP 0.419355 0.906667
330 SCD 0.418605 0.823529
331 CAJ 0.418605 0.804598
332 CMP 0.417582 0.901408
333 2BA 0.417582 0.915493
334 N01 0.416667 0.905405
335 MLC 0.415385 0.804598
336 3HC 0.415385 0.813953
337 1HE 0.415385 0.786517
338 NMN AMP PO4 0.415254 0.87013
339 2FA 0.414634 0.813333
340 MGO 0.414141 0.860759
341 3NZ 0.413462 0.782051
342 YE1 0.412214 0.813953
343 MCA 0.412214 0.795455
344 CAA 0.412214 0.813953
345 GAV 0.411765 0.884615
346 JLN 0.411111 0.890411
347 P2P 0.411111 0.902778
348 ZZB 0.410256 0.77381
349 CNV FAD 0.410072 0.793103
350 2CP 0.409091 0.795455
351 103 0.409091 0.837838
352 SCA 0.409091 0.804598
353 RP1 0.409091 0.842105
354 SP1 0.409091 0.842105
355 PAX 0.408 0.829268
356 FAD NBT 0.407143 0.75
357 NVA 2AD 0.40625 0.74359
358 IRC 0.406015 0.813953
359 3CP 0.406015 0.804598
360 COW 0.406015 0.795455
361 HGG 0.406015 0.804598
362 BYC 0.406015 0.804598
363 2KQ 0.406015 0.786517
364 COF 0.406015 0.786517
365 CA8 0.406015 0.729167
366 1GZ 0.406015 0.795455
367 G2P 0.405941 0.884615
368 SLU 0.404959 0.770115
369 RBZ 0.404494 0.849315
370 1CZ 0.404412 0.795455
371 FAQ 0.402985 0.804598
372 4CA 0.402985 0.795455
373 BCA 0.402985 0.795455
374 MTP 0.402439 0.730769
375 8OD 0.402062 0.945205
376 CO7 0.401515 0.804598
377 DAL FAD PER 0.401408 0.809524
378 GMV 0.4 0.896104
379 HXC 0.4 0.786517
380 ENQ 0.4 0.916667
381 G2R 0.4 0.884615
382 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ETH; Ligand: ATP; Similar sites found: 465
This union binding pocket(no: 1) in the query (biounit: 3eth.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3ORQ ADP 0.000000000002145 0.80527
2 4ME6 ADP 0.00000002055 0.72355
3 1AUX AGS 0.00000003449 0.64286
4 2VPQ ANP 0.00000003549 0.62113
5 2YW2 ATP 0.00000006516 0.61459
6 2YW2 ATP 0.0000001026 0.60621
7 3VPD ANP 0.0000001142 0.59696
8 3VPB ADP 0.000000027 0.58823
9 1EHI ADP 0.0000009054 0.57276
10 1GSA ADP 0.0000005849 0.57011
11 1GSA ADP 0.0000005849 0.57011
12 3WVR AMP 0.000003685 0.56696
13 1PK8 ATP 0.0000001078 0.5648
14 1I7L ATP 0.0000002193 0.56381
15 1I7L ATP 0.0000002193 0.56381
16 1PK8 ATP 0.0000001212 0.5632
17 4F1T H52 0.00002368 0.55499
18 1E4E ADP 0.000002747 0.55182
19 1IOW PHY 0.000004989 0.55136
20 1IOW ADP 0.000004989 0.55136
21 3WVR AMP 0.00000818 0.55088
22 3WVR AMP 0.00000818 0.55088
23 3T7A ADP 0.000008998 0.55073
24 2VQD AP2 0.000002089 0.55053
25 3VPC ADP 0.000001626 0.5489
26 3I0O ADP 0.00002812 0.53977
27 3I0O ADP 0.00002812 0.53977
28 2IF8 ADP 0.00005951 0.5387
29 3WVR AMP 0.00001562 0.53784
30 3WVR AMP 0.00001562 0.53784
31 1T36 ADP 0.0000001835 0.5375
32 4O2B ACP 0.000008811 0.52984
33 3OWL 19E 0.0001087 0.52923
34 2Q7D ANP 0.000001898 0.52704
35 4AZT LY2 0.00005966 0.52386
36 1KJ8 ATP 0.00000001128 0.52096
37 4KWP EXX 0.0001569 0.52092
38 2IO8 ADP 0.000003346 0.51923
39 4GYI ADP 0.00006695 0.51477
40 1KJ8 GAR 0.00000001252 0.51327
41 2Q7D ANP 0.000001648 0.51257
42 2Q7D ANP 0.000001648 0.51257
43 3OWK 18E 0.0002317 0.51166
44 2HGS ADP 0.00001529 0.51069
45 2VN9 GVD 0.0002174 0.50984
46 1W2D ADP 0.0001368 0.5063
47 3VOT ADP 0.000001116 0.50597
48 1W2D ADP 0.0001459 0.50494
49 3VOT ADP 0.000001298 0.5035
50 4DFU QUE 0.0002964 0.50294
51 2PUL ACP 0.00007442 0.50048
52 2PUL ACP 0.00007442 0.50048
53 3PFF ADP 0.00007823 0.4995
54 3PFF ADP 0.00007823 0.4995
55 3MB6 01I 0.0004137 0.49918
56 1M0W ANP 0.000005331 0.49592
57 3BRB ADP 0.0003065 0.49551
58 3RE4 TO1 0.0002833 0.49091
59 1O9U ADZ 0.0004652 0.48997
60 2VN9 GVD 0.0003967 0.48991
61 2PZI AXX 0.0002406 0.48837
62 1Q8Y ADE 0.0004561 0.48688
63 3BRB ADP 0.0005153 0.48423
64 3F7Z 34O 0.000299 0.48388
65 3CY2 MB9 0.0004075 0.48322
66 4DFU QUE 0.0005445 0.48304
67 2PZI AXX 0.0003131 0.48293
68 3RE4 TO1 0.0001886 0.48215
69 2CFM AMP 0.000449 0.48117
70 2PYW ADP 0.00009082 0.48084
71 4GLW 0XT 0.0006424 0.47945
72 2R7K AMZ 0.0001496 0.47857
73 2R7K ACP 0.0001496 0.47857
74 4OCV ANP 0.0001371 0.47806
75 2QK4 ATP 0.0000016 0.47685
76 4UWH JXM 0.000329 0.4764
77 1XR1 ANP 0.0001499 0.47637
78 4LH7 1X8 0.001136 0.47637
79 3TII ANP 0.000006493 0.47483
80 2QK4 ATP 0.000001648 0.47473
81 4F1O ACP 0.0005039 0.4731
82 2ZV2 609 0.0006657 0.47284
83 4F1M ACP 0.0004016 0.47238
84 3R0T FU9 0.00003064 0.47226
85 4E6Q 0NV 0.0001867 0.47223
86 4O4F ATP 0.0001555 0.47049
87 1IA9 ANP 0.0002081 0.47019
88 4GW8 3RA 0.0007724 0.46969
89 1ZTH ADP 0.0007848 0.46936
90 4O4F IHP 0.0001848 0.46925
91 4Q5H ANP 0.0002822 0.46921
92 4N70 2HX 0.0006283 0.46855
93 3ZRM ZRM 0.000326 0.46642
94 4AZW ATP 0.0001142 0.46601
95 4MQ1 2C3 0.0002034 0.46595
96 4GRB 0XG 0.0009347 0.46566
97 1ZTH ADP 0.00094 0.46554
98 4IZY 1J2 0.0002083 0.46551
99 4N6Z 2HW 0.0007507 0.46488
100 1I7E IBS 0.001994 0.46486
101 4MQ1 2C3 0.0002847 0.46427
102 1ZTH ADP 0.001005 0.46413
103 4BCQ TJF 0.001334 0.46359
104 2B9J ADP 0.0004868 0.46346
105 4E6Q 0NV 0.0002389 0.46297
106 4E6D 0NU 0.0003052 0.46296
107 3ALN ANP 0.0005178 0.46225
108 1OBD ATP 0.0008641 0.46197
109 1ZY5 ANP 0.0005303 0.46178
110 2A19 ANP 0.00115 0.46127
111 4F99 ADP 0.0005477 0.46114
112 1RE8 BD2 0.001037 0.46008
113 4IX4 ADP 0.0001662 0.46004
114 2PVF ACP 0.0005935 0.45956
115 4F9A ADP 0.0006255 0.45853
116 3JPV 1DR 0.002253 0.45774
117 4MBI 26K 0.001382 0.45738
118 4KBA 1QM 0.0005227 0.45732
119 3M2W L8I 0.0011 0.45698
120 1ZTH ADP 0.001112 0.45676
121 3KMW ATP 0.0007202 0.45575
122 3HMO STU 0.000739 0.45524
123 4NFN 2KC 0.0007652 0.45455
124 4K1B 1OC 0.0007977 0.45373
125 4MQ1 2C3 0.0003985 0.45352
126 2OIC STU 0.001311 0.45336
127 4OA2 ADP 0.0005219 0.45284
128 4E4N 0NL 0.0005224 0.45282
129 4JQE ANP 0.0006709 0.45251
130 4L3L 5FI 0.0006608 0.45237
131 4F9A ADP 0.0008609 0.45223
132 3LQV ADE 0.003446 0.45199
133 2QF7 AGS 0.000569 0.45198
134 1ZP9 ATP 0.001127 0.45156
135 2B9F ADP 0.0007445 0.4505
136 1CKM GTP 0.002453 0.45037
137 1CKM GTP 0.002453 0.45037
138 1Z2P ACP 0.000001393 0.45022
139 1Z2P I3S 0.000001393 0.45022
140 4IVD 15T 0.0004804 0.45007
141 4E4N 0NL 0.0007781 0.44965
142 3HZT J60 0.002064 0.44889
143 3AKK ADP 0.0002426 0.44885
144 2B9I ADP 0.000817 0.44871
145 1ZP9 ATP 0.001303 0.44865
146 3DNT ATP 0.0005132 0.44862
147 4IVD 15T 0.0005288 0.44829
148 4I94 ANP 0.001336 0.44813
149 3F7Z 34O 0.00107 0.44793
150 3GGF GVD 0.001731 0.44762
151 4KS7 X4Z 0.0003126 0.44734
152 2VAG V25 0.0008903 0.44705
153 2VZ6 FEF 0.002258 0.44699
154 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.003378 0.44637
155 2JDR L20 0.003378 0.44637
156 3VBQ 0F5 0.002189 0.44635
157 4F9C 0SX 0.001178 0.44604
158 4BBF O19 0.0001468 0.44553
159 2WQN ADP 0.00192 0.44548
160 4MQ1 2C3 0.0005064 0.44497
161 1TQP ATP 0.0002497 0.44496
162 3LQV ADE 0.00403 0.4448
163 2XB7 GUI 0.001955 0.44447
164 4BBF O19 0.0001663 0.44413
165 2YRX AMP 0.000009723 0.44349
166 2XMY CDK 0.003482 0.44336
167 2NRY STU 0.001702 0.44326
168 1XJD STU 0.001102 0.44294
169 1V0O INR 0.001115 0.44271
170 4CD0 AWJ 0.0005756 0.44265
171 4CCU AWF 0.001403 0.4426
172 2J90 IZA 0.0002702 0.44236
173 4I5C C5I 0.0003782 0.44228
174 4FG8 ATP 0.0007571 0.44166
175 3LXN MI1 0.000767 0.44142
176 2OIC STU 0.00189 0.44114
177 3V8T 477 0.002588 0.44107
178 3V8T 477 0.002588 0.44107
179 2FP4 GTP 0.0002401 0.44062
180 2NRY STU 0.001589 0.44014
181 4CLJ 5P8 0.001608 0.4399
182 3PE2 E1B 0.00007444 0.43969
183 4JPS 1LT 0.001653 0.43936
184 2NRY STU 0.001665 0.43922
185 2NRY STU 0.001674 0.43912
186 3EYG MI1 0.001088 0.43897
187 2VZ6 FEF 0.00265 0.43883
188 2Z7R STU 0.0007227 0.43853
189 4IVC 1J6 0.00112 0.43842
190 3GGF GVD 0.002162 0.43842
191 3GGF GVD 0.002162 0.43842
192 3V8S 0HD 0.0002507 0.43833
193 3DAK ANP 0.002202 0.43805
194 4E1Z 0MX 0.000544 0.43804
195 4KBA 1QM 0.002785 0.43779
196 4OH4 ANP 0.001463 0.43748
197 4BBF O19 0.0004744 0.43744
198 4IVC 1J6 0.001193 0.43724
199 3V8S 0HD 0.0002709 0.43717
200 4I94 ANP 0.001848 0.43717
201 4OTI MI1 0.001491 0.43711
202 2OIC STU 0.002932 0.43673
203 1ZP9 ATP 0.001904 0.43658
204 4FG8 ATP 0.0008131 0.4364
205 2WXG ZZN 0.001439 0.43627
206 4H3P ANP 0.0003719 0.43605
207 3BQC EMO 0.0008315 0.43599
208 2WU6 DKI 0.0005972 0.43593
209 3KAL ADP 0.00002538 0.43561
210 4BTK DTQ 0.0004307 0.43526
211 4LRJ ANP 0.002051 0.43511
212 2J51 DKI 0.002053 0.43509
213 4OAC ADP 0.001663 0.435
214 3AT4 CCK 0.0006309 0.43486
215 3WO0 ADP 0.000006564 0.43463
216 3WO0 ALA 0.000006564 0.43463
217 3PE1 3NG 0.000156 0.43456
218 4CTB KVC 0.0005456 0.43422
219 4BFM ANP 0.001146 0.43401
220 3DLS ADP 0.0001293 0.43398
221 1OPK P16 0.0009326 0.43391
222 4BBF O19 0.0004385 0.43382
223 4I5C C5I 0.0006135 0.43367
224 4RLL E91 0.007263 0.43356
225 1I82 BGC BGC 0.007322 0.43341
226 1Z45 GAL 0.0068 0.43309
227 2F2U M77 0.004379 0.43296
228 1ZP9 ATP 0.002297 0.43288
229 4JX7 1N6 0.003573 0.43265
230 1U59 STU 0.001899 0.43244
231 4HNF 16W 0.004491 0.43243
232 3DLS ADP 0.0001334 0.43223
233 4MWH ATP 0.001261 0.43223
234 4MWH ATP 0.001261 0.43223
235 4TWC 37J 0.002385 0.43213
236 3V8T 477 0.001398 0.43199
237 2XK9 XK9 0.002781 0.43193
238 4H3P ANP 0.0004973 0.43192
239 3TY5 ATP 0.004637 0.43175
240 4KBA 1QM 0.002452 0.43159
241 2V58 LZJ 0.000001247 0.43158
242 2P2H 994 0.00304 0.43155
243 1U5R ATP 0.002461 0.43151
244 1U5R ATP 0.002461 0.43151
245 1U5R ATP 0.001994 0.4315
246 4NM5 ADP 0.001185 0.43147
247 4NM5 ADP 0.001185 0.43147
248 4IEU 2CO 0.008344 0.43145
249 3GQI ACP 0.002005 0.43139
250 4IJP 1EH 0.0008607 0.43127
251 4CFU 2WC 0.003094 0.43119
252 4BCN T9N 0.003839 0.43116
253 3UDZ ADP 0.000657 0.43116
254 1GU3 BGC BGC BGC BGC BGC 0.007447 0.43106
255 2X4Z X4Z 0.002784 0.43068
256 4H3Q ANP 0.0007902 0.43068
257 4CNH 3U9 0.002083 0.43065
258 3ZBF VGH 0.003181 0.43063
259 2YMZ LAT 0.002318 0.4303
260 4K33 ACP 0.00173 0.43022
261 4X2J 3WN 0.003288 0.42996
262 4X2K 3WO 0.003288 0.42996
263 3LQ8 88Z 0.005571 0.42971
264 4OAV ACP 0.002737 0.42942
265 4F0F ACP 0.000301 0.42936
266 3A7H ATP 0.002754 0.4293
267 3A7H ATP 0.002754 0.4293
268 3DLS ADP 0.0001566 0.42912
269 1XK5 TPG 0.008493 0.4289
270 4IDT T28 0.002832 0.42874
271 4C58 824 0.002837 0.42871
272 3TY5 ADP 0.003543 0.42845
273 4JDI ANP 0.001549 0.42842
274 3AKK ADP 0.0005128 0.42789
275 3DLS ADP 0.0002752 0.42736
276 3DLS ADP 0.0002752 0.42736
277 4AU8 Z3R 0.005704 0.42735
278 4AU8 Z3R 0.005704 0.42735
279 3SLS ANP 0.001344 0.4273
280 2B9H ADP 0.0008451 0.42728
281 3C0I 3AM 0.001347 0.42725
282 4UAL 3FV 0.0007101 0.42722
283 2F2U M77 0.005741 0.42722
284 3A8W ATP 0.0007424 0.42721
285 2V7O DRN 0.00009756 0.42662
286 1XDN ATP 0.00392 0.42641
287 3DLS ADP 0.0002944 0.42634
288 3SLS ANP 0.00142 0.42629
289 2R5T ANP 0.00144 0.42604
290 2R5T ANP 0.00144 0.42604
291 3DLS ADP 0.0003141 0.42587
292 2AQX ATP 0.001459 0.42581
293 4TWC 37J 0.002189 0.42578
294 4KBA 1QM 0.002708 0.4256
295 4KBA 1QM 0.002708 0.4256
296 4GJ3 0XP 0.003032 0.42514
297 4BKY 82B 0.001524 0.42502
298 3UDZ ADP 0.0009704 0.42478
299 3UDZ ADP 0.0009704 0.42478
300 4AU8 Z3R 0.006499 0.42459
301 4BCN T9N 0.004318 0.42446
302 4PMT 31Y 0.002382 0.42418
303 4LRJ ANP 0.003581 0.42411
304 2YMZ LAT 0.00341 0.42398
305 4F65 0S9 0.005314 0.42391
306 2F57 23D 0.004453 0.42383
307 2QCS ANP 0.002386 0.42376
308 2R85 AMP 0.003281 0.42366
309 1CM8 ANP 0.003719 0.42336
310 3A8W ATP 0.0009235 0.42336
311 3A8W ATP 0.0009235 0.42336
312 1CM8 ANP 0.003733 0.42329
313 3EYH IZA 0.003058 0.42325
314 4AT3 LTI 0.003783 0.42303
315 4JR7 GNP 0.004689 0.42279
316 3IGO ANP 0.001743 0.42258
317 3QRC SCR 0.007361 0.42244
318 4MKC 4MK 0.002153 0.42234
319 4IJP 1EH 0.001428 0.42216
320 3LKM AMP 0.002671 0.42202
321 3QRC SCR 0.007405 0.42195
322 2X1E X1E 0.01143 0.42182
323 4NST ADP 0.0008738 0.42179
324 2R85 AMP 0.003745 0.42116
325 2RIO ADP 0.004172 0.4211
326 2BKK ADP 0.0006499 0.42109
327 3A7H ATP 0.01214 0.42052
328 3FHI ANP 0.002896 0.42017
329 4E4L 0NH 0.005375 0.42003
330 4QTC 38Z 0.0007301 0.41975
331 4E4L 0NH 0.005511 0.41953
332 2R5T ANP 0.00156 0.41931
333 4I6H 1C8 0.003762 0.41925
334 2OIC STU 0.006884 0.41907
335 4FVQ ATP 0.001726 0.41863
336 3FHR P4O 0.003272 0.41818
337 3QUP LUN 0.004871 0.41804
338 2WTV ZZL 0.002253 0.41794
339 3UDG TMP 0.006635 0.41772
340 3CXW 7CP 0.0008281 0.41763
341 1C1L GAL BGC 0.0134 0.4176
342 2PVN P63 0.0003322 0.41737
343 4C4F 7CE 0.002825 0.41732
344 1Q8Y ADP 0.002899 0.41684
345 4E4L 0NH 0.005256 0.41653
346 3TPV ADE 0.003572 0.41652
347 4FL3 ANP 0.002448 0.41643
348 3BI6 396 0.002487 0.41614
349 2OID ANP 0.005386 0.41605
350 3TDV GDP 0.004442 0.41604
351 2YAB AMP 0.001704 0.41599
352 4BHN BH9 0.002541 0.41576
353 2XVD AS6 0.004325 0.41568
354 1CKM GTP 0.003138 0.41537
355 1CKM GTP 0.003138 0.41537
356 1CKM GTP 0.003138 0.41537
357 4NST ADP 0.001297 0.41525
358 4K77 1Q4 0.01024 0.41494
359 3PLS ANP 0.0009719 0.41457
360 1MQB ANP 0.001759 0.41449
361 3SRV S19 0.0009622 0.41445
362 4FE2 ADP 0.008623 0.41441
363 3UZP 0CK 0.004891 0.41418
364 3TXO 07U 0.0009865 0.41392
365 3TXO 07U 0.0009865 0.41392
366 2Z4T LBT 0.04296 0.41383
367 3E5A VX6 0.001171 0.41379
368 4ANW O92 0.0002104 0.41379
369 4AUA 4AU 0.01656 0.41316
370 1V0O INR 0.00427 0.41315
371 2OFV 242 0.007416 0.4131
372 4NWM 2P5 0.01238 0.41295
373 3EKK GS2 0.002249 0.41281
374 3PDT ADP 0.007861 0.41234
375 2FCU AKG 0.01914 0.41233
376 3RI1 3RH 0.00108 0.41233
377 1YFX 4AA 0.01723 0.41227
378 3HAV ATP 0.004123 0.41206
379 4MK0 29X 0.003816 0.41185
380 4K77 1Q4 0.01451 0.41168
381 4BHN BH9 0.0039 0.41145
382 2WTV ZZL 0.003244 0.41133
383 3TDV GDP 0.005698 0.41123
384 3N1S 5GP 0.01009 0.41115
385 4CFU 2WC 0.0101 0.41112
386 4BCQ TJF 0.01228 0.41106
387 3HAV ATP 0.004742 0.41103
388 2FCU AKG 0.02033 0.41098
389 2OID ANP 0.005792 0.41091
390 3UIM ANP 0.00581 0.41085
391 4BCM T7Z 0.001378 0.41076
392 3KF4 B90 0.01045 0.41073
393 4D1J DGJ 0.01847 0.41071
394 2OID ANP 0.004954 0.41034
395 4G31 0WH 0.006004 0.41021
396 4CCB OFG 0.001837 0.40979
397 4CMO YPW 0.001423 0.40932
398 2CSN CKI 0.0012 0.40851
399 3EQR T74 0.005442 0.40847
400 3EQR T74 0.005442 0.40847
401 1SKJ UR2 0.01394 0.40836
402 2V58 LZJ 0.00001269 0.40815
403 3N1S 5GP 0.01173 0.40802
404 4HNF 16W 0.008089 0.40801
405 4MXO DB8 0.01956 0.40779
406 2HW1 FRU 0.02395 0.40762
407 2JLD AG1 0.0002847 0.40752
408 4EHZ JAK 0.01204 0.40749
409 3N1S 5GP 0.009992 0.40749
410 4D1J DGJ 0.02144 0.40735
411 3C0H AMP 0.0003558 0.40712
412 2WTV ZZL 0.003213 0.40704
413 4FOB 0US 0.003211 0.40669
414 2OCI TYC 0.02351 0.40663
415 4CMT GWH 0.003518 0.40656
416 2XNM WGZ 0.000534 0.40652
417 3PVW QRX 0.001403 0.40642
418 3UZP 0CK 0.006263 0.40591
419 3UZP 0CK 0.006263 0.40591
420 4CNH 3U9 0.01569 0.40585
421 4LOO SB4 0.007572 0.40573
422 2C5U APC 0.006375 0.40557
423 4PU5 ANP 0.003548 0.40536
424 3IDB ANP 0.003452 0.40524
425 2H8H H8H 0.007811 0.40512
426 3H9R TAK 0.01963 0.40506
427 4B1W LAB 0.01629 0.40505
428 4F4P 0SB 0.01627 0.40489
429 4CQE CQE 0.003498 0.40484
430 4OTH DRN 0.002117 0.40475
431 2BKK ADP 0.001046 0.40446
432 3EQR T74 0.006322 0.40417
433 1PHK ATP 0.003229 0.40403
434 3UYT 0CK 0.006942 0.40396
435 1AV5 AP2 0.01433 0.40387
436 3KN5 ANP 0.002451 0.40364
437 2YAK OSV 0.0007653 0.40361
438 3KRL KRL 0.004996 0.4035
439 4OH4 ANP 0.007143 0.40342
440 1JI0 ATP 0.02569 0.40328
441 4EHZ JAK 0.01479 0.40321
442 3SRV S19 0.001321 0.40299
443 4B1V LAB 0.01797 0.40296
444 3TKI S25 0.006256 0.40278
445 3UYT 0CK 0.007413 0.40271
446 1W2D 4IP 0.001574 0.40258
447 2OID ANP 0.01273 0.40257
448 3DAK ANP 0.008917 0.40256
449 3DAK ANP 0.008917 0.40256
450 3Q9T FAY 0.01514 0.40249
451 4PNI KQQ 0.001065 0.40236
452 2JLD AG1 0.0003078 0.40227
453 3FC2 IBI 0.0007213 0.4021
454 3SXS PP2 0.00643 0.40209
455 4EHZ JAK 0.01571 0.40195
456 4U44 3D9 0.003058 0.40186
457 4U44 3D9 0.003058 0.40186
458 4O1P ANP 0.002214 0.40185
459 3KN5 ANP 0.001492 0.40168
460 4EUU BX7 0.001904 0.40164
461 3ALN ANP 0.006587 0.40164
462 3N1S 5GP 0.01335 0.40161
463 4O1P ANP 0.002928 0.40135
464 1XV5 UDP 0.01137 0.40126
465 4CTA ATP 0.00755 0.40089
Pocket No.: 2; Query (leader) PDB : 3ETH; Ligand: ATP; 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: 3eth.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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