Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:401;
A:402;
B:401;
B:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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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: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ETH; Ligand: ATP; Similar sites found: 323
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) Sequence Similarity
1 5AWM ANP 0.002544 0.44446 1.40845
2 3TXO 07U 0.0009865 0.41392 1.41643
3 4BTK DTQ 0.0004307 0.43526 1.48368
4 4BFM ANP 0.001146 0.43401 1.49701
5 1I7L ATP 0.0000002193 0.56381 1.61812
6 4NFN 2KC 0.0007652 0.45455 1.61812
7 1EHI ADP 0.0000009054 0.57276 1.69014
8 1PK8 ATP 0.0000001212 0.5632 1.69014
9 2PYW ADP 0.00009082 0.48084 1.69014
10 1Z45 GAL 0.0068 0.43309 1.69014
11 2RIO ADP 0.004172 0.4211 1.69014
12 4ANW O92 0.0002104 0.41379 1.69014
13 5LI1 ANP 0.002908 0.41331 1.69492
14 2PVN P63 0.0003322 0.41737 1.70455
15 5LI9 ACP 0.0006584 0.44845 1.71429
16 1U5R ATP 0.002461 0.43151 1.72414
17 5USZ SKE 0.001442 0.40121 1.7301
18 3PE2 E1B 0.0002849 0.48659 1.78042
19 2PVF ACP 0.0005935 0.45956 1.79641
20 1XDN ATP 0.00392 0.42641 1.80505
21 2F57 23D 0.004453 0.42383 1.89274
22 3RI1 3RH 0.00108 0.41233 1.91693
23 4Y0X ADP 0.00005216 0.51353 1.97183
24 5N0F 7K2 0.003784 0.44834 1.97183
25 3V8S 0HD 0.0002507 0.43833 1.97183
26 1CM8 ANP 0.003733 0.42329 1.97183
27 4D1J DGJ 0.01847 0.41071 1.97183
28 4YMJ 4EJ 0.0004683 0.49504 1.97368
29 3GGF GVD 0.002162 0.43842 1.99336
30 4IX4 ADP 0.0001662 0.46004 2
31 1E4E ADP 0.000002747 0.55182 2.04082
32 4KS7 X4Z 0.0003126 0.44734 2.05479
33 1U59 STU 0.001899 0.43244 2.09059
34 4DFU QUE 0.0002964 0.50294 2.17391
35 5C4L 4XR 0.0007741 0.4509 2.18069
36 5C4L SIS 0.008778 0.40506 2.18069
37 5DZT AMP 0.0001371 0.52405 2.25352
38 2PUL ACP 0.00007442 0.50048 2.25352
39 4XH0 ADP 0.001151 0.47443 2.25352
40 5MW8 ATP 0.0003196 0.45534 2.25352
41 5DMZ ADP 0.006683 0.40814 2.25352
42 5NCY 8TK 0.00063 0.40808 2.25352
43 4I6H 1C8 0.003762 0.41925 2.27273
44 4RDL FUC GAL NDG FUC 0.01742 0.41521 2.27273
45 5MJA 7O3 0.002092 0.43909 2.29508
46 4JDI ANP 0.001549 0.42842 2.31214
47 3DLS ADP 0.0002752 0.42736 2.38806
48 5D3X 4IP 0.01378 0.40661 2.39521
49 4O4F ATP 0.0001728 0.44417 2.41935
50 4O4F IHP 0.0001911 0.43649 2.41935
51 1V0O INR 0.00427 0.41315 2.43056
52 2IF8 ADP 0.00005951 0.5387 2.47934
53 2Z7R STU 0.0007227 0.43853 2.49221
54 2IO8 ADP 0.000003346 0.51923 2.53521
55 4OCV ANP 0.0001371 0.47806 2.53521
56 3WO0 ALA 0.000006564 0.43463 2.53521
57 4IDT T28 0.002832 0.42874 2.53521
58 5M77 7K2 7K3 0.01056 0.41021 2.53521
59 4PU5 ANP 0.003548 0.40536 2.53521
60 1AV5 AP2 0.01433 0.40387 2.53521
61 4FG8 ATP 0.0007571 0.44166 2.53968
62 3QRC SCR 0.007361 0.42244 2.54777
63 2B9J ADP 0.0004868 0.46346 2.54958
64 2B9F ADP 0.0007445 0.4505 2.54958
65 2B9I ADP 0.000817 0.44871 2.54958
66 2B9H ADP 0.0008451 0.42728 2.54958
67 1RE8 BD2 0.001092 0.46008 2.57143
68 3OFM 4B0 0.0003119 0.42122 2.57143
69 5JKG 6LF 0.003591 0.42934 2.57235
70 5FBN 5WF 0.01039 0.4043 2.58303
71 4AUA 4AU 0.005288 0.41641 2.60586
72 1XJD STU 0.001315 0.43539 2.6087
73 3HMO STU 0.000739 0.45524 2.63158
74 4USF 6UI 0.004952 0.40707 2.63158
75 3I0O ADP 0.00002812 0.53977 2.65487
76 4I94 ANP 0.001848 0.43717 2.66667
77 2X4Z X4Z 0.002784 0.43068 2.7027
78 1CKM GTP 0.003138 0.41537 2.72727
79 2QCS ANP 0.002386 0.42376 2.74914
80 2OCI TYC 0.02351 0.40663 2.75591
81 3VOT ADP 0.000001116 0.50597 2.8169
82 3ZRM ZRM 0.000326 0.46642 2.8169
83 2WU6 DKI 0.0005972 0.43593 2.8169
84 3KAL ADP 0.00002538 0.43561 2.8169
85 4L9I 8PR 0.00369 0.42352 2.8169
86 4YZC STU 0.008435 0.41174 2.8169
87 2JLD AG1 0.0003078 0.40227 2.8169
88 5LXM ADP 0.004368 0.42019 2.82686
89 3F7Z 34O 0.001363 0.43884 2.85714
90 2Q7D ANP 0.000001648 0.51257 2.89017
91 5X8I SQZ 0.0008128 0.44881 2.89017
92 1AUX AGS 0.00000003449 0.64286 2.89389
93 5VCV 1N1 0.002704 0.40431 2.89389
94 4ZS4 ATP 0.002504 0.42324 2.9316
95 2V7O DRN 0.00009756 0.42662 2.97619
96 4BHN BH9 0.003308 0.4144 2.99401
97 3ALN ANP 0.006587 0.40164 3.0581
98 3UIM ANP 0.00581 0.41085 3.06748
99 4IJP 1EH 0.0008607 0.43127 3.09859
100 5CKW ANP 0.0007542 0.4702 3.10421
101 1GSA ADP 0.0000005849 0.57011 3.16456
102 2HGS ADP 0.00001529 0.51069 3.16456
103 4D2S DYK 0.001314 0.45332 3.16901
104 5HVJ ANP 0.001244 0.47298 3.1746
105 2VZ6 FEF 0.00265 0.43883 3.19489
106 5LVP ATP 0.001303 0.40329 3.21543
107 4A4X JUP 0.0008686 0.4138 3.22581
108 3PDT ADP 0.007861 0.41234 3.27273
109 5IQD RIO 0.003746 0.42853 3.27869
110 5IQD GNP 0.003531 0.42853 3.27869
111 5HX8 66P 0.001725 0.40447 3.31126
112 2VN9 GVD 0.0003967 0.48991 3.32226
113 5FQK 6NT 0.01666 0.4147 3.34572
114 5JZJ AN2 0.002759 0.42926 3.367
115 4U98 ACP 0.0000007696 0.59057 3.38028
116 2Z4T LBT 0.04296 0.41383 3.38028
117 4LOO SB4 0.007572 0.40573 3.38028
118 2H8H H8H 0.007811 0.40512 3.38028
119 4B1W LAB 0.01629 0.40505 3.38028
120 3C0G 3AM 0.0005286 0.47212 3.4188
121 3DAK ANP 0.002202 0.43805 3.44828
122 5JSP DQY 0.01904 0.41208 3.48259
123 4Y8D 49J 0.003484 0.42073 3.57143
124 5M06 ADP 0.001928 0.44074 3.62319
125 3DNT ATP 0.0005132 0.44862 3.63636
126 3TPV ADE 0.003572 0.41652 3.63636
127 4UX9 ANP 0.0002935 0.45917 3.66197
128 2R5T ANP 0.00144 0.42604 3.66197
129 5LXC 7AA 0.0005529 0.41903 3.66197
130 3KRL KRL 0.004996 0.4035 3.66197
131 4CLI 5P8 0.001772 0.4485 3.66972
132 1I82 BGC BGC 0.007322 0.43341 3.7037
133 1JI0 ATP 0.02569 0.40328 3.75
134 4ZGP ADP 0.0002025 0.48076 3.75427
135 3CY2 MB9 0.001897 0.41548 3.82166
136 2FCU AKG 0.01914 0.41233 3.83387
137 5L8L ADP 0.006042 0.42613 3.85965
138 5JFS 6K0 0.01689 0.40134 3.8961
139 4OH4 ANP 0.001463 0.43748 3.9039
140 5LPZ ADP 0.0008435 0.44809 3.91566
141 4FL3 ANP 0.002448 0.41643 3.94366
142 4PPF FLC 0.0305 0.41228 4
143 1Z2P ACP 0.000001393 0.45022 4.01235
144 1Z2P I3S 0.000001393 0.45022 4.01235
145 3M2W L8I 0.0011 0.45698 4.01338
146 3FHR P4O 0.003272 0.41818 4.16667
147 2PZI AXX 0.0002406 0.48837 4.22535
148 2R7K AMZ 0.0001496 0.47857 4.22535
149 4LH7 1X8 0.001136 0.47637 4.22535
150 4H3P ANP 0.0004973 0.43192 4.22535
151 4H3Q ANP 0.0007902 0.43068 4.22535
152 3RE4 TO1 0.0002833 0.49091 4.26357
153 1ZTH ADP 0.00094 0.46554 4.26357
154 1ZP9 ATP 0.001303 0.44865 4.26357
155 1IA9 ANP 0.0002081 0.47019 4.28571
156 2XK9 XK9 0.002781 0.43193 4.34783
157 5LPB ADP 0.003147 0.43996 4.39189
158 5COU ATP 0.001259 0.40864 4.41176
159 2R85 AMP 0.003745 0.42116 4.49102
160 1Q8Y ADE 0.0004561 0.48688 4.50704
161 2CFM AMP 0.000449 0.48117 4.50704
162 3HZT J60 0.002064 0.44889 4.50704
163 4XV1 904 0.00121 0.44525 4.50704
164 2YRX AMP 0.000009723 0.44349 4.50704
165 4WOV 3SM 0.004515 0.4278 4.50704
166 1Q8Y ADP 0.002899 0.41684 4.50704
167 5H9Q TD2 0.005937 0.42618 4.51613
168 5DA3 58V 0.006599 0.42426 4.5283
169 4R78 AMP 0.003365 0.4435 4.53074
170 4L3L 5FI 0.0006608 0.45237 4.60526
171 4IZY 1J2 0.0002083 0.46551 4.60705
172 3UDG TMP 0.006635 0.41772 4.65116
173 5C03 AGS 0.0006453 0.45326 4.67836
174 3HAV ATP 0.004742 0.41103 4.68227
175 4OTH DRN 0.0007281 0.43839 4.69208
176 4AZT LY2 0.00005966 0.52386 4.78873
177 4AZW ATP 0.0001142 0.46601 4.78873
178 4JR7 GNP 0.0009214 0.44639 4.78873
179 5VLQ ANP 0.000001204 0.40297 4.78873
180 3KMW ATP 0.0007202 0.45575 4.79705
181 1O9U ADZ 0.0004652 0.48997 4.85714
182 3NW7 LGV 0.01052 0.41532 4.88599
183 3GQI ACP 0.002005 0.43139 4.90798
184 3KN5 ANP 0.001492 0.40168 4.92308
185 5IDB MAN 0.01826 0.42434 4.92958
186 5IDB BMA 0.01826 0.42434 4.92958
187 3TKI S25 0.003681 0.44142 4.95356
188 2HY0 306 0.008715 0.41419 4.96894
189 1PHK ATP 0.003229 0.40403 5.03356
190 3SRV S19 0.0009622 0.41445 5.05415
191 4F4P 0SB 0.02681 0.40489 5.12821
192 5UOX 8GY 0.002325 0.41737 5.16605
193 3FHI ANP 0.002896 0.42017 5.19481
194 3E5A VX6 0.001171 0.41379 5.22388
195 1IOW PHY 0.000004989 0.55136 5.22876
196 1IOW ADP 0.000004989 0.45129 5.22876
197 4EUU BX7 0.001904 0.40164 5.32915
198 4WW7 AMP 0.0001082 0.47291 5.34759
199 3TY5 ATP 0.004637 0.43175 5.35211
200 3TY5 ADP 0.003543 0.42845 5.35211
201 2CSN CKI 0.0012 0.40851 5.35211
202 4U44 3D9 0.003058 0.40186 5.42169
203 5EXK 5AD 0.01506 0.41584 5.43807
204 5DBX ANP 0.008335 0.41511 5.4878
205 4YZN 4K5 0.003233 0.40666 5.57491
206 3SLS ANP 0.001344 0.4273 5.59211
207 5EFQ ADP 0.001038 0.44408 5.59701
208 4NST ADP 0.001297 0.41525 5.59701
209 4XLI 1N1 0.002126 0.4344 5.6338
210 2X1E X1E 0.01143 0.42182 5.6338
211 5OO5 UUA 0.00647 0.41243 5.64516
212 3VPC ADP 0.000001626 0.5489 5.67376
213 2AQX ATP 0.001459 0.42581 5.88235
214 5T8O 76Z 0.005276 0.40575 5.91549
215 1XV5 UDP 0.01137 0.40126 5.91549
216 2VPQ ANP 0.00000003549 0.62113 5.9867
217 1TQP ATP 0.0002497 0.44496 6.02837
218 3PLS ANP 0.0009719 0.41457 6.04027
219 1UYY BGC BGC 0.02415 0.40467 6.10687
220 2WQN ADP 0.00192 0.44548 6.12903
221 3WVR AMP 0.00001562 0.53784 6.19718
222 5I35 ANP 0.0001103 0.49272 6.19718
223 5W4W 9WG 0.0007505 0.42554 6.19718
224 3Q9T FAY 0.01514 0.40249 6.19718
225 4O1P ANP 0.002928 0.40135 6.19718
226 4KBA 1QM 0.001417 0.40006 6.19718
227 3TDV GDP 0.005698 0.41123 6.20915
228 2XVD AS6 0.004325 0.41568 6.29139
229 5KO1 6UY 0.001468 0.44171 6.36042
230 2YW2 ATP 0.00000006516 0.61459 6.47887
231 5LXT ACP 0.000007928 0.5114 6.47887
232 1M0W ANP 0.000005331 0.49592 6.47887
233 2BKK ADP 0.001046 0.40446 6.50888
234 4E1Z 0MX 0.000544 0.43804 6.52921
235 5VC5 96M 0.0005308 0.41602 6.57439
236 4CFU 2WC 0.003094 0.43119 6.60066
237 4BCQ TJF 0.01228 0.41106 6.64452
238 4BCM T7Z 0.001378 0.41076 6.64452
239 4BCN T9N 0.003839 0.43116 6.66667
240 5DG2 GAL GLC 0.002417 0.42641 6.66667
241 2V58 LZJ 0.000001247 0.43158 6.68151
242 2ZV2 609 0.0006657 0.47284 6.71141
243 2XMY CDK 0.004849 0.44336 6.71141
244 2HW1 FRU 0.02395 0.40762 6.71141
245 4OAV ACP 0.002737 0.42942 6.72389
246 4X7Q 3YR 0.002319 0.42859 6.73077
247 4XYM A12 0.00001648 0.51802 6.76056
248 4GYI ADP 0.00006695 0.51477 6.76056
249 3IDB ANP 0.003452 0.40524 6.8323
250 2VQD AP2 0.000002089 0.55053 6.89655
251 3UDZ ADP 0.000657 0.43116 6.89655
252 5VZ0 ADP 0.000001297 0.58029 7.04225
253 2A19 ANP 0.00115 0.46127 7.04225
254 5DXT 5H5 0.0006954 0.44742 7.04225
255 5FI4 5XV 0.001021 0.43601 7.04225
256 3VPD ANP 0.0000001142 0.59696 7.11744
257 1W2D ADP 0.0001368 0.5063 7.16981
258 1W2D 4IP 0.001574 0.40258 7.16981
259 4MV1 ADP 0.0003725 0.40335 7.26496
260 4WNP 3RJ 0.001971 0.44493 7.31707
261 1GU3 BGC BGC BGC BGC BGC 0.007447 0.43106 7.38255
262 5UIU 8CG 0.002606 0.42661 7.43034
263 5C1P ADP 0.000008807 0.55664 7.51634
264 1OBD ATP 0.0008641 0.46197 7.51634
265 5C1P DAL DAL 0.00008988 0.45397 7.51634
266 3TII ANP 0.000006493 0.47483 7.60563
267 2F2U M77 0.004379 0.43296 7.60563
268 2QK4 ATP 0.0000016 0.47685 7.74336
269 1XK5 TPG 0.008493 0.4289 7.84314
270 4YLL 4E3 0.0008224 0.43813 7.88732
271 4K33 ACP 0.00173 0.43022 8
272 4UAL 3FV 0.0007101 0.42722 8.16901
273 5U6C 7YS 0.003542 0.40974 8.25397
274 3AKK ADP 0.0002426 0.44885 8.30769
275 4F9C 0SX 0.001178 0.44604 8.33333
276 5HQ0 LZ9 0.0008128 0.44035 8.33333
277 4CTA ATP 0.00755 0.40089 8.37563
278 3X01 AMP 0.0001543 0.52035 8.73239
279 5HZX 2GE 0.0149 0.40695 9.09091
280 2QF7 AGS 0.000569 0.45198 9.29577
281 4CC6 L5Y 0.0006575 0.47894 9.43396
282 5W2I I3P 0.001085 0.41898 9.57747
283 5W2I ADP 0.001085 0.41898 9.57747
284 3LXN MI1 0.000767 0.44142 9.74843
285 5TDF ADP 0.00002453 0.49367 10.1408
286 4GJ3 0XP 0.003032 0.42514 10.2649
287 1ZY5 ANP 0.0005303 0.46178 10.4225
288 3IGO ANP 0.001743 0.42258 10.4225
289 4AU8 Z3R 0.006499 0.42459 10.473
290 4ME6 ADP 0.00000002055 0.72355 10.7042
291 5MY8 RXZ 0.001883 0.40599 10.705
292 1I7E IBS 0.001994 0.46486 10.9434
293 4FE2 ADP 0.008623 0.41441 10.9859
294 5TA6 79D 0.0007103 0.41231 10.9859
295 3H9R TAK 0.01963 0.40506 11.0092
296 2YAB AMP 0.001704 0.41599 11.2676
297 1T36 ADP 0.0000001835 0.5375 11.5183
298 2OFV 242 0.007416 0.4131 11.5523
299 3N1S 5GP 0.01009 0.41115 11.7647
300 4GLW 0XT 0.0006424 0.47945 11.8033
301 4LRJ ANP 0.003581 0.42411 11.8343
302 4NZN ANP 0.000005004 0.41401 12.6761
303 4NZN 2OU 0.000005004 0.41401 12.6761
304 5G1X ADP 0.005635 0.41516 12.6984
305 4Q5H ANP 0.0002822 0.46921 12.8205
306 3LQV ADE 0.00403 0.4448 12.8205
307 4UWH JXM 0.000329 0.4764 12.9577
308 2YAK OSV 0.0007653 0.40361 13.3333
309 3SXS PP2 0.00643 0.40209 13.4328
310 3PVW QRX 0.001403 0.40642 13.5135
311 1C1L GAL BGC 0.0134 0.4176 13.8686
312 5A6N U7E 0.0002356 0.44922 14.841
313 5BWD FUM 0.01559 0.4166 18.3333
314 4WVW SLT 0.01096 0.41801 18.75
315 4B1V LAB 0.01797 0.40296 18.75
316 4NM5 ADP 0.0004294 0.44137 20.8333
317 3VPB ADP 0.000000027 0.58823 23.2143
318 2YMZ LAT 0.00341 0.42398 26.1538
319 1WW5 SGA BGC 0.01914 0.41246 26.875
320 1KJ8 ATP 0.00000001128 0.52096 35.7746
321 1KJ8 GAR 0.00000001252 0.51327 35.7746
322 5K2M ADP 0.0000000695 0.6117 35.8491
323 3ORQ ADP 0.000000000002145 0.80527 43.2361
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) Sequence Similarity
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