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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...
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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 SYNTHETAS 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: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
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 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
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 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ETH; Ligand: ATP; Similar sites found with APoc: 467
This union binding pocket(no: 1) in the query (biounit: 3eth.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5Y86 HRM 1.12676
2 5AWM ANP 1.40845
3 4E93 GUI 1.40845
4 3TXO 07U 1.41643
5 1SO0 GAL 1.45349
6 4BTK DTQ 1.48368
7 4BFM ANP 1.49701
8 4QMN DB8 1.6129
9 1I7L ATP 1.61812
10 4NFN 2KC 1.61812
11 1VJY 460 1.65016
12 1EHI ADP 1.69014
13 1PK8 ATP 1.69014
14 6AC9 ANP 1.69014
15 2PYW ADP 1.69014
16 4DC2 ADE 1.69014
17 6C1S EFV 1.69014
18 1Z45 GAL 1.69014
19 2RIO ADP 1.69014
20 5XHA FRU 1.69014
21 5LI1 ANP 1.69492
22 2PVN P63 1.70455
23 5LI9 ACP 1.71429
24 1U5R ATP 1.72414
25 5USZ SKE 1.7301
26 3PE2 E1B 1.78042
27 2PVF ACP 1.79641
28 1XDN ATP 1.80505
29 3GC0 AMP 1.82371
30 2F57 23D 1.89274
31 3RI1 3RH 1.91693
32 3BU5 ATP 1.96078
33 1IR3 ANP 1.96078
34 4Y0X ADP 1.97183
35 3V8S 0HD 1.97183
36 5N0F 7K2 1.97183
37 3VHE 42Q 1.97183
38 4ONA UW1 1.97183
39 1CM8 ANP 1.97183
40 4WNK 453 1.97183
41 4D1J DGJ 1.97183
42 3VSV XYP 1.97183
43 4YMJ 4EJ 1.97368
44 3GGF GVD 1.99336
45 4IX4 ADP 2
46 1S68 AMP 2.00803
47 6CQF F97 2.0202
48 1E4E ADP 2.04082
49 4KS7 X4Z 2.05479
50 1U59 STU 2.09059
51 4C2V YJA 2.10526
52 5TO8 7FM 2.12766
53 4DFU QUE 2.17391
54 3AQV TAK 2.17391
55 5C4L 4XR 2.18069
56 6CMJ F6J 2.18069
57 5C4L SIS 2.18069
58 5OES ADP 2.25352
59 5DZT AMP 2.25352
60 2PUL ACP 2.25352
61 4XH0 ADP 2.25352
62 4PZ6 GMP 2.25352
63 5MW8 ATP 2.25352
64 6EZ6 C5Z 2.25352
65 5AE9 OKO 2.25352
66 4P5Z Q7M 2.25352
67 3VSS FRU 2.25352
68 5DMZ ADP 2.25352
69 4I6H 1C8 2.27273
70 4RDL FUC GAL NDG FUC 2.27273
71 5MJA 7O3 2.29508
72 3DLS ADP 2.38806
73 5D3X 4IP 2.39521
74 4O4F ATP 2.41935
75 4O4F IHP 2.41935
76 1V0O INR 2.43056
77 2IF8 ADP 2.47934
78 2Z7R STU 2.49221
79 2IO8 ADP 2.53521
80 4OCV ANP 2.53521
81 4OCJ NDG 2.53521
82 3WO0 ADP 2.53521
83 3WO0 ALA 2.53521
84 4IDT T28 2.53521
85 5M77 7K2 7K3 2.53521
86 5FPN KYD 2.53521
87 4PU5 ANP 2.53521
88 1AV5 AP2 2.53521
89 3Q60 ATP 2.53521
90 4FG8 ATP 2.53968
91 3QRC SCR 2.54777
92 2B9J ADP 2.54958
93 2B9F ADP 2.54958
94 2B9I ADP 2.54958
95 2B9H ADP 2.54958
96 1RE8 BD2 2.57143
97 5JKG 6LF 2.57235
98 3ORK AGS 2.57235
99 4AUA 4AU 2.60586
100 1XJD STU 2.6087
101 3HMO STU 2.63158
102 4USF 6UI 2.63158
103 3I0O ADP 2.65487
104 4I94 ANP 2.66667
105 2GU8 796 2.67062
106 1CKM GTP 2.72727
107 5XVG 8FX 2.73038
108 5EQY 5RA 2.74314
109 2QCS ANP 2.74914
110 3VOT ADP 2.8169
111 2JLD AG1 2.8169
112 3ZRM ZRM 2.8169
113 2WU6 DKI 2.8169
114 3KAL ADP 2.8169
115 4L9I 8PR 2.8169
116 4WB7 ATP 2.8169
117 4YZC STU 2.8169
118 4PNI KQQ 2.8169
119 4CYI ATP 2.8169
120 5LXM ADP 2.82686
121 3F7Z 34O 2.85714
122 4WB6 ATP 2.85714
123 5N87 N66 2.8754
124 2Q7D ANP 2.89017
125 5X8I SQZ 2.89017
126 1AUX AGS 2.89389
127 5VCV 1N1 2.89389
128 3NV3 GAL NAG MAN 2.89855
129 3EKK GS2 2.9316
130 4ZS4 ATP 2.9316
131 6G33 5ID 2.94985
132 2GQS ADP 2.95359
133 2GQR ADP 2.95359
134 1IS3 LAT 2.96296
135 2V7O DRN 2.97619
136 4BHN BH9 2.99401
137 3ALN ANP 3.0581
138 5W75 SUC 3.06122
139 3UIM ANP 3.06748
140 4IJP 1EH 3.09859
141 6FYL 3NG 3.09859
142 5CKW ANP 3.10421
143 4UXL 5P8 3.10559
144 1GSA ADP 3.16456
145 2HGS ADP 3.16456
146 5GLT BGC GAL NAG GAL 3.16901
147 5HVJ ANP 3.1746
148 2VZ6 FEF 3.19489
149 5LVP ATP 3.21543
150 3RWP ABQ 3.21543
151 4A4X JUP 3.22581
152 5NKB 8ZT 3.26797
153 3PDT ADP 3.27273
154 4EWH T77 3.27273
155 6CGD GNP 3.27869
156 6CGD AKN 3.27869
157 5WO4 B7V 3.31126
158 2VN9 GVD 3.32226
159 5FQK 6NT 3.34572
160 5JZJ AN2 3.367
161 4U98 ACP 3.38028
162 1OUK 084 3.38028
163 2Z4T LBT 3.38028
164 2W92 NGT 3.38028
165 4B1W LAB 3.38028
166 1Y57 MPZ 3.38028
167 3C0G 3AM 3.4188
168 3TM0 B31 3.42205
169 3TM0 ANP 3.42205
170 3DAK ANP 3.44828
171 5JSP DQY 3.48259
172 5EH0 5NW 3.48837
173 6GWR FEW 3.49206
174 5JGA 6KC 3.49206
175 5YK1 ANP 3.53982
176 6E8I PTR 3.5503
177 6FYV 3NG 3.56083
178 4Y8D 49J 3.57143
179 5M06 ADP 3.62319
180 3DNT ATP 3.63636
181 3TPV ADE 3.63636
182 4N70 2HX 3.65854
183 4UX9 ANP 3.66197
184 1OPK P16 3.66197
185 3PTG 932 3.66197
186 2R5T ANP 3.66197
187 3CF6 SP1 3.66197
188 3KRL KRL 3.66197
189 4CLI 5P8 3.66972
190 3LXK MI1 3.66972
191 1I82 BGC BGC 3.7037
192 1JI0 ATP 3.75
193 4ZGP ADP 3.75427
194 2QX0 PH2 3.77358
195 3CY2 MB9 3.82166
196 2FCU AKG 3.83387
197 5L8L ADP 3.85965
198 5JFS 6K0 3.8961
199 4OH4 ANP 3.9039
200 5LPZ ADP 3.91566
201 5ZCT ANP 3.92157
202 2BMB PMM 3.94366
203 5ODT ADP 3.94366
204 5OMY 9YE 3.94366
205 5WNL STU 3.94366
206 4FL3 ANP 3.94366
207 5IM3 DTP 3.94366
208 4PPF FLC 4
209 3W0O ADP 4.01146
210 3W0O HY0 4.01146
211 1Z2P I3S 4.01235
212 1Z2P ACP 4.01235
213 3M2W L8I 4.01338
214 6FOF LAT 4.08163
215 4AG8 AXI 4.11392
216 3FHR P4O 4.16667
217 5C8W PCG 4.1958
218 2PZI AXX 4.22535
219 4LH7 1X8 4.22535
220 5BVE 4VG 4.22535
221 4H3P ANP 4.22535
222 5Y80 IRE 4.22535
223 4H3Q ANP 4.22535
224 2R7K ACP 4.22535
225 2R7K AMZ 4.22535
226 3RE4 TO1 4.26357
227 1ZTH ADP 4.26357
228 1ZP9 ATP 4.26357
229 1IA9 ANP 4.28571
230 4C2W ANP 4.30108
231 5IH1 6BQ 4.30464
232 5IH1 GDP 4.30464
233 2XK9 XK9 4.34783
234 5DEY 59T 4.3771
235 5LPB ADP 4.39189
236 5COU ATP 4.41176
237 2V2V V12 4.42804
238 5DRB 5FJ 4.46735
239 2YRX AMP 4.50704
240 1Q8Y ADE 4.50704
241 2CFM AMP 4.50704
242 3HZT J60 4.50704
243 4XV1 904 4.50704
244 4QTB 38Z 4.50704
245 4WOV 3SM 4.50704
246 1Q8Y ADP 4.50704
247 3TTI KBI 4.50704
248 5H9Q TD2 4.51613
249 4R78 AMP 4.53074
250 2XOC ADP 4.5977
251 4JLS 3ZE 4.60526
252 4L3L 5FI 4.60526
253 4IZY 1J2 4.60705
254 4JGP PYR 4.60829
255 3UDG TMP 4.65116
256 5CEO 50D 4.66667
257 5C03 AGS 4.67836
258 3HAV ATP 4.68227
259 4OTH DRN 4.69208
260 6E2O S0L 4.74576
261 5VLQ ANP 4.78873
262 4AZW ATP 4.78873
263 4JR7 GNP 4.78873
264 4CRL C1I 4.78873
265 3KMW ATP 4.79705
266 1O9U ADZ 4.85714
267 5UPK ANP 4.86486
268 3NW7 LGV 4.88599
269 3K0T BGC 4.8951
270 3GQI ACP 4.90798
271 3KN5 ANP 4.92308
272 5IDB BMA 4.92958
273 5IDB MAN 4.92958
274 3TKI S25 4.95356
275 2HY0 306 4.96894
276 1K3A ACP 5.01672
277 1PHK ATP 5.03356
278 3SRV S19 5.05415
279 3HDY GDU 5.07042
280 3HDY FAD 5.07042
281 6BXI ANP 5.1051
282 5EW9 5VC 5.16605
283 3FHI ANP 5.19481
284 3E5A VX6 5.22388
285 1SLT NDG GAL 5.22388
286 1IOW ADP 5.22876
287 1IOW PHY 5.22876
288 6E2B PT7 5.26316
289 3ZXE PGZ 5.26316
290 4EUU BX7 5.32915
291 4WW7 AMP 5.34759
292 5ZTN CUR 5.35211
293 6GZD LCI 5.35211
294 3TY5 ATP 5.35211
295 3TY5 ADP 5.35211
296 2CSN CKI 5.35211
297 4U44 3D9 5.42169
298 5EXK 5AD 5.43807
299 1NSZ GLC 5.4755
300 5DBX ANP 5.4878
301 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 5.55556
302 2JDR L20 5.55556
303 4YZN 4K5 5.57491
304 3SLS ANP 5.59211
305 5EFQ ADP 5.59701
306 4NST ADP 5.59701
307 2X1E X1E 5.6338
308 5OO5 UUA 5.64516
309 3VPC ADP 5.67376
310 3A76 SPD 5.68182
311 4M1U A2G MBG 5.71429
312 4CQE CQE 5.7554
313 2AQX ATP 5.88235
314 3MVH WFE 5.91549
315 4OUC 5ID 5.91549
316 6G34 5ID 5.91549
317 5T8O 76Z 5.91549
318 1XV5 UDP 5.91549
319 2VPQ ANP 5.9867
320 2P7Q GG6 6.01504
321 1TQP ATP 6.02837
322 3PLS ANP 6.04027
323 1UYY BGC BGC 6.10687
324 2WQN ADP 6.12903
325 4NW6 2NS 6.19195
326 3WVR AMP 6.19718
327 5OKT 9XK 6.19718
328 5W4W 9WG 6.19718
329 5I35 ANP 6.19718
330 4O1P ANP 6.19718
331 3Q9T FAY 6.19718
332 4KBA 1QM 6.19718
333 3TDV GDP 6.20915
334 3VV1 GAL FUC 6.25
335 5KO1 6UY 6.36042
336 2BPM 529 6.47249
337 2YW2 ATP 6.47887
338 1M0W ANP 6.47887
339 5LXT ACP 6.47887
340 3TTY GLA 6.47887
341 5YF9 NIO 6.48968
342 2BKK ADP 6.50888
343 4E1Z 0MX 6.52921
344 1TZD ADP 6.54545
345 5VC5 96M 6.57439
346 4CFU 2WC 6.60066
347 6GUE FB8 6.62252
348 4BCM T7Z 6.64452
349 4BCQ TJF 6.64452
350 4BCN T9N 6.66667
351 5DG2 GAL GLC 6.66667
352 2V58 LZJ 6.68151
353 2ZV2 609 6.71141
354 2XMY CDK 6.71141
355 4OAV ACP 6.72389
356 4X7Q 3YR 6.73077
357 5B09 4MX 6.73077
358 4XZ3 ACP 6.76056
359 4GYI ADP 6.76056
360 4XYM A12 6.76056
361 3IDB ANP 6.8323
362 5IH9 6BF 6.86567
363 2VQD AP2 6.89655
364 3UDZ ADP 6.89655
365 3ZW2 NAG GAL FUC 6.89655
366 5VZ0 ADP 7.04225
367 2A19 ANP 7.04225
368 5DXT 5H5 7.04225
369 5FI4 5XV 7.04225
370 3VPD ANP 7.11744
371 1W2D ADP 7.16981
372 1W2D 4IP 7.16981
373 4NFE BEN 7.173
374 3PN1 IVH 7.2327
375 4MV1 ADP 7.26496
376 6MJ7 ARG 7.27273
377 3WUC GLC GAL 7.29927
378 4WNP 3RJ 7.31707
379 5UIU 8CG 7.43034
380 5C1P ADP 7.51634
381 1OBD ATP 7.51634
382 5C1P DAL DAL 7.51634
383 4RJD TFP 7.57576
384 3TII ANP 7.60563
385 2F2U M77 7.60563
386 2QK4 ATP 7.74336
387 1XK5 TPG 7.84314
388 6A1G 9OL 7.88732
389 3MN5 LAB 7.89474
390 4RFM 3P6 7.89474
391 1BYG STU 7.91367
392 4K33 ACP 8
393 6F3G CJN 8.13559
394 4UAL 3FV 8.16901
395 3E8N ATP 8.21114
396 3E8N VRA 8.21114
397 5U6C 7YS 8.25397
398 3AKK ADP 8.30769
399 4F9C 0SX 8.33333
400 5HQ0 LZ9 8.33333
401 6GU6 1QK 8.33333
402 4CTA ATP 8.37563
403 6GH9 MIX 8.4507
404 2FB3 MET 8.52941
405 4G31 0WH 8.69565
406 3X01 AMP 8.73239
407 3BZ3 YAM 9.05797
408 5HZX 2GE 9.09091
409 2QF7 AGS 9.29577
410 4CC6 L5Y 9.43396
411 6FL8 ADP 9.57747
412 6FL8 TIY 9.57747
413 5EO8 TFU 9.57747
414 4G17 0VN 9.69697
415 3LXN MI1 9.74843
416 5TDF ADP 10.1408
417 4GJ3 0XP 10.2649
418 1ZY5 ANP 10.4225
419 3IGO ANP 10.4225
420 4AU8 Z3R 10.473
421 1UNH IXM 10.6164
422 3O0G 3O0 10.6164
423 5MY8 RXZ 10.705
424 1I7E IBS 10.9434
425 5TA6 79D 10.9859
426 5UR1 YY9 10.9859
427 4FE2 ADP 10.9859
428 3H9R TAK 11.0092
429 1JBU BEN 11.1111
430 2YAB AMP 11.2676
431 1T36 ADP 11.5183
432 2OFV 242 11.5523
433 3FC2 IBI 11.6418
434 3N1S 5GP 11.7647
435 4GLW 0XT 11.8033
436 4LRJ ANP 11.8343
437 2BS5 BGC GAL FUC 12.2222
438 4NZN ANP 12.6761
439 4NZN 2OU 12.6761
440 5G1X ADP 12.6984
441 4Q5H ANP 12.8205
442 3LQV ADE 12.8205
443 4UWH JXM 12.9577
444 6BFN DL1 13.1579
445 1J3R 6PG 13.1579
446 2YAK OSV 13.3333
447 3SXS PP2 13.4328
448 3PVW QRX 13.5135
449 1CBK ROI 13.75
450 1C1L GAL BGC 13.8686
451 6C0T EE4 14.3662
452 6C7Y ADP 14.5299
453 5A6N U7E 14.841
454 2WEL K88 15.3333
455 5BWD FUM 18.3333
456 2RIF AMP 18.4397
457 4WVW SLT 18.75
458 4B1V LAB 18.75
459 4NM5 ADP 20.8333
460 5LWY OLB 22.6891
461 3VPB ADP 23.2143
462 2YMZ LAT 26.1538
463 1WW5 SGA BGC 26.875
464 1KJ8 GAR 35.7746
465 1KJ8 ATP 35.7746
466 5K2M ADP 35.8491
467 3ORQ ADP 43.2361
Pocket No.: 2; Query (leader) PDB : 3ETH; Ligand: ATP; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 3eth.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG None
2 1VBR XYS XYP 0.914634
3 2D6M LBT 1.25786
4 3WV6 GAL GLC 1.35135
5 3WBZ ATP 1.84502
6 4H69 10Y 2.06186
7 4D4U FUC NDG GAL FUC 2.22222
8 1JPA ANP 2.24359
9 4MZU TYD 2.5641
10 5FBN 5WF 2.58303
11 6A46 DCM 2.73438
12 6CDG PRO GLY LEU TRP LYS SER 2.99401
13 5HCY 60D 3.32326
14 1PCA VAL 3.38028
15 4X3R 686 3.94366
16 1SOW OXL 4.26829
17 6GIN IR2 4.31894
18 1B09 PC 4.36893
19 4OIT MAN 4.42478
20 5H2U 1N1 4.49438
21 2C6Q NDP 4.5584
22 4QM9 CYS 4.62428
23 4CS9 AMP 4.78873
24 4F4P 0SB 5.12821
25 2YNE YNE 5.35211
26 2YNE NHW 5.35211
27 4ZU4 4TG 5.40541
28 5DXI TRE 5.62914
29 4B1L FRU 6.06061
30 1QFT HSM 6.28571
31 2XVD AS6 6.29139
32 5F90 LMR 6.41026
33 5TPV TYD 7.04225
34 6BFH KAN 7.30337
35 1GU3 BGC BGC BGC BGC BGC 7.38255
36 6CED EYA 7.47664
37 5XQW 8EU 8.05687
38 5L2R MLA 8.16901
39 1A78 TDG 10.4478
40 1KJ1 MAN 11.9266
41 1W0J ADP 12.6761
42 5X3R 7Y3 16.0976
43 3I7V ATP 19.403
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