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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 SYNTHETAS 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...
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 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: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 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 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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