Receptor
PDB id Resolution Class Description Source Keywords
2YW2 1.8 Å EC: 6.3.4.13 CRYSTAL STRUCTURE OF GAR SYNTHETASE FROM AQUIFEX AEOLICUS IN WITH ATP AQUIFEX AEOLICUS GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE GAR SYNTHETASE ATP BPURINE NUCLEOTIDE BIOSYNTHETIC PATHWAY STRUCTURAL GENOMICSNATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYRIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIGA
Ref.: CRYSTAL STRUCTURES OF GLYCINAMIDE RIBONUCLEOTIDE SY PURD, FROM THERMOPHILIC EUBACTERIA J.BIOCHEM. V. 148 429 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:646;
B:647;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
PO4 A:645;
B:646;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YW2 1.8 Å EC: 6.3.4.13 CRYSTAL STRUCTURE OF GAR SYNTHETASE FROM AQUIFEX AEOLICUS IN WITH ATP AQUIFEX AEOLICUS GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE GAR SYNTHETASE ATP BPURINE NUCLEOTIDE BIOSYNTHETIC PATHWAY STRUCTURAL GENOMICSNATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYRIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIGA
Ref.: CRYSTAL STRUCTURES OF GLYCINAMIDE RIBONUCLEOTIDE SY PURD, FROM THERMOPHILIC EUBACTERIA J.BIOCHEM. V. 148 429 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2YW2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2YW2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2YW2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2YS6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 2YRX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2QK4 - ATP C10 H16 N5 O13 P3 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 : 2YW2; Ligand: ATP; Similar sites found: 261
This union binding pocket(no: 1) in the query (biounit: 2yw2.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q8Y ADE 0.0001799 0.4265 1.07239
2 1Q8Y ADP 0.003406 0.41199 1.07239
3 2WU6 DKI 0.001145 0.43591 1.31234
4 4U44 3D9 0.001792 0.41407 1.50602
5 5HES 032 0.005436 0.4052 1.62866
6 2HGS ADP 0.002967 0.44749 1.65094
7 2OFV 242 0.008348 0.4139 1.80505
8 4EUU BX7 0.004799 0.41409 1.88088
9 3UDZ ADP 0.0007514 0.43501 1.88679
10 3HZT J60 0.0008507 0.40829 1.88679
11 5JKG 6LF 0.009035 0.41454 1.92926
12 4ASE AV9 0.01062 0.40046 1.983
13 3GGF GVD 0.001659 0.40787 1.99336
14 1RE8 BD2 0.001865 0.45315 2
15 3OFM 4B0 0.0002158 0.43215 2
16 2PUL ACP 0.0002745 0.44257 2.01511
17 5AWM ANP 0.001163 0.40211 2.03046
18 5C03 AGS 0.000984 0.42462 2.04678
19 2GU8 796 0.001855 0.46052 2.07715
20 1OPK P16 0.001146 0.44731 2.12264
21 4A4X JUP 0.005135 0.41281 2.15054
22 3AQV TAK 0.001587 0.41647 2.17391
23 5LXC 7AA 0.0007994 0.42134 2.20588
24 5BVE 4VG 0.01223 0.42527 2.21607
25 1VJY 460 0.01108 0.40486 2.31023
26 5IGI ZIT 0.009292 0.41398 2.32558
27 5IGI GMP 0.008796 0.41398 2.32558
28 2ZV2 609 0.0005669 0.47418 2.34899
29 2XMY CDK 0.002421 0.46117 2.34899
30 5MY8 RXZ 0.0004061 0.45896 2.34987
31 4KBA 1QM 0.002497 0.42799 2.41692
32 5W4W 9WG 0.005783 0.41616 2.41692
33 3GC0 AMP 0.0009613 0.41014 2.43161
34 4N70 2HX 0.003081 0.44493 2.43902
35 3IDB ANP 0.002676 0.42013 2.48447
36 5TA6 79D 0.007471 0.40716 2.51397
37 4CQE CQE 0.002243 0.42158 2.51799
38 1BYG STU 0.001505 0.40904 2.51799
39 3CY2 MB9 0.002161 0.4241 2.54777
40 4TWP AXI 0.004924 0.43267 2.58303
41 3NW7 LGV 0.02301 0.40245 2.60586
42 4XLI 1N1 0.002265 0.40802 2.61194
43 4RFM 3P6 0.02677 0.40099 2.63158
44 4BTK DTQ 0.0002754 0.44937 2.67062
45 2PVF ACP 0.001458 0.41554 2.69461
46 2AQX ATP 0.002365 0.4206 2.76817
47 4FG8 ATP 0.002378 0.4186 2.85714
48 3RI1 3RH 0.003112 0.42228 2.8754
49 3QCQ 3Q0 0.03677 0.41298 2.88462
50 5X8I SQZ 0.0009736 0.42599 2.89017
51 5UR1 YY9 0.007725 0.42172 2.89389
52 4NFN 2KC 0.001215 0.41733 2.91262
53 5IQD RIO 0.0005259 0.47054 2.95082
54 5IQD GNP 0.0004928 0.47054 2.95082
55 4YMJ 4EJ 0.0001746 0.40859 2.96053
56 4XH0 ADP 0.0000909 0.53027 2.97767
57 3DLS ADP 0.0001583 0.44686 2.98507
58 3KRL KRL 0.0035 0.41335 2.98507
59 4I94 ANP 0.001682 0.4108 3
60 4NZN 2OU 0.0000009683 0.42719 3.0303
61 4NZN ANP 0.0000009683 0.42719 3.0303
62 3E7O 35F 0.01398 0.40034 3.05556
63 3DNT ATP 0.0004919 0.45353 3.06604
64 3TPV ADE 0.0005943 0.44833 3.06604
65 2QCS ANP 0.002532 0.42618 3.09278
66 5UIU 8CG 0.01106 0.40237 3.09598
67 5USZ SKE 0.003049 0.4242 3.11419
68 5VCV 1N1 0.007397 0.40282 3.21543
69 2R5T ANP 0.000407 0.45313 3.21716
70 4O4F IHP 0.0005667 0.45445 3.22581
71 4O4F ATP 0.0005163 0.45445 3.22581
72 1I7L ATP 0.0000182 0.51513 3.23625
73 5JFS 6K0 0.01025 0.4141 3.24675
74 5DZT AMP 0.000001871 0.46877 3.30189
75 4WNK 453 0.002204 0.43333 3.30189
76 4UWH JXM 0.0008263 0.41913 3.30189
77 1Y57 MPZ 0.004816 0.40919 3.30189
78 3X01 AMP 0.0001604 0.40746 3.30789
79 1PK8 ATP 0.00001654 0.51908 3.31754
80 3TXO 07U 0.0002224 0.43928 3.39943
81 4NW6 2NS 0.003801 0.42557 3.40557
82 4DFU QUE 0.00002433 0.55621 3.41615
83 5C4L 4XR 0.0008436 0.45321 3.42679
84 5C4L SIS 0.01161 0.40271 3.42679
85 1YQC GLV 0.005489 0.40765 3.52941
86 4OTH DRN 0.001052 0.43559 3.53774
87 5TT6 ATP 0.005211 0.40598 3.5533
88 4OH4 ANP 0.002123 0.41197 3.6036
89 5LI1 ANP 0.00309 0.41565 3.67232
90 4OCV ANP 0.0002404 0.45572 3.69393
91 4WB7 ATP 0.005751 0.4212 3.7037
92 5LI9 ACP 0.001982 0.42573 3.71429
93 2Z7R STU 0.001755 0.42612 3.73832
94 4U98 ACP 0.00001445 0.49311 3.77358
95 5DXT 5H5 0.004819 0.4024 3.77358
96 4U0I 0LI 0.009543 0.4065 3.80952
97 4YZN 4K5 0.005271 0.40751 3.83275
98 4WNP 3RJ 0.001396 0.4062 3.83275
99 2IF8 ADP 0.0001289 0.42111 3.85675
100 3VHE 42Q 0.006099 0.41381 3.89972
101 3KN5 ANP 0.0004024 0.42459 4
102 3HAV ATP 0.0001541 0.40645 4.01338
103 3PN1 IVH 0.0006161 0.40236 4.08805
104 1OUK 084 0.01938 0.4328 4.09836
105 5DRB 5FJ 0.01848 0.4069 4.12371
106 2BPM 529 0.002978 0.44562 4.15094
107 5VC5 96M 0.002811 0.42574 4.15225
108 2VZ6 FEF 0.004762 0.42488 4.15335
109 4M69 ANP 0.006026 0.40149 4.15335
110 1U59 STU 0.002215 0.41151 4.18118
111 4BCN T9N 0.0009253 0.45855 4.19847
112 4CFU 2WC 0.001292 0.44685 4.19847
113 4BCM T7Z 0.002667 0.40394 4.19847
114 4QTB 38Z 0.008435 0.40624 4.21053
115 2IO8 ADP 0.00002662 0.50802 4.24528
116 2VN9 GVD 0.0003703 0.41371 4.31894
117 1Z2P ACP 0.000009585 0.42244 4.32099
118 1Z2P I3S 0.000009585 0.42244 4.32099
119 4JDI ANP 0.001908 0.42265 4.33526
120 4G31 0WH 0.01089 0.40638 4.34783
121 4YZC STU 0.01686 0.40219 4.44444
122 5MW8 ATP 0.0002742 0.46248 4.48113
123 5A89 FMN 0.01859 0.40503 4.48718
124 5A89 ADP 0.01859 0.40503 4.48718
125 2WQN ADP 0.005331 0.42256 4.51613
126 5I35 ANP 0.0003993 0.43661 4.58015
127 4L3L 5FI 0.00004941 0.50604 4.60526
128 1M0W ANP 0.000003153 0.51214 4.71698
129 4EWH T77 0.005585 0.4127 4.72727
130 3KRR DQX 0.002706 0.45813 4.74576
131 2V7O DRN 0.0001119 0.4309 4.7619
132 5IH9 6BF 0.002822 0.43512 4.77612
133 2B9I ADP 0.008961 0.40071 4.81586
134 2PVN P63 0.001423 0.44021 4.82955
135 3EKK GS2 0.008178 0.41542 4.88599
136 4CLI 5P8 0.01024 0.41702 4.89297
137 3G5D 1N1 0.004446 0.44256 4.8951
138 3SXF BK5 0.003376 0.4304 4.95283
139 4WW7 AMP 0.0001139 0.47666 4.98084
140 2PYW ADP 0.00009651 0.47746 5
141 2X4Z X4Z 0.0121 0.40549 5.06757
142 4JR7 GNP 0.001022 0.42438 5.08021
143 2A19 ANP 0.001631 0.45193 5.14286
144 1CM8 ANP 0.003519 0.40061 5.17711
145 3LXK MI1 0.003135 0.42367 5.19878
146 2Q7D ANP 0.000004668 0.54504 5.20231
147 3AKK ADP 0.001748 0.42039 5.23077
148 3TII ANP 0.00005844 0.45469 5.26316
149 4P5Z Q7M 0.007995 0.41695 5.26316
150 1W2D 4IP 0.00407 0.42017 5.28302
151 1W2D ADP 0.0005969 0.41556 5.28302
152 4CC6 L5Y 0.0005246 0.40938 5.34591
153 4BFM ANP 0.003295 0.4126 5.38922
154 4WB6 ATP 0.00349 0.42011 5.42857
155 5LVP ATP 0.001592 0.4081 5.46624
156 5TDF ADP 0.00006632 0.48435 5.66038
157 4OCJ NDG 0.001072 0.45653 5.80475
158 3FHI ANP 0.003153 0.42203 5.84416
159 5N87 N66 0.01216 0.40652 6.07029
160 4AU8 Z3R 0.001581 0.40063 6.08108
161 4E93 GUI 0.008479 0.41004 6.1008
162 3KAL ADP 0.000008494 0.54516 6.13208
163 2PZI AXX 0.0005929 0.46769 6.13208
164 4ANW O92 0.001655 0.44164 6.13208
165 3O0G 3O0 0.0009524 0.42139 6.16438
166 1UNH IXM 0.001483 0.40462 6.25
167 3W0O ADP 0.001349 0.44274 6.30372
168 3W0O HY0 0.001349 0.44274 6.30372
169 1EHI ADP 0.000005868 0.52193 6.36605
170 1XJD STU 0.001208 0.4272 6.37681
171 3VPB ADP 0.00000972 0.52906 6.38298
172 3VPC ADP 0.00007666 0.48397 6.38298
173 3ETH ATP 0.00000006516 0.61459 6.47887
174 5T8O 76Z 0.004422 0.40719 6.59026
175 5TO8 7FM 0.006786 0.42126 6.73759
176 3C0G 3AM 0.0006856 0.41706 6.83761
177 4NM5 ADP 0.000251 0.46412 6.83962
178 2JLD AG1 0.0007243 0.45901 6.90476
179 4Y0X ADP 0.0001527 0.44602 6.93333
180 1ZY5 ANP 0.0005484 0.43263 7.26073
181 5HX8 66P 0.0007047 0.45034 7.28477
182 2JDR L20 0.001688 0.46329 7.30994
183 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.001688 0.46329 7.30994
184 2YAB AMP 0.002509 0.41414 7.47922
185 1OBD ATP 0.001816 0.40064 7.51634
186 4KS7 X4Z 0.003388 0.41574 7.53425
187 3ZRM ZRM 0.0005893 0.43547 7.54717
188 4X7Q 3YR 0.001825 0.41492 7.54717
189 5HCY 60D 0.01033 0.41685 7.55287
190 3F7Z 34O 0.001098 0.42416 8
191 5VLQ ANP 0.000002288 0.40883 8.01887
192 3ORK AGS 0.008786 0.40115 8.03859
193 5G41 AP5 0.02309 0.40238 8.07175
194 3RE4 TO1 0.0001088 0.43941 8.13953
195 3ORQ ADP 0.00000565 0.52958 8.22281
196 5HQ0 LZ9 0.00268 0.4164 8.33333
197 5LXT ACP 0.00003518 0.50063 8.39161
198 2YAK OSV 0.0009345 0.44976 8.42105
199 4AUA 4AU 0.002822 0.40246 8.46906
200 3PVW QRX 0.001699 0.40238 8.52941
201 4XV1 904 0.00423 0.42478 8.56164
202 4AZW ATP 0.0001752 0.46651 8.72641
203 5A6N U7E 0.0004497 0.44515 8.83392
204 3PE2 E1B 0.001072 0.46429 8.90208
205 3TKI S25 0.006378 0.43356 8.97833
206 4QMN DB8 0.0009254 0.45691 9.03226
207 5IH1 6BQ 0.007593 0.42835 9.27152
208 5IH1 GDP 0.007593 0.42835 9.27152
209 1IA9 ANP 0.001477 0.43125 9.28571
210 5EFQ ADP 0.001573 0.41696 9.32836
211 4NST ADP 0.002411 0.41037 9.32836
212 1V0O INR 0.002124 0.41173 9.375
213 3SRV S19 0.002379 0.40506 9.38628
214 3IGO ANP 0.001636 0.42019 9.46502
215 4IZY 1J2 0.0005043 0.44709 9.4851
216 4ZGP ADP 0.0009208 0.42308 9.55631
217 4UX9 ANP 0.004031 0.40889 9.61539
218 5NBW 8SK 0.01569 0.40029 9.90991
219 5DEY 59T 0.004496 0.44071 10.101
220 3MVH WFE 0.0003524 0.46843 10.2339
221 3V8S 0HD 0.0003681 0.4392 10.2439
222 1KJ8 ATP 0.00001799 0.41994 10.4859
223 1KJ8 GAR 0.00001942 0.41466 10.4859
224 4IX4 ADP 0.0000554 0.48766 10.5714
225 4Y8D 49J 0.003505 0.40409 10.7143
226 5W2I ADP 0.001514 0.43252 11.284
227 5W2I I3P 0.001514 0.43252 11.284
228 4XYM A12 0.000005554 0.52301 11.3043
229 4GYI ADP 0.0003125 0.48084 11.335
230 4LRJ ANP 0.0016 0.41665 11.8343
231 3E8N VRA 0.01055 0.41735 12.3167
232 3E8N ATP 0.01055 0.41735 12.3167
233 1T36 ADP 0.00002112 0.51854 12.5
234 5CKW ANP 0.0003459 0.42241 12.5
235 2VPQ ANP 0.00002587 0.50635 13.082
236 3I0O ADP 0.0002437 0.42951 13.5693
237 3V4S ATP 0.00000005749 0.6169 14.2119
238 3V4S ADP 0.00001557 0.53668 14.2119
239 3K5I ADP 0.000001803 0.55055 15.1365
240 3K5I AIR 0.00003392 0.51668 15.1365
241 3LXN MI1 0.0008576 0.43734 15.7233
242 4C2V YJA 0.01144 0.40299 15.9091
243 5C1P DAL DAL 0.00005482 0.49657 16.3399
244 5C1P ADP 0.000006605 0.48755 16.3399
245 4GJ3 0XP 0.001277 0.44523 16.5563
246 2BKK ADP 0.0001366 0.44111 17.1598
247 4E1Z 0MX 0.0005028 0.45121 17.1821
248 3WVR AMP 0.00002735 0.47344 17.8971
249 4Q5H ANP 0.0008821 0.42843 18.4211
250 4BHN BH9 0.005383 0.40357 19.1617
251 4MV1 ADP 0.005831 0.41729 19.2308
252 1IOW ADP 0.00003726 0.5181 20.2614
253 1IOW PHY 0.00003726 0.5181 20.2614
254 3VOT ADP 0.0000007364 0.51604 20.5189
255 5VZ0 ADP 0.0003022 0.44177 20.9906
256 5UOX 8GY 0.00217 0.4222 23.6162
257 5K2M ADP 0.000063 0.49193 28.3019
258 1TQP ATP 0.0002214 0.46845 29.078
259 2VQD AP2 0.001075 0.43318 29.2453
260 2V58 LZJ 0.0005153 0.47794 33.2547
261 3KMW ATP 0.001926 0.40798 36.4341
Pocket No.: 2; Query (leader) PDB : 2YW2; 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: 2yw2.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YW2; Ligand: ATP; Similar sites found: 41
This union binding pocket(no: 3) in the query (biounit: 2yw2.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UAL 3FV 0.0001587 0.45814 1.19332
2 4K33 ACP 0.004753 0.4028 1.84615
3 4AXD ANP 0.0006489 0.4664 1.88679
4 4H3Q ANP 0.007561 0.40078 2.20994
5 1SZO CAX 0.02849 0.40103 2.33463
6 4G17 0VN 0.001864 0.40383 2.42424
7 5NCY 8TK 0.001508 0.4406 2.59434
8 4CRL C1I 0.01218 0.4042 2.80702
9 1ZP9 ATP 0.003111 0.40095 3.10078
10 2F2U M77 0.0005416 0.47514 3.23383
11 4DC2 ADE 0.0001747 0.40422 3.28283
12 4ME6 ADP 0.000000263 0.49819 3.36788
13 5LPZ ADP 0.00354 0.40262 3.61446
14 1OLT SAM 0.005761 0.40568 3.77358
15 2CSN CKI 0.002565 0.42593 4.0404
16 1AUX AGS 0.00001662 0.49752 4.50161
17 4YLL 4E3 0.00751 0.40091 5.89623
18 3LQV ADE 0.007183 0.43937 6.08696
19 2ZFZ ARG 0.03624 0.42008 6.32911
20 4OPC PGT 0.04529 0.41621 6.60377
21 4OPC FDA 0.04199 0.41522 6.60377
22 2J7T 274 0.009657 0.40498 7.28477
23 1GSA ADP 0.00005771 0.49144 7.91139
24 2XN5 FUN 0.01171 0.41036 8.28571
25 2R7K AMZ 0.0002947 0.47023 8.31025
26 1XK5 TPG 0.02092 0.40541 8.33333
27 5UKL SIX 0.009287 0.40302 8.55457
28 1IHU AF3 0.00709 0.40028 8.72641
29 4F4P 0SB 0.01133 0.42548 9.89011
30 4N14 WR7 0.02639 0.4113 10.5096
31 4AZT LY2 0.001328 0.40008 11.5566
32 4F9C 0SX 0.003142 0.40141 12.5
33 3M2W L8I 0.001454 0.40433 12.709
34 3KH5 AMP 0.02981 0.4011 13.2143
35 2R85 AMP 0.008008 0.40989 13.4731
36 1E4E ADP 0.000009441 0.51332 16.9096
37 3VPD ANP 0.0000114 0.51918 18.1495
38 4IJP 1EH 0.006004 0.40156 18.9944
39 4H3P ANP 0.003922 0.40117 33.3333
40 3WO0 ALA 0.00000861 0.5514 33.4906
41 3WO0 ADP 0.04338 0.40795 33.4906
Pocket No.: 4; Query (leader) PDB : 2YW2; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2yw2.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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