Receptor
PDB id Resolution Class Description Source Keywords
4LYA 2.45 Å NON-ENZYME: OTHER ESSC (ATPASES 2 AND 3) FROM GEOBACILLUS THERMODENITRIFICANS GEOBACILLUS THERMODENITRIFICANS ESX SECRETION ESSC TYPE VII SECRETION CELL CYCLE
Ref.: SUBSTRATES CONTROL MULTIMERIZATION AND ACTIVATION O MULTI-DOMAIN ATPASE MOTOR OF TYPE VII SECRETION. CELL(CAMBRIDGE,MASS.) V. 161 501 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:1503;
A:1502;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:1501;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LYA 2.45 Å NON-ENZYME: OTHER ESSC (ATPASES 2 AND 3) FROM GEOBACILLUS THERMODENITRIFICANS GEOBACILLUS THERMODENITRIFICANS ESX SECRETION ESSC TYPE VII SECRETION CELL CYCLE
Ref.: SUBSTRATES CONTROL MULTIMERIZATION AND ACTIVATION O MULTI-DOMAIN ATPASE MOTOR OF TYPE VII SECRETION. CELL(CAMBRIDGE,MASS.) V. 161 501 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4LYA - 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 1068 families.
1 4LYA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4LYA - 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 : 4LYA; Ligand: ATP; Similar sites found: 458
This union binding pocket(no: 1) in the query (biounit: 4lya.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5TSH ANP 0.00001766 0.51498 1.07335
2 5TSH ADP 0.00001241 0.48904 1.07335
3 2IS6 ADP 0.00003619 0.50092 1.43113
4 2QZ4 ADP 0.00007321 0.5003 1.52672
5 1G7S GDP 0.00002163 0.5216 1.61002
6 1QHG ATP 0.0004998 0.46435 1.61002
7 3TBK ANP 0.0002283 0.45191 1.62162
8 1GOJ ADP 0.0000004079 0.50171 1.69014
9 2VVG ADP 0.000000516 0.49905 1.71429
10 4WZ6 ATP 0.000006935 0.5764 1.72414
11 2FSH ANP 0.0008647 0.43687 1.78891
12 4A4Z ANP 0.002153 0.43499 1.78891
13 3FYH ADP 0.0003723 0.48331 1.86335
14 3CTY FAD 0.03926 0.40679 1.88088
15 5HR5 ADP 0.0002749 0.47888 1.88324
16 2GDJ ANP 0.0002273 0.46636 1.89394
17 2I4I AMP 0.012 0.40213 1.91847
18 5TIV A3P 0.01165 0.43154 1.97628
19 1D2E GDP 0.00001088 0.54153 2.01511
20 1G41 ADP 0.04284 0.4359 2.02703
21 2VF7 ADP 0.0002039 0.47698 2.14669
22 2XAU ADP 0.0004362 0.46455 2.14669
23 1YTM ATP 0.0000486 0.45186 2.14669
24 4YS0 ADP 0.0005293 0.43411 2.14669
25 4RD0 GDP 0.00005435 0.51907 2.16867
26 3DZD ADP 0.0004563 0.46619 2.17391
27 5MEX SZZ 0.01801 0.41704 2.17391
28 5MEX PAP 0.006689 0.41601 2.17391
29 4KBF AMP 0.00128 0.42801 2.19178
30 1KK1 GNP 0.00001122 0.51312 2.19512
31 1V8K ANP 0.00006123 0.50761 2.19512
32 5LB3 ADP 0.0002229 0.45877 2.24719
33 3MD0 GDP 0.02191 0.40492 2.25352
34 5GJC ATP 0.0002438 0.4646 2.26244
35 1MKY GDP 0.00001081 0.52491 2.2779
36 3ZFD ANP 0.0001079 0.49254 2.2792
37 5L3W GDP 0.00005322 0.50669 2.28758
38 1IHU ADP 0.00001093 0.55456 2.32558
39 1IHU AF3 0.000009737 0.55456 2.32558
40 4R43 GDP 0.00002775 0.52375 2.32558
41 1OS1 PYR 0.00009967 0.52004 2.32558
42 1OS1 ATP 0.00009191 0.52004 2.32558
43 2GK6 ADP 0.0004623 0.44147 2.32558
44 4IHQ ADP 0.0273 0.40017 2.33918
45 2V3A FAD 0.03919 0.40171 2.34375
46 1G6O ADP 0.04985 0.4321 2.42424
47 2RGX AP5 0.001166 0.48156 2.42718
48 2Q2Y ADP 0.0002393 0.51411 2.45232
49 2Q2Y MKR 0.0002493 0.51195 2.45232
50 1AZT GSP 0.0001403 0.51106 2.48756
51 1Z83 AP5 0.0008678 0.47824 2.55102
52 2QEN ADP 0.00006914 0.50689 2.57143
53 1QF9 ADP 0.001288 0.47359 2.57732
54 1QF9 ALF 0.001288 0.47359 2.57732
55 1QF9 C5P 0.001288 0.47359 2.57732
56 2ZR9 DTP 0.00004519 0.4967 2.5788
57 1NY5 ADP 0.0002069 0.48464 2.58398
58 1H65 GDP 0.000004349 0.5712 2.59259
59 1SQ5 ADP 0.00006828 0.49874 2.5974
60 3B9Q MLI 0.00004458 0.40575 2.64901
61 2DPY ADP 0.00001041 0.56048 2.68336
62 1DAR GDP 0.00003438 0.50262 2.68336
63 2FAH GDP 0.00009238 0.49839 2.68336
64 4IDN GNP 0.0001917 0.4255 2.68336
65 3COB ADP 0.000001383 0.50191 2.71003
66 3TK1 GDP 0.000002303 0.53173 2.72727
67 1NST A3P 0.001959 0.43902 2.76923
68 1UJ2 ADP 0.02075 0.42805 2.77778
69 1UJ2 C5P 0.02844 0.42078 2.77778
70 2OG2 MLI 0.00001135 0.40461 2.78552
71 4TTQ ATP 0.00003074 0.5055 2.7907
72 1SVK ALF GDP 0.0003061 0.49613 2.83286
73 4ASE AV9 0.01928 0.40507 2.83286
74 4LC1 GDP 0.000007354 0.53228 2.86225
75 2CE7 ADP 0.01524 0.41967 2.86225
76 4GOX A3P 0.001162 0.45775 2.8754
77 4M0R 644 0.03173 0.40998 2.90237
78 2XT3 ADP 0.000001336 0.50268 2.90698
79 4R98 GNH 0.00001804 0.51563 2.95203
80 3BFV ADP 0.00006097 0.49192 2.95203
81 2PL3 ADP 0.0001104 0.50239 2.9661
82 1SKQ GDP 0.000004316 0.53057 2.98851
83 5L3R GCP 0.00006722 0.4274 2.99003
84 1U0J ADP 0.000672 0.43952 2.99625
85 2WIC GNP 0.03199 0.41598 2.99625
86 2WKQ GTP 0.00001447 0.54876 3.01205
87 2Y65 ADP 0.00000269 0.49176 3.0137
88 4B47 GDP 0.000006181 0.56275 3.0303
89 1Y3A GDP 0.0001104 0.50659 3.03951
90 4PFO ADP 0.00007543 0.51861 3.04114
91 1F5N GNP 0.0001512 0.50592 3.04114
92 2D7D ADP 0.0001906 0.47179 3.04114
93 3FVQ ATP 0.0004022 0.47566 3.06407
94 2OM2 GDP 0.0001251 0.43789 3.07692
95 1TAD ALF 0.0002569 0.49822 3.08642
96 1TAD GDP 0.0002569 0.49822 3.08642
97 1X8J A3P 0.01784 0.4202 3.1339
98 4HUT ATP 0.02265 0.40419 3.14136
99 2ZE7 DST 0.0123 0.41323 3.16206
100 2ZE7 AMP 0.01148 0.41323 3.16206
101 1BH2 GSP 0.000529 0.4829 3.1746
102 3WXM GTP 0.000102 0.51229 3.19149
103 4ZG4 VO4 ADP 0.0001327 0.50277 3.22004
104 1P72 ADP 0.0002596 0.50276 3.29341
105 1D8T GDP 0.000008553 0.529 3.30789
106 2BVN GNP 0.00004492 0.51293 3.30789
107 2IXE ATP 0.000321 0.48241 3.32103
108 2RCN GDP 0.000007307 0.53216 3.35196
109 5FG3 GDP 0.000006361 0.52386 3.37079
110 4IEE AGS 0.00007953 0.50926 3.39893
111 2ZPA ADP 0.0001144 0.49913 3.39893
112 2GMV UN8 0.001864 0.45463 3.39893
113 5MZN ADP 0.000211 0.45058 3.39893
114 1NHX FTB 0.005545 0.44901 3.39893
115 2GMV PEP 0.004262 0.43998 3.39893
116 1NHX PEP 0.008221 0.4393 3.39893
117 2ZPT A3P 0.01389 0.43582 3.39893
118 3W5J GDP 0.00001652 0.46907 3.43137
119 2BEK ATP 0.0007729 0.48596 3.50195
120 4BAS GNP 0.0001085 0.5048 3.51759
121 2QG6 NMN 0.001409 0.46056 3.51759
122 2ZFI ADP 0.00003273 0.50251 3.55191
123 4AG5 ADP 0.00000001115 0.71827 3.57143
124 1U8Z GDP 0.00002619 0.53644 3.57143
125 1XKV ATP 0.00003321 0.51613 3.57782
126 2C77 GNP 0.0000871 0.50707 3.57782
127 3VX3 ADP 0.00009998 0.50188 3.62903
128 3AB3 GDP 0.0001326 0.49843 3.65854
129 1XX6 ADP 0.0003308 0.42886 3.66492
130 2WOJ ADP ALF 0.0000352 0.53659 3.67232
131 3DKP ADP 0.0003551 0.4588 3.67347
132 4XTR ATP 0.00005096 0.52263 3.68664
133 4XTR ADP 0.00003617 0.52263 3.68664
134 4XVU ATP 0.00005946 0.51943 3.68664
135 3B5J 12D 0.00003321 0.53552 3.7037
136 1G7C 5GP 0.003423 0.42552 3.71179
137 3BFX A3P 0.001673 0.40626 3.71622
138 1JI0 ATP 0.00003189 0.53639 3.75
139 2J0V GDP 0.00001677 0.52667 3.77358
140 5KSZ GCP 0.00007126 0.50084 3.77358
141 4LJ9 ACP 0.0002526 0.46408 3.83481
142 4NON GDP 0.00008889 0.51895 3.84615
143 1JJV ATP 0.00000959 0.49122 3.8835
144 3NHB ADP 0.000008406 0.49225 3.92157
145 1X6V ADP 0.00009196 0.52002 3.9356
146 1Z6T ADP 0.00003728 0.51942 3.9356
147 5I0H ADP BEF 0.00013 0.49885 3.9356
148 3EC1 GDP 0.00006904 0.49852 3.9356
149 1OXV ANP 0.00004306 0.48678 3.96601
150 2HF9 GSP 0.0007311 0.47103 3.9823
151 3UIE ANP 0.00005042 0.50777 4
152 2A5F GTP 0.000116 0.50763 4
153 2VB6 ADP BEF 0.0001312 0.50302 4.02685
154 5KDO GDP 0.0001356 0.43683 4.05405
155 2GJ8 ALF GDP 0.000144 0.40468 4.06977
156 3GJ0 GDP 0.000003421 0.56644 4.0724
157 3GJ3 GDP 0.00000414 0.54394 4.0724
158 3GJ5 GDP 0.000007178 0.54353 4.0724
159 1GOT GDP 0.0002068 0.49149 4.10959
160 1TQ4 GDP 0.00001379 0.5449 4.11622
161 3REF GDP 0.00003275 0.45352 4.12371
162 4FRZ ADP 0.000003044 0.50614 4.14508
163 1IBR GNP 0.00008737 0.51746 4.16667
164 3FB4 AP5 0.0003834 0.50376 4.16667
165 3TMK T5A 0.0006361 0.47898 4.16667
166 4FCW ADP 0.0002362 0.47407 4.18006
167 3M1I GTP 0.00006288 0.52438 4.18848
168 1Z06 GNP 0.0000892 0.5131 4.2328
169 2ODE ALF GDP 0.0002702 0.49716 4.25532
170 3A1S GDP 0.00001818 0.52506 4.26357
171 2A9K GDP 0.00002037 0.53169 4.27807
172 5WRJ A3P 0.004856 0.42972 4.29338
173 5WRI A3P 0.004972 0.42581 4.29338
174 1MH1 GNP 0.00003285 0.53805 4.30108
175 2W2X GSP 0.00002526 0.53248 4.32432
176 3B7G ANP 0.0003948 0.46384 4.34783
177 3DC4 ADP 0.00001153 0.49641 4.36047
178 4CVN ADP 0.000003241 0.58559 4.37956
179 2JAQ DCP 0.002416 0.44256 4.39024
180 1D2N ANP 0.001122 0.45459 4.41176
181 3QKT ANP 0.0003104 0.4871 4.42478
182 3H4S ADP 0.000001357 0.50222 4.44444
183 3FWY ADP 0.00001181 0.54275 4.4586
184 2FJU GSP 0.0000118 0.5481 4.49438
185 1FP6 ADP 0.00001112 0.54108 4.49827
186 4QOS ADP 0.0000851 0.48196 4.5283
187 3DEF GDP 0.000008836 0.54572 4.58015
188 4NU0 AP5 0.0002771 0.50836 4.60829
189 1S3G AP5 0.0006406 0.49248 4.60829
190 1F9V ADP 0.000004241 0.50151 4.61095
191 1W5T ANP 0.0003735 0.47718 4.61165
192 1W5T ADP 0.0003149 0.47612 4.61165
193 1R6B ADP 0.0001589 0.48194 4.65116
194 3H86 AP5 0.0004924 0.49185 4.6875
195 4WZA ACP 0.0002105 0.53547 4.71014
196 4WZA ADP 0.0002105 0.53547 4.71014
197 2C04 GCP 0.0002894 0.47783 4.7138
198 4QRH 0O2 0.005158 0.42324 4.7619
199 1FQK GDP 0.0002274 0.41575 4.7619
200 1KAO GDP 0.000008632 0.5491 4.79042
201 2D2F ADP 0.0001222 0.40992 4.8
202 3IUY AMP 0.003487 0.41602 4.82456
203 1KSH GDP 0.00005966 0.51484 4.83871
204 4M9Q GNP 0.0001197 0.43192 4.84582
205 2WHX ADP 0.00005186 0.46259 4.85437
206 4U00 ADP 0.000002294 0.48146 4.91803
207 1RYH GNP 0.00001248 0.53574 4.92611
208 2C78 GNP 0.00008336 0.51025 4.93827
209 1MR3 G3D 0.00001996 0.5232 4.97238
210 3IIJ ADP 0.000007535 0.53166 5
211 4Q1A 2XZ 0.004053 0.50056 5
212 4Q1A UDP 0.004053 0.50056 5
213 4NCN GTP 0.000237 0.49074 5.03282
214 1AQU A3P 0.007035 0.41302 5.05051
215 1G3Q ADP 0.00006553 0.49956 5.06329
216 4ITM ATP 0.008757 0.41894 5.07937
217 3KJI ADP 0.002082 0.46546 5.11811
218 2G77 GDP 0.00006138 0.5093 5.12195
219 3PQC GDP 0.00003023 0.51802 5.12821
220 1T5C ADP 0.0000008265 0.49193 5.15759
221 4DID GDP 0.00001057 0.53583 5.18135
222 1E96 GTP 0.00001258 0.55613 5.20833
223 1I4D GDP 0.000003532 0.53614 5.20833
224 1A4R GNH 0.00001107 0.54407 5.2356
225 1A4R GDP 0.00001807 0.5368 5.2356
226 4ITR GDP 0.00003114 0.52569 5.2356
227 1OIX GDP 0.00005392 0.52565 5.2356
228 1OIV GDP 0.00006697 0.52111 5.2356
229 4QM7 GTP 0.00004835 0.49561 5.26316
230 5KUT GDP 0.00001155 0.53408 5.29101
231 5BQ5 ADP BEF 0.00008893 0.48181 5.29101
232 1VG0 GDP 0.00001135 0.54068 5.31401
233 1VG8 GNP 0.00003037 0.53969 5.31401
234 2WJG GDP 0.0000348 0.50271 5.31915
235 3SBD GNP 0.00001807 0.43965 5.34759
236 1ION ADP 0.00008605 0.49706 5.34979
237 3A4M ADP 0.000004401 0.51499 5.38462
238 1G3M PCQ 0.02224 0.41338 5.44218
239 1G3M A3P 0.02224 0.41338 5.44218
240 1J99 AND 0.03129 0.40068 5.46075
241 2B8W ALF 5GP 0.001315 0.45699 5.4878
242 2F9L GDP 0.00004376 0.43891 5.52764
243 4HSE ADP 0.00001369 0.5307 5.54156
244 1SVM ATP 0.0006883 0.49848 5.57029
245 4KFU ACP 0.00001095 0.4884 5.66038
246 1HE1 GDP 0.000009689 0.47953 5.68182
247 4H1V GNP 0.0001878 0.48661 5.69106
248 2Z5F A3P 0.005287 0.42272 5.7047
249 4R2I ANP 0.002599 0.4093 5.71429
250 3QBT GNP 0.00003688 0.43065 5.74713
251 4LPS GDP 0.00006612 0.49938 5.78512
252 3BOS CDP 0.00009795 0.48193 5.78512
253 3E70 GDP 0.00003415 0.51252 5.79268
254 5X40 ACP 0.0006136 0.471 5.82192
255 1W0J ADP 0.00005328 0.50949 5.88235
256 1W0J ADP BEF 0.0001394 0.4951 5.88235
257 1JWY GDP 0.00001745 0.532 5.9034
258 1JWY ADP 0.00005859 0.50178 5.9034
259 3CX8 GSP 0.0002653 0.49754 5.91133
260 3Q85 GNP 0.000003958 0.54404 5.91716
261 1VKJ A3P 0.005004 0.42386 5.96491
262 2IYL GDP 0.00001804 0.51554 5.98592
263 2WJH GDP 0.0001446 0.48382 6.0241
264 2WJH FLC 0.0003697 0.46786 6.0241
265 3BER AMP 0.002747 0.41971 6.0241
266 1KY3 GDP 0.00001671 0.53287 6.04396
267 3KTA AP5 0.0001236 0.49253 6.04396
268 4PJ3 ANP 0.0009579 0.45123 6.08229
269 4OI4 ATP 0.001179 0.45745 6.08696
270 1SVI GDP 0.000005301 0.52729 6.15385
271 1X1R GDP 0.0000507 0.52891 6.17978
272 1G6H ADP 0.000002273 0.48136 6.22568
273 2CJW GDP 0.00000524 0.55774 6.25
274 2BCG GDP 0.00001978 0.47745 6.31068
275 1YQT ADP 0.000005128 0.49753 6.3197
276 5CK5 GDP 0.0000138 0.51148 6.32911
277 2HV8 GTP 0.0000299 0.53799 6.39535
278 2W58 ADP 0.000001445 0.48718 6.43564
279 1BG2 ADP 0.000001839 0.48052 6.46154
280 1YVD GNP 0.00002378 0.5428 6.50888
281 5HCN GCP 0.000008388 0.54044 6.51341
282 4HDO GNP 0.0000397 0.53406 6.52174
283 1M7B GTP 0.00003976 0.52317 6.52174
284 1XP8 AGS 0.01601 0.45342 6.55738
285 3T1O GDP 0.0001025 0.49356 6.56566
286 2D7C GTP 0.00006352 0.52221 6.58683
287 1T8U A3P 0.00689 0.41727 6.61765
288 5N69 ADP 0.00008424 0.50025 6.61896
289 1M7G AV2 0.00004853 0.48565 6.63507
290 1M7G ADX 0.0005494 0.48519 6.63507
291 1M7G ADP 0.0005466 0.4822 6.63507
292 2JLR ANP 0.000511 0.4639 6.65188
293 2PEZ GGZ 0.00011 0.52119 6.70391
294 2PEZ DAT 0.00011 0.52119 6.70391
295 2A5J GDP 0.00001776 0.51334 6.80628
296 2BIF ANP 0.0002149 0.50832 6.82303
297 2BIF SIN 0.0003657 0.50832 6.82303
298 1ZJ6 G3D 0.00002721 0.51703 6.95187
299 1OE0 TTP 0.006563 0.42652 6.95652
300 5UWI GNP 0.00007846 0.51973 6.99301
301 5UWS GNP 0.00008581 0.5197 6.99301
302 5UWT GNP 0.0000796 0.51942 6.99301
303 5UWU GNP 0.00008305 0.51853 6.99301
304 5UWP GNP 0.00009125 0.5184 6.99301
305 5DIF GNP 0.00008473 0.51811 6.99301
306 5UWW GNP 0.00008657 0.51766 6.99301
307 5DHF GNP 0.00009079 0.51665 6.99301
308 5UWO GNP 0.00007932 0.41185 6.99301
309 5UWQ GNP 0.00008301 0.41156 6.99301
310 5UWJ GNP 0.00008718 0.41094 6.99301
311 1YZN GNP 0.00005054 0.41758 7.02703
312 1YZQ GNP 0.0000959 0.5155 7.05882
313 2ZEJ GDP 0.00001075 0.56154 7.06522
314 2CHG ANP 0.00001378 0.53961 7.07965
315 3ZQ6 ADP ALF 0.0000511 0.52875 7.09877
316 5H56 ADP 0.00007722 0.52547 7.17949
317 5H56 TYD 0.00007722 0.52547 7.17949
318 1NJF ADP 0.00002298 0.53189 7.2
319 1NJF AGS 0.00004615 0.52245 7.2
320 1L2T ATP 0.0004221 0.48069 7.23404
321 1Z0F GDP 0.00001789 0.52538 7.26257
322 1KO8 6PG 0.00008838 0.50439 7.42857
323 1PUJ GNP 0.0000218 0.52751 7.44681
324 1FNN ADP 0.0001718 0.49083 7.45501
325 1OYY AGS 0.009694 0.40422 7.45698
326 2HT6 GDP 0.000005385 0.52696 7.47126
327 1Z0A GDP 0.0000209 0.52541 7.47126
328 5IRC GDP 0.0001433 0.48685 7.52688
329 4PX9 ADP 0.00009986 0.47176 7.53425
330 2FFQ GSP 0.0001418 0.50728 7.60234
331 3RLF ANP 0.0003129 0.48498 7.61155
332 2AWN ADP 0.0000004317 0.48448 7.61155
333 1Z08 GNP 0.0001921 0.4951 7.64706
334 5L3V GDP 0.00002098 0.52533 7.69231
335 5L3S GNP 0.00006898 0.51846 7.71812
336 5M04 GDP 0.00001496 0.50833 7.77778
337 3Q72 GNP 0.00001835 0.50515 7.83133
338 4HAT GNP 0.00008553 0.51977 7.85714
339 2XTZ GSP 0.00008482 0.51616 7.9096
340 4DSU GDP 0.00004144 0.53316 7.93651
341 1ZC3 GNP 0.00002196 0.54652 7.9646
342 2BME GNP 0.00001113 0.5587 8.06452
343 1LVG ADP 0.00001191 0.49987 8.08081
344 5TB5 GDP 0.00001952 0.52678 8.10811
345 5HPY GDP 0.00004023 0.51787 8.10811
346 4D0N GDP 0.00001834 0.51538 8.10811
347 5TAR GDP 0.00001806 0.49954 8.10811
348 1KMQ GNP 0.00006188 0.51861 8.15217
349 1CXZ GSP 0.00007839 0.51151 8.24176
350 5KSP GDP 0.00008971 0.49331 8.42105
351 5XCO GDP 0.00001226 0.53912 8.77193
352 3RAB GNP 0.00004575 0.52909 8.87574
353 1YZG GDP 0.00004617 0.50652 8.93855
354 1GUA GNP 0.00003639 0.42527 8.98204
355 3DDC GNP 0.00003132 0.53905 9.03614
356 1NVV GNP 0.00003361 0.53757 9.03614
357 1WQ1 GDP 0.00003866 0.52836 9.03614
358 3KUD GDP 0.0000314 0.52802 9.03614
359 1CLU DBG 0.0001536 0.52633 9.03614
360 5UFQ GNP 0.0000542 0.52554 9.03614
361 2UZI GTP 0.00005821 0.52404 9.03614
362 1O3Y GTP 0.00008907 0.51105 9.03614
363 1S9D GDP 0.00002942 0.51548 9.14634
364 1RE0 GDP 0.00001342 0.51211 9.14634
365 4YMU ATP 0.00007515 0.4771 9.16667
366 4C4P GNP 0.00005579 0.5269 9.34579
367 1G16 GDP 0.00007413 0.51267 9.41177
368 3P4X ADP 0.00004148 0.4891 9.4431
369 5O2T GSP 0.00006434 0.41365 9.46746
370 1QHH ATP 0.001623 0.43572 9.56522
371 1IN4 ADP 0.00002726 0.5284 9.58084
372 1NVU GTP 0.00003191 0.53866 9.63855
373 1UKZ ADP 0.0005062 0.48986 9.85222
374 1FZQ GDP 0.00002435 0.50984 9.94475
375 1F2U ATP 0.0005194 0.47995 10.0671
376 1F6B GDP 0.00008739 0.49383 10.101
377 3BC1 GNP 0.00001994 0.54649 10.1695
378 1S8F GDP 0.001927 0.48396 10.1695
379 3GJ7 GDP 0.000003813 0.56423 10.2041
380 4P32 ADP 0.0003933 0.47822 10.4418
381 3T5G GDP 0.00002011 0.52617 10.4972
382 1GWN GTP 0.00005606 0.51612 10.7317
383 1OW3 GDP 0.00005585 0.51122 10.7438
384 4BQS ADP 0.0001025 0.52725 10.7955
385 4BQS K2Q 0.0001025 0.52725 10.7955
386 2KIN ADP 0.000001417 0.4842 10.9244
387 2GCO GNP 0.00004393 0.51609 10.9453
388 2GCN GDP 0.00006479 0.51545 10.9453
389 1YRB GDP 0.000002532 0.57091 11.0687
390 2NGR GDP 0.000008784 0.53952 11.1111
391 1ZD9 GDP 0.00007634 0.50738 11.1702
392 4K81 GTP 0.00007513 0.52251 11.2403
393 3BD9 A3P 0.0089 0.40182 11.4286
394 1VHT BA3 0.0003413 0.46947 11.4679
395 1EK0 GNP 0.00005294 0.52603 11.7647
396 4U5X GNP 0.00006586 0.5104 11.7978
397 4DCT GDP 0.00002024 0.52292 11.8421
398 1ZUI SKM 0.000389 0.49832 11.9048
399 1Z2A GDP 0.00008473 0.42979 11.9048
400 1WF3 GNP 0.00004049 0.53365 11.9857
401 4D81 ADP 0.00006887 0.50432 12.0141
402 1JJ7 ADP 0.000001429 0.62144 12.3077
403 1XTQ GDP 0.00004183 0.52673 12.4294
404 1VG1 GDP 0.000009255 0.53848 12.4324
405 1VG9 GDP 0.00001555 0.52816 12.4324
406 5BXQ GDP 0.000007308 0.54318 12.5984
407 1GRN GDP 0.00001053 0.54508 12.8079
408 1D5C GDP 0.00002542 0.52719 12.963
409 1TX4 ALF GDP 0.000123 0.42719 13.1313
410 4TMK T5A 0.01092 0.42359 13.1455
411 1UPT GTP 0.00005836 0.51761 13.3333
412 2OFW ADX 0.0001658 0.52088 13.4615
413 2FH5 GTP 0.0002581 0.48476 13.5135
414 4HI0 GDP 0.0000388 0.52367 13.5678
415 1NF3 GNP 0.00002197 0.54445 13.8462
416 2C5L GTP 0.00007219 0.52148 13.8728
417 2CK3 ADP 0.0001797 0.49648 14
418 2CK3 ANP 0.0001463 0.49411 14
419 4WOP CTP 0.0003808 0.47678 14.2222
420 4ZNL BEF ADP 0.0001765 0.47986 14.2336
421 5UQW GDP 0.00003699 0.53145 14.2857
422 1FQJ GDP 0.0001945 0.49484 14.2857
423 4MKF AP5 0.0003404 0.50758 14.7465
424 1G4U GDP 0.00003588 0.46985 14.8479
425 1R2Q GNP 0.00006512 0.53559 15.2941
426 1B7T ADP 0.00004418 0.49417 15.3846
427 3MJH GTP 0.00004588 0.42386 15.4762
428 1DS6 GDP 0.000004716 0.54128 15.5556
429 1ZIN AP5 0.0002763 0.51096 15.6682
430 4MKG AP5 0.0003195 0.50777 15.6682
431 1R4A GNP 0.00006829 0.51867 15.6863
432 1M2O GNP 0.0001005 0.51261 15.7895
433 3QF7 ANP 0.0002161 0.48614 16
434 2XTN GTP 0.00001874 0.54339 16.2393
435 1TU3 GNP 0.00005156 0.52658 16.4557
436 1KK8 BEF ADP 0.00007421 0.46265 17.2662
437 1J2J GTP 0.0001115 0.42872 17.7778
438 3GJ4 GDP 0.000003186 0.54877 18.1818
439 2V7Q ATP 0.0000697 0.50128 18.1818
440 2V7Q ADP 0.00006154 0.49088 18.1818
441 5UWH GNP 0.00006382 0.41387 18.1818
442 1Z0J GTP 0.00002736 0.5419 18.6441
443 1Z0K GTP 0.00001177 0.46057 18.8406
444 3ZIA ATP 0.00006612 0.49938 19.0476
445 3ZIA ADP 0.0001202 0.49309 19.0476
446 3T12 GDP ALF 0.000225 0.48975 19.8529
447 4V0K GDP 0.0000913 0.42687 20.1183
448 3GJ8 GDP 0.000007899 0.54163 20.6522
449 3RWO GDP 0.00005523 0.52514 21.0811
450 5DI9 GNP 0.0001087 0.5147 23.8095
451 2QTV GNP 0.00015 0.50227 24.4898
452 1LFD GNP 0.00003182 0.53669 27.5862
453 1NRJ GTP 0.0001335 0.4983 30.7339
454 1GP2 GDP 0.0001793 0.41906 30.9859
455 3ZS9 ADP ALF 0.0000457 0.5311 31.5789
456 5UWR GNP 0.00008177 0.51886 33.3333
457 2HCJ GDP 0.000004061 0.53154 35.1351
458 2QN6 GDP 0.000007624 0.55835 44.4444
Pocket No.: 2; Query (leader) PDB : 4LYA; 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: 4lya.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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