Receptor
PDB id Resolution Class Description Source Keywords
5LVP 2.5 Å EC: 2.7.11.1 HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH AN HM-PEPTIDE BOUND PIF-POCKET HOMO SAPIENS PROTEIN KINASE ALLOSTERIC REGULATION SMALL COMPOUNDS PIF-TRANSFERASE
Ref.: BIDIRECTIONAL ALLOSTERIC COMMUNICATION BETWEEN THE ATP-BINDING SITE AND THE REGULATORY PIF POCKET IN P PROTEIN KINASE. CELL CHEM BIOL V. 23 1193 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:402;
C:402;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
ATP D:500;
A:500;
B:401;
C:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LVP 2.5 Å EC: 2.7.11.1 HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH AN HM-PEPTIDE BOUND PIF-POCKET HOMO SAPIENS PROTEIN KINASE ALLOSTERIC REGULATION SMALL COMPOUNDS PIF-TRANSFERASE
Ref.: BIDIRECTIONAL ALLOSTERIC COMMUNICATION BETWEEN THE ATP-BINDING SITE AND THE REGULATORY PIF POCKET IN P PROTEIN KINASE. CELL CHEM BIOL V. 23 1193 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 5LVP - 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 82 families.
1 5LVP - 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 55 families.
1 5LVP - 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 : 5LVP; Ligand: ATP; Similar sites found: 273
This union binding pocket(no: 1) in the query (biounit: 5lvp.bio4) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4G9N NGA 0.02058 0.40058 1.3986
2 2VPQ ANP 0.0001424 0.50132 1.60772
3 4B1L FRU 0.009655 0.4065 1.81818
4 4U98 ACP 0.0000478 0.48745 1.92926
5 4OUJ LBT 0.001369 0.4462 1.9544
6 5C1P ADP 0.0003367 0.46701 1.96078
7 2GQS ADP 0.0008155 0.43452 2.1097
8 2GQS C2R 0.003143 0.41539 2.1097
9 3X01 AMP 0.0008583 0.46819 2.2508
10 5VZ0 ADP 0.0002188 0.45806 2.2508
11 1TZD ADP 0.0006274 0.4812 2.57235
12 1W2D ADP 0.0003347 0.47296 2.57235
13 4OYA 1VE 0.005386 0.46323 2.57235
14 3K5I ADP 0.0005808 0.424 2.57235
15 1Y7P RIP 0.006878 0.40085 2.69058
16 5DYO FLU 0.005895 0.42766 2.83019
17 5MRH Q9Z 0.0002694 0.48372 2.89389
18 4OCV ANP 0.0001462 0.4524 2.89389
19 1M0W ANP 0.001529 0.43942 2.89389
20 3WXL ADP 0.005324 0.42215 2.89575
21 4RDL FUC GAL NDG FUC 0.01933 0.40004 2.92208
22 4ZS4 ATP 0.000005413 0.50692 2.9316
23 5KBE IPH 0.009308 0.41417 3.05677
24 3VNM SDD 0.007403 0.41198 3.07167
25 3UDZ ADP 0.0000009329 0.59729 3.21543
26 1IA9 ANP 0.0001069 0.45717 3.21543
27 3ETH ATP 0.001303 0.40329 3.21543
28 3PDT ADP 0.00001723 0.51583 3.27273
29 3NZ1 3NY 0.01395 0.40823 3.44828
30 3ZJX BOG 0.0006817 0.47549 3.46021
31 1ZTH ADP 0.000007565 0.55025 3.48837
32 1ZP9 ATP 0.00002495 0.50689 3.48837
33 1F52 ADP 0.005179 0.41262 3.53698
34 5KJW 53C 0.01859 0.40489 3.53698
35 3VPC ADP 0.0003333 0.42668 3.5461
36 1S68 AMP 0.002994 0.40768 3.61446
37 4L4J NAG NAG BMA MAN NAG 0.0054 0.42929 3.61991
38 5FS0 5JC 0.01376 0.40122 3.79147
39 2CFM AMP 0.002594 0.43119 4.09982
40 2BKK ADP 0.001465 0.43776 4.14201
41 1PK8 ATP 0.0001297 0.42282 4.18006
42 5TDF ADP 0.008642 0.4126 4.18006
43 4XYM A12 0.001697 0.41122 4.18006
44 2GQR ADP 0.0006938 0.45774 4.21941
45 5IQD RIO 0.0001321 0.52452 4.2623
46 5IQD GNP 0.0001241 0.52452 4.2623
47 4YEE 4CQ 0.01669 0.40347 4.44444
48 1EHI ADP 0.0004765 0.43112 4.50161
49 3HQP OXL 0.01239 0.4009 4.50161
50 3WVR AMP 0.0002685 0.46414 4.82315
51 4R78 AMP 0.008619 0.41108 4.85437
52 3OV6 MK0 0.02414 0.40403 5.14469
53 3F5A SIA GAL NAG 0.01405 0.40053 5.28455
54 3ORQ ADP 0.0009689 0.41459 5.46624
55 2YW2 ATP 0.001592 0.4081 5.46624
56 5CPR 539 0.008354 0.41173 5.59701
57 2XG5 EC5 0.01006 0.40164 5.78035
58 2XG5 EC2 0.01006 0.40164 5.78035
59 1U6R IOM 0.006228 0.41708 5.78778
60 2WBV SIA 0.024 0.40582 5.82011
61 3PN1 IVH 0.001403 0.42053 6.10932
62 5LRT ADP 0.01377 0.40939 6.10932
63 3TDV GDP 0.000002161 0.52899 6.20915
64 5MW8 ATP 0.0000001023 0.6515 6.75241
65 5COU ATP 0.001953 0.43686 6.75241
66 3SHR CMP 0.009246 0.40519 7.02341
67 2PYW ADP 0.000007461 0.49188 7.07396
68 2YRX AMP 0.004208 0.43309 7.07396
69 3VPB ADP 0.000058 0.43153 7.14286
70 2W5P CL8 0.005642 0.43383 7.38255
71 5I35 ANP 0.00001118 0.51281 7.3955
72 4FE2 ADP 0.002551 0.42673 7.45098
73 4FE2 AIR 0.009271 0.40514 7.45098
74 4FMJ SIA GAL 0.01269 0.40643 7.61246
75 4FMJ SIA 0.01479 0.40113 7.61246
76 4OAV ACP 0.00000007049 0.60237 7.71704
77 5FJN BE2 0.03189 0.41231 7.71704
78 5FJN FAD 0.02861 0.41231 7.71704
79 4AZT LY2 0.00669 0.41182 7.71704
80 1TQP ATP 0.0000443 0.44459 7.80142
81 4O1P ANP 0.000000005356 0.69895 8.03859
82 3M3E GAL A2G NPO 0.006643 0.42081 8.07453
83 2ZL7 FUC GAL NGA 0.00885 0.41688 8.13559
84 2QX0 PH2 0.001547 0.46054 8.1761
85 4GYI ADP 0.00006362 0.50015 8.36013
86 5C4L 4XR 0.000005771 0.58263 8.68167
87 5C4L SIS 0.00009493 0.52274 8.68167
88 2PUL ACP 0.00001221 0.51092 8.68167
89 4DFU QUE 0.01042 0.41173 8.68167
90 4LO2 GAL BGC 0.001005 0.4736 8.84354
91 3H0L ADP 0.007582 0.40926 9.57447
92 3B6R CRN 0.001632 0.42148 9.6463
93 5K2M ADP 0.001197 0.45895 9.89011
94 1RZ1 NAD 0.01577 0.40397 9.93789
95 5U98 1KX 0.0468 0.4105 10.101
96 1I82 BGC BGC 0.0199 0.40093 10.582
97 3LQV ADE 0.004639 0.43069 11.3043
98 4AZW ATP 0.007893 0.41447 11.5756
99 1OBD ATP 0.000151 0.48295 11.7647
100 4Q5H ANP 0.00002274 0.49321 11.8421
101 3HAV ATP 0.0004628 0.48234 14.0468
102 5KO1 6UY 0.000002373 0.53873 15.5477
103 3TII ANP 0.002251 0.43408 15.7556
104 3KO0 TFP 0.01829 0.40882 16.8317
105 3VHE 42Q 0.0000004848 0.46219 17.6849
106 5GZ9 ANP 0.00000004487 0.66858 17.7049
107 2IF8 ADP 0.0004828 0.47793 18.328
108 4CS9 AMP 0.003936 0.4271 19.0476
109 2BOS GLA GAL 0.008891 0.40357 19.1176
110 4XMF HSM 0.000021 0.56626 20
111 3VSV XYS 0.01275 0.41076 21.2219
112 3H9R TAK 0.00003154 0.52862 21.865
113 5DZT AMP 0.007125 0.4202 23.1511
114 2QLU ADE 0.000003508 0.59495 23.7942
115 5VC5 96M 0.000000552 0.47741 24.9135
116 5CKW ANP 0.000177 0.48595 25.0804
117 3KMW ATP 0.0002179 0.46103 25.0923
118 5C03 AGS 0.0000007113 0.55021 26.3666
119 4IX4 ADP 0.0001006 0.50411 26.3666
120 4WOV 3SM 0.0000597 0.50141 26.3666
121 4WW7 AMP 0.00002291 0.46649 26.6667
122 2J0B UDP 0.006993 0.43119 26.6667
123 3NW7 LGV 0.000001432 0.63392 28.3388
124 5JFS 6K0 0.000001531 0.62505 28.5714
125 4FL3 ANP 0.00000000487 0.59218 28.9389
126 1K3A ACP 0.00000009339 0.62987 29.097
127 5HX8 66P 0.000000035 0.52252 29.1391
128 4GJ3 0XP 0.0000001663 0.47002 29.1391
129 4H3P ANP 0.000000002556 0.64591 29.2605
130 3VRY B43 0.00002084 0.4475 29.2605
131 5EOB 5QQ 0.0000001384 0.69586 29.582
132 4QTB 38Z 0.00000001496 0.51611 29.582
133 3C1X CKK 0.000007202 0.47641 29.582
134 1OPK P16 0.00002046 0.4122 29.582
135 5DBX ANP 0.00000001427 0.66723 29.9035
136 3LXN MI1 0.000000001262 0.62443 29.9035
137 3GNI ATP 0.00000001018 0.58972 29.9035
138 3UIM ANP 0.000001029 0.54628 29.9035
139 1Y57 MPZ 0.000004348 0.484 29.9035
140 4KBA 1QM 0.0000646 0.42134 29.9035
141 5MY8 RXZ 0.00000001539 0.54423 30.2251
142 4H3Q ANP 0.0000001158 0.53624 30.2251
143 4E1Z 0MX 0.00000008648 0.53898 30.2405
144 4AT3 LTI 0.000003463 0.4355 30.4348
145 5JKG 6LF 0.00000009946 0.68151 30.5466
146 4E93 GUI 0.0000007345 0.44922 30.5466
147 4Y93 746 0.000002064 0.47381 30.8682
148 5T8O 76Z 0.00002868 0.46827 30.8682
149 3PP0 03Q 0.00003908 0.427 30.8682
150 5U6C 7YS 0.00001455 0.47794 31.5113
151 1VJY 460 0.000001364 0.44492 31.5113
152 4IDT T28 0.000003362 0.53289 31.8328
153 5CEO 50D 0.000004717 0.56137 32
154 5X8I SQZ 0.00000001758 0.61205 32.1543
155 5HCY 60D 0.0000004895 0.40718 32.1543
156 4Y85 499 0.0004162 0.44563 32.2289
157 5JGA 6KC 0.00000006138 0.47013 32.4759
158 4YMJ 4EJ 0.0000004541 0.63315 32.8947
159 5BYZ 4WE 0.000002076 0.44323 33.119
160 5UR1 YY9 0.00000002516 0.42808 33.119
161 5USZ SKE 0.0000005825 0.48023 33.218
162 4CLI 5P8 0.0000004539 0.65651 33.3333
163 4XH0 ADP 0.000001219 0.61185 33.3333
164 3SLS ANP 0.00000001459 0.57469 33.3333
165 3I0O ADP 0.0005837 0.46162 33.3333
166 1I7L ATP 0.00005676 0.43695 33.3333
167 3E8N VRA 0.000000009382 0.42814 33.3333
168 3E8N ATP 0.000000009382 0.42814 33.3333
169 2IO8 ADP 0.0003351 0.41025 33.3333
170 4ASE AV9 0.000003339 0.44838 33.4405
171 4AG8 AXI 0.0000005602 0.43135 33.4405
172 2OO8 RAJ 0.000795 0.40765 33.4405
173 4CSV STI 0.0001729 0.42441 33.4545
174 3PLS ANP 0.000000001174 0.67682 33.557
175 2HK5 1BM 0.00003931 0.5234 33.7037
176 3RI1 3RH 0.00000001646 0.52793 33.7621
177 5MJA 7O3 0.00000948 0.52581 33.7705
178 3SXS PP2 0.0000006649 0.52507 33.9552
179 2PVF ACP 0.000000001939 0.66735 34.0836
180 1JPA ANP 0.00001088 0.55122 34.0836
181 3LXK MI1 0.00000007043 0.50099 34.0836
182 5N87 N66 0.00000003226 0.46403 34.0836
183 4P5Z Q7M 0.000009309 0.40156 34.0836
184 1U59 STU 0.00000003792 0.5987 34.1463
185 3SRV S19 0.0000001195 0.63248 34.296
186 5TO8 7FM 0.0000006767 0.42102 34.3972
187 5LXC 7AA 0.000000009773 0.67897 34.4051
188 3GQI ACP 0.000000006138 0.6299 34.4051
189 3HMO STU 0.0000001448 0.58922 34.4051
190 5HQ0 LZ9 0.00000009345 0.56181 34.4371
191 2XVD AS6 0.0000035 0.45302 34.4371
192 5HES 032 0.000002582 0.58196 34.5277
193 4F4P 0SB 0.00004734 0.56778 34.7985
194 4CRL C1I 0.000001908 0.42704 35.0482
195 4EWH T77 0.0000001799 0.48952 35.2727
196 1U5R ATP 0.000000002964 0.64467 35.3698
197 2A19 ANP 0.0000001309 0.63298 35.5634
198 2X2M X2M 0.00000002523 0.56487 35.6913
199 5FBN 5WF 0.000003974 0.59604 36.5314
200 2Y6O 1N1 0.0000059 0.48402 36.7698
201 2WU6 DKI 0.0000000259 0.55688 36.9775
202 3KRL KRL 0.00000005069 0.54821 36.9775
203 4QMN DB8 0.00000007023 0.45546 36.9775
204 5H2U 1N1 0.0002012 0.45144 37.0787
205 5DA3 58V 0.000005178 0.55798 37.3585
206 4D2S DYK 0.000001799 0.57105 37.6761
207 3EKK GS2 0.00000006562 0.45055 37.785
208 3BU5 ATP 0.000000009152 0.68808 37.9085
209 4YLL 4E3 0.0000001736 0.64051 37.9421
210 3ALN ANP 0.00000008236 0.55818 38.2637
211 3GC0 AMP 0.0000002024 0.61449 38.9058
212 5AWM ANP 0.00002202 0.52846 38.9068
213 1V0O INR 0.0000005047 0.54379 39.5833
214 4K33 ACP 0.000000000984 0.64496 40
215 5LPB ADP 0.000008211 0.54858 40
216 4BTK DTQ 0.00001051 0.54512 40
217 5LPZ ADP 0.000001337 0.5395 40
218 4CYI ATP 0.000004374 0.49366 40
219 3VOT ADP 0.0008751 0.45336 40
220 2QK4 ATP 0.000562 0.44465 40
221 2VQD AP2 0.0001803 0.44079 40
222 4BHN BH9 0.0000006501 0.52839 40.5145
223 5TA6 79D 0.0000001042 0.49835 40.5145
224 4I6H 1C8 0.000001507 0.53728 40.5844
225 1BYG STU 0.00000002466 0.63786 40.6475
226 4XLI 1N1 0.000006223 0.52049 40.6716
227 3IGO ANP 0.000000002735 0.59925 40.836
228 4LOO SB4 0.00003476 0.48054 40.836
229 2B9H ADP 0.000002402 0.57799 41.1576
230 3PTG 932 0.000001202 0.55782 41.1576
231 2B9J ADP 0.000002553 0.54064 41.1576
232 2B9F ADP 0.000001434 0.53785 41.1576
233 2B9I ADP 0.000002637 0.52859 41.1576
234 3TTI KBI 0.000001407 0.4732 41.1576
235 4YZC STU 0.000000001297 0.77408 41.4791
236 3HZT J60 0.0000001792 0.62658 41.4791
237 2VZ6 FEF 0.000001087 0.58106 41.4791
238 5EKO N17 0.0001595 0.49896 41.4791
239 4AU8 Z3R 0.00002208 0.52841 41.5541
240 4NST ADP 0.00000007348 0.58941 41.8006
241 3E7O 35F 0.000003419 0.42106 41.8006
242 4UX9 ANP 0.000000003578 0.61256 42.1222
243 4IZY 1J2 0.00000006119 0.56757 42.4437
244 2BPM 529 0.000000008808 0.4219 42.7184
245 2V7O DRN 0.00000009786 0.60227 42.7653
246 1CM8 ANP 0.0001592 0.46326 42.7653
247 1UNH IXM 0.000001174 0.57954 42.8082
248 3O0G 3O0 0.000002902 0.56817 42.8082
249 2WEL K88 0.0000001019 0.56858 43.0868
250 4CFU 2WC 0.000000113 0.60931 43.2343
251 4AUA 4AU 0.00000177 0.54402 43.3225
252 4BCM T7Z 0.00000034 0.6341 43.5216
253 4BCQ TJF 0.000004748 0.55975 43.5216
254 4BCN T9N 0.000001228 0.57864 43.6667
255 3GC8 B45 0.00005285 0.44859 44.0514
256 2XMY CDK 0.0000008053 0.66621 44.2953
257 5LMK 6ZK 0.000003235 0.5456 44.4444
258 2VN9 GVD 0.000000002579 0.72566 44.5183
259 2WEI VGG 0.00000652 0.53315 44.9477
260 2F57 23D 0.00000005606 0.62164 45.3376
261 5EFQ ADP 0.00000002761 0.60641 45.3376
262 2ZV2 609 0.000002014 0.57724 45.6376
263 1ZY5 ANP 0.000002095 0.54167 46.2046
264 3SXF BK5 0.00000002693 0.46419 46.3022
265 5UOX 8GY 0.0000009447 0.51303 46.4945
266 3F7Z 34O 0.0000002317 0.5656 46.6238
267 3ZRM ZRM 0.0000009146 0.5443 46.6238
268 2H8H H8H 0.00003848 0.48161 46.6667
269 4NM5 ADP 0.0000003029 0.51988 46.9453
270 2JLD AG1 0.00000001304 0.48706 46.9453
271 1PHK ATP 0.00000000009494 0.78494 47.9866
272 4L9I 8PR 0.00000006878 0.60344 48.5531
273 4FG8 ATP 0.00000000004605 0.67147 49.8392
Pocket No.: 2; Query (leader) PDB : 5LVP; Ligand: ATP; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 5lvp.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Y2H 49K 0.03837 0.40309 1.92926
2 1YFS ALA 0.02003 0.40244 1.92926
3 3ZGJ RMN 0.01109 0.40578 2.57235
4 2RDE C2E 0.007084 0.40637 3.18725
5 3I7V ATP 0.01818 0.40007 3.73134
6 3H2K BOG 0.01819 0.40051 4.82315
7 1QKQ MAN 0.01063 0.40067 9.85915
8 1CBK ROI 0.01603 0.40465 13.125
9 3OCP CMP 0.008805 0.40619 14.3885
10 2BOS GLA GAL GLC 0.006805 0.40748 19.1176
11 3KA2 2NC 0.009534 0.44206 33.3333
Pocket No.: 3; Query (leader) PDB : 5LVP; Ligand: ATP; Similar sites found: 13
This union binding pocket(no: 3) in the query (biounit: 5lvp.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4J6O CIT 0.01627 0.40208 1.51515
2 3VY6 BGC BGC 0.01033 0.41436 2.12766
3 4B0T ADP 0.01116 0.41383 3.53698
4 1MJT ITU 0.008548 0.407 3.85852
5 3AFN NAP 0.02381 0.40776 3.87597
6 1KR3 113 0.01613 0.40227 3.87931
7 4RT1 C2E 0.004819 0.40007 4.46429
8 4HXY ACA 0.0012 0.46447 5.70776
9 4J1Q NDP 0.01663 0.40956 6.10932
10 3AB4 THR 0.01042 0.40273 6.17978
11 4HIA FMN 0.03264 0.40188 7.95455
12 5XLY C2E 0.003065 0.40043 11.2782
13 5ML3 DL3 0.01118 0.42753 24.8322
Pocket No.: 4; Query (leader) PDB : 5LVP; Ligand: ATP; Similar sites found: 13
This union binding pocket(no: 4) in the query (biounit: 5lvp.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GQG DCD 0.01332 0.4033 1.92926
2 2AQX ATP 0.0009978 0.41143 2.89389
3 4O4F ATP 0.0005202 0.40877 2.89389
4 4O4F IHP 0.0005667 0.40273 2.89389
5 3A7R LAQ 0.02586 0.40464 3.53698
6 4UWH JXM 0.003646 0.41764 5.14469
7 5T96 79J 0.01585 0.405 5.14469
8 3LXI CAM 0.01241 0.41183 5.78778
9 5HP8 PYR 0.008229 0.40333 6.45161
10 4K55 H6P 0.01524 0.41021 8.87097
11 1I1E DM2 0.01719 0.40305 9.32476
12 1VRP IOM 0.003004 0.43899 14.791
13 5NKB 8ZT 0.000001025 0.41307 32.6797
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