Receptor
PDB id Resolution Class Description Source Keywords
1PK8 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RAT SYNAPSIN I C DOMAIN COMPLEXED TO CA.ATP RATTUS NORVEGICUS ATP BINDING ATP GRASP CALCIUM (II) ION MEMBRANE PROTEIN
Ref.: TETRAMERIZATION AND ATP BINDING BY A PROTEIN COMPRISING THE A, B, AND C DOMAINS OF RAT SYNAPSIN I. J.BIOL.CHEM. V. 279 11948 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:800;
B:801;
C:802;
D:803;
E:804;
F:805;
G:806;
H:807;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 120 nM
507.181 C10 H16 N5 O13 P3 c1nc(...
CA A:817;
B:817;
C:817;
D:817;
E:817;
F:817;
G:817;
H:817;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
EDO A:818;
B:819;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PK8 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RAT SYNAPSIN I C DOMAIN COMPLEXED TO CA.ATP RATTUS NORVEGICUS ATP BINDING ATP GRASP CALCIUM (II) ION MEMBRANE PROTEIN
Ref.: TETRAMERIZATION AND ATP BINDING BY A PROTEIN COMPRISING THE A, B, AND C DOMAINS OF RAT SYNAPSIN I. J.BIOL.CHEM. V. 279 11948 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1PX2 Kd = 120 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1PK8 Kd = 120 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1PX2 Kd = 120 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1PK8 Kd = 120 nM 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 922 families.
1 1AUX - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 1I7L - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1PX2 Kd = 120 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1PK8 Kd = 120 nM 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 : 1PK8; Ligand: ATP; Similar sites found: 311
This union binding pocket(no: 1) in the query (biounit: 1pk8.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X2M X2M 0.002665 0.40085 1.27389
2 3M2W L8I 0.0003335 0.40831 1.33779
3 3PP0 03Q 0.001793 0.41193 1.47929
4 2IF8 ADP 0.0007843 0.48685 1.65289
5 4ANW O92 0.003966 0.41215 1.65877
6 3E7O 35F 0.001167 0.43406 1.66667
7 3PLS ANP 0.0000223 0.45587 1.67785
8 4IDT T28 0.0004633 0.47019 1.68539
9 3ETH ATP 0.0000001212 0.5632 1.69014
10 5T8O 76Z 0.000271 0.46655 1.7192
11 2F2U M77 0.000169 0.50789 1.74129
12 5AWM ANP 0.00002322 0.432 1.77665
13 5M06 ADP 0.0003363 0.40891 1.81159
14 2PZI AXX 0.002894 0.44219 1.89573
15 4Y0X ADP 0.0001758 0.42412 1.89573
16 4O1P ANP 0.000467 0.41879 1.89573
17 1M0W ANP 0.0004605 0.41121 1.89573
18 3VM7 GLC 0.0329 0.40234 1.89573
19 5VCV 1N1 0.001405 0.41804 1.92926
20 3C0G 3AM 0.0005197 0.42666 1.9943
21 5IH9 6BF 0.001095 0.43922 2.08955
22 1U59 STU 0.0007986 0.45473 2.09059
23 4BFM ANP 0.00008242 0.45429 2.09581
24 4U44 3D9 0.001201 0.403 2.10843
25 4KS7 X4Z 0.00002897 0.49839 2.1327
26 5MY8 RXZ 0.0009329 0.4287 2.1327
27 5UIU 8CG 0.001757 0.42392 2.1327
28 2JBM SRT 0.01941 0.40851 2.1327
29 4Y93 746 0.003658 0.40493 2.1327
30 2QK4 ATP 0.0001825 0.40089 2.1327
31 3ZGJ RMN 0.02611 0.40743 2.15633
32 3PN1 IVH 0.00002637 0.42017 2.20126
33 3KAL ADP 0.0001906 0.42204 2.20441
34 2YAB AMP 0.001971 0.4009 2.21607
35 2PUL ACP 0.0001963 0.48737 2.267
36 5GZ9 ANP 0.0003612 0.43703 2.29508
37 1U5R ATP 0.0002005 0.48696 2.29885
38 5HX8 66P 0.0002256 0.44761 2.31788
39 4GJ3 0XP 0.0007367 0.44085 2.31788
40 3KMW ATP 0.00009485 0.50193 2.32558
41 4LH7 1X8 0.0001041 0.53535 2.36967
42 4N70 2HX 0.0008149 0.457 2.36967
43 3CY2 MB9 0.0002082 0.4465 2.36967
44 3TTI KBI 0.001026 0.41723 2.36967
45 2F57 23D 0.0004999 0.40636 2.36967
46 4AQ4 G3P 0.03579 0.40019 2.36967
47 4OCJ NDG 0.001402 0.43718 2.37467
48 4NZN ANP 0.000006132 0.43169 2.42424
49 4NZN 2OU 0.000006132 0.43169 2.42424
50 3GC8 B45 0.0002406 0.46439 2.43243
51 3G5D 1N1 0.0007721 0.46361 2.44755
52 5TDF ADP 0.00004376 0.4599 2.46914
53 5A6N U7E 0.0006917 0.41854 2.4735
54 3TKI S25 0.00208 0.44297 2.47678
55 2HY0 306 0.00165 0.45397 2.48447
56 4IJP 1EH 0.0001827 0.44086 2.51397
57 4ZS4 ATP 0.0001371 0.43991 2.60586
58 2HGS ADP 0.00003887 0.47565 2.60664
59 5IQD GNP 0.006568 0.40784 2.62295
60 5IQD RIO 0.006976 0.40784 2.62295
61 3HMO STU 0.0005632 0.46628 2.63158
62 3HAV ATP 0.004735 0.40199 2.67559
63 2R5T ANP 0.0004327 0.45359 2.68097
64 5HCY 60D 0.0005156 0.46137 2.71903
65 3KN5 ANP 0.00002015 0.44273 2.76923
66 2YAK OSV 0.0003204 0.45412 2.80702
67 4EUU BX7 0.0002924 0.45068 2.82132
68 3WO0 ALA 0.00001511 0.51992 2.8436
69 2IO8 ADP 0.000004814 0.51556 2.8436
70 4WOV 3SM 0.002038 0.44954 2.8436
71 3WO0 ADP 0.004023 0.44667 2.8436
72 4WNK 453 0.00298 0.41454 2.8436
73 5C03 AGS 0.0006275 0.40854 2.8436
74 4PU5 ANP 0.005874 0.40246 2.8436
75 5HVJ ANP 0.00003071 0.56455 2.85714
76 4WHZ 3NL 0.004138 0.42642 2.85714
77 5N87 N66 0.001473 0.43384 2.8754
78 3PDT ADP 0.0003786 0.47938 2.90909
79 4NFN 2KC 0.01025 0.40811 2.91262
80 5FBN 5WF 0.004664 0.41173 2.95203
81 4FL3 ANP 0.002408 0.42197 2.99213
82 4BHN BH9 0.00041 0.42549 2.99401
83 3KRR DQX 0.001208 0.46066 3.05085
84 3IGO ANP 0.00003728 0.49872 3.08057
85 5U6C 7YS 0.00005319 0.46379 3.08057
86 1Y57 MPZ 0.0008628 0.4228 3.08057
87 4XV1 904 0.0001189 0.47649 3.08219
88 1Z2P ACP 0.00002745 0.4285 3.08642
89 1Z2P I3S 0.00002745 0.4285 3.08642
90 1RE8 BD2 0.000231 0.47855 3.14286
91 4WB6 ATP 0.0005936 0.43831 3.14286
92 3IDB ANP 0.0003663 0.43707 3.14286
93 3LXN MI1 0.0001531 0.44363 3.14465
94 1GSA ADP 0.00000004684 0.58819 3.16456
95 4OCV ANP 0.0004117 0.41944 3.16623
96 2QLU ADE 0.0002492 0.50999 3.18471
97 5UR1 YY9 0.002171 0.43361 3.21543
98 2JDR L20 0.001292 0.4546 3.21637
99 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.001292 0.4546 3.21637
100 4CQE CQE 0.001189 0.43497 3.23741
101 2GU8 796 0.0002821 0.48285 3.2641
102 5MJA 7O3 0.0003111 0.4107 3.27869
103 2PVF ACP 0.0006575 0.41147 3.29341
104 2XVD AS6 0.001027 0.43193 3.31126
105 2YW2 ATP 0.00001654 0.51908 3.31754
106 4P5Z Q7M 0.002564 0.42615 3.3241
107 2HK5 1BM 0.001014 0.4112 3.33333
108 2ZV2 609 0.0004967 0.48476 3.3557
109 5DEY 59T 0.0009928 0.45704 3.367
110 4K33 ACP 0.001013 0.41163 3.38462
111 5LI1 ANP 0.0003376 0.43432 3.38983
112 5LI9 ACP 0.0004334 0.46211 3.42857
113 3OFM 4B0 0.000008505 0.45231 3.42857
114 2Y6O 1N1 0.0005921 0.44781 3.43643
115 1Q8Y ADP 0.000248 0.43441 3.48525
116 1Q8Y ADE 0.00005452 0.41237 3.48525
117 4M69 ANP 0.0002128 0.43639 3.51438
118 4GYI ADP 0.001105 0.46238 3.52645
119 1IA9 ANP 0.00001607 0.52528 3.5545
120 2Q7D ANP 0.00002318 0.48611 3.5545
121 2QF7 AGS 0.0003614 0.4487 3.5545
122 4UWH JXM 0.00338 0.43454 3.5545
123 3X01 AMP 0.0006328 0.49431 3.56234
124 2R7K AMZ 0.0003705 0.44994 3.60111
125 4L3L 5FI 0.00006638 0.48204 3.61842
126 3TXO 07U 0.00009074 0.42994 3.68272
127 4TWP AXI 0.0007227 0.45617 3.69004
128 5UOX 8GY 0.0005115 0.42625 3.69004
129 2XK9 XK9 0.00127 0.43652 3.72671
130 4XLI 1N1 0.0004745 0.40989 3.73134
131 1W2D ADP 0.002578 0.44941 3.77358
132 2QCS ANP 0.0005225 0.44053 3.78007
133 3K5I ADP 0.0000003957 0.58918 3.79147
134 3PE2 E1B 0.0001122 0.49205 3.79147
135 3K5I AIR 0.000002219 0.49029 3.79147
136 3SXF BK5 0.0004417 0.45431 3.79147
137 4E1Z 0MX 0.0003898 0.43572 3.79147
138 5VC5 96M 0.001226 0.42725 3.80623
139 2PYW ADP 0.0002282 0.43563 3.80952
140 4OTH DRN 0.000204 0.44161 3.81232
141 3I0O ADP 0.00001418 0.56107 3.83481
142 4YLL 4E3 0.0001833 0.44836 3.87812
143 1O9U ADZ 0.00001632 0.5627 4
144 4U98 ACP 0.00002648 0.52747 4.02844
145 3NW7 LGV 0.007604 0.41317 4.02844
146 1K3A ACP 0.0004531 0.40644 4.02844
147 4JDI ANP 0.00198 0.40375 4.04624
148 1XJD STU 0.00008066 0.44618 4.05797
149 3GJ0 GDP 0.02518 0.40026 4.0724
150 3SXS PP2 0.001107 0.44013 4.10448
151 4X7Q 3YR 0.001262 0.44577 4.16667
152 3QCQ 3Q0 0.008062 0.43431 4.16667
153 5LVP ATP 0.0001297 0.42282 4.18006
154 4I6H 1C8 0.0007688 0.45547 4.22078
155 2PVN P63 0.0001182 0.4463 4.26136
156 5JFS 6K0 0.0006675 0.45316 4.2654
157 4AXD ANP 0.001622 0.43452 4.2654
158 3UIM ANP 0.00006399 0.4417 4.29448
159 5I35 ANP 0.0002198 0.41709 4.3257
160 3V8S 0HD 0.00006375 0.4416 4.39024
161 5JGA 6KC 0.002591 0.41978 4.44444
162 2VZ6 FEF 0.006209 0.42616 4.47284
163 5USZ SKE 0.0002033 0.45881 4.49827
164 1UZ4 IFL 0.01528 0.41582 4.50237
165 4WNP 3RJ 0.0001716 0.41596 4.52962
166 3EKK GS2 0.001466 0.43517 4.56026
167 5HES 032 0.001034 0.41606 4.56026
168 3BU5 ATP 0.0008707 0.4085 4.57516
169 5KO1 6UY 0.0002899 0.41738 4.59364
170 4YMJ 4EJ 0.00003952 0.55852 4.60526
171 5TO8 7FM 0.0009718 0.44508 4.60993
172 4NW6 2NS 0.0008841 0.4016 4.64396
173 1E4E ADP 0.0000091 0.48448 4.66472
174 3HZT J60 0.0000735 0.41617 4.71092
175 2CSN CKI 0.0003002 0.45022 4.7138
176 2X4Z X4Z 0.0003722 0.4574 4.72973
177 3V4S ATP 0.0000001022 0.56668 4.73934
178 3V4S ADP 0.000003921 0.54128 4.73934
179 5VZ0 ADP 0.0000003298 0.51548 4.73934
180 2V7O DRN 0.00008445 0.41502 4.73934
181 3DAK ANP 0.0006061 0.46975 4.82759
182 4IZY 1J2 0.00005254 0.49737 4.87805
183 4CLI 5P8 0.001509 0.44141 4.89297
184 5C1P DAL DAL 0.00002718 0.49015 4.90196
185 5C1P ADP 0.00000197 0.47754 4.90196
186 4MV1 ADP 0.0004379 0.45162 4.91453
187 1OUK 084 0.001067 0.482 4.91803
188 3AKK ADP 0.001054 0.40697 4.92308
189 4YZC STU 0.0009709 0.44267 4.9763
190 1Q8A HCS 0.008592 0.43516 4.9763
191 3SLS ANP 0.001375 0.4323 4.9763
192 5DRB 5FJ 0.003489 0.42777 4.9763
193 1TQP ATP 0.001338 0.42575 4.9763
194 3SLS 77D 0.005416 0.4172 4.9763
195 1CM8 ANP 0.0002982 0.41642 4.9763
196 2Z7R STU 0.00006074 0.48973 4.98442
197 2OO8 RAJ 0.001704 0.4044 5.04732
198 2RIO ADP 0.000997 0.40281 5.06912
199 3FUR Z12 0.01386 0.40275 5.14706
200 3ZRM ZRM 0.00002624 0.45925 5.21327
201 4NM5 ADP 0.0001335 0.45411 5.21327
202 3F7Z 34O 0.0001353 0.43695 5.21327
203 4YZN 4K5 0.0007604 0.42546 5.21327
204 2JLD AG1 0.0003504 0.41447 5.21327
205 3UDZ ADP 0.0007124 0.41261 5.21327
206 4UX9 ANP 0.00004934 0.49855 5.21978
207 2J7T 274 0.003827 0.4101 5.29801
208 3FHR P4O 0.00413 0.41886 5.35714
209 3KRL KRL 0.002457 0.40101 5.37313
210 1BYG STU 0.0003729 0.4106 5.39568
211 5AX9 4KT 0.0009597 0.40295 5.45024
212 2Z48 NGA 0.03139 0.40665 5.55556
213 4JR7 GNP 0.00008618 0.44075 5.61497
214 1KJ8 ATP 0.000001952 0.47192 5.6266
215 1KJ8 GAR 0.000002138 0.46568 5.6266
216 5HQ0 LZ9 0.0001423 0.44399 5.62914
217 5EOB 5QQ 0.0002526 0.48403 5.64263
218 2CFM AMP 0.0009559 0.47071 5.6872
219 3ALN ANP 0.003998 0.41598 5.6872
220 4NST ADP 0.00009299 0.44069 5.69801
221 4KBA 1QM 0.003407 0.44837 5.74018
222 5W4W 9WG 0.001315 0.43053 5.74018
223 5EFQ ADP 0.00006774 0.44505 5.76369
224 5X8I SQZ 0.0001266 0.43555 5.78035
225 1T36 ADP 0.000007233 0.5174 5.92417
226 5H2U 1N1 0.0009382 0.40141 5.99251
227 4AT3 LTI 0.001629 0.4 6.02007
228 2VQD AP2 0.0000002645 0.54712 6.03448
229 1PHK ATP 0.0001625 0.43653 6.04027
230 4CSV STI 0.001615 0.41032 6.18182
231 1VJY 460 0.0007797 0.44129 6.27063
232 4BCQ TJF 0.00008619 0.41604 6.31229
233 4BCM T7Z 0.00004075 0.41458 6.31229
234 4BCN T9N 0.0001029 0.51211 6.33333
235 2XMY CDK 0.001032 0.46448 6.37584
236 4Q5H ANP 0.002491 0.43244 6.57895
237 5L8L ADP 0.0004938 0.40332 6.66667
238 5DA3 58V 0.0008562 0.47308 6.79245
239 3SRV S19 0.0004295 0.41486 6.85921
240 4F4P 0SB 0.007046 0.42354 6.95971
241 4BKJ STI 0.002158 0.41412 6.98413
242 4U0I 0LI 0.006392 0.4023 6.98413
243 5EW9 5VC 0.005652 0.44781 7.01107
244 2A19 ANP 0.0004386 0.48743 7.04225
245 3ORK AGS 0.000772 0.43199 7.07396
246 3E5A VX6 0.001277 0.42324 7.08955
247 3FHI ANP 0.0004374 0.44364 7.14286
248 5AIG VPR 0.007503 0.42643 7.2
249 3GNI ATP 0.002005 0.42896 7.33138
250 4ASE AV9 0.003901 0.4069 7.36544
251 4CRL C1I 0.0003437 0.45742 7.36842
252 4OH4 ANP 0.000224 0.47963 7.50751
253 2WQN ADP 0.001946 0.45051 7.58294
254 3GGF GVD 0.0006728 0.46761 7.81991
255 5DMZ ADP 0.002274 0.43422 7.81991
256 5JZJ AN2 0.0007997 0.40599 7.81991
257 4H3Q ANP 0.00008769 0.46096 8.01105
258 2VPQ ANP 0.00000002555 0.59666 8.05687
259 2B4B B33 0.009797 0.42985 8.18713
260 2WEL K88 0.00005438 0.40312 8.25688
261 2OFV 242 0.001274 0.43647 8.30325
262 3MVH WFE 0.000779 0.43836 8.47953
263 4Y8D 49J 0.0004169 0.46746 8.53081
264 4XYM A12 0.00007602 0.44581 8.69565
265 3RI1 3RH 0.00006573 0.47676 8.76777
266 4AUA 4AU 0.0005191 0.40978 8.79479
267 3LXK MI1 0.0004374 0.43101 8.8685
268 2VN9 GVD 0.00008403 0.41348 8.9701
269 3DLS ADP 0.00002877 0.44689 9.55224
270 1IOW PHY 0.0000001504 0.59843 9.71564
271 1IOW ADP 0.0000001504 0.59843 9.71564
272 2B9J ADP 0.0001168 0.49777 9.91501
273 2B9H ADP 0.000143 0.44057 9.91501
274 4QTB 38Z 0.0001152 0.47056 10
275 1IYB 5GP 0.01364 0.41774 10.0962
276 5TA6 79D 0.002156 0.41732 10.1896
277 2B9F ADP 0.00009163 0.44105 10.1983
278 2V58 LZJ 0.000001912 0.43823 10.245
279 3VPB ADP 0.000000002726 0.65015 10.2837
280 3VPC ADP 0.00000001514 0.64246 10.2837
281 4F9C 0SX 0.00002835 0.44918 10.4167
282 1ZY5 ANP 0.0008613 0.40416 10.4265
283 4GLW 0XT 0.00009049 0.41205 10.4918
284 4H3P ANP 0.00007008 0.44511 10.4972
285 5BVE 4VG 0.0008549 0.46583 10.5263
286 1EHI ADP 0.000000241 0.5383 10.6101
287 3VPD ANP 0.00000006647 0.57577 10.6762
288 4UAL 3FV 0.00007228 0.44436 10.7399
289 4CFU 2WC 0.00007467 0.51261 11.4504
290 4AU8 Z3R 0.0001686 0.50794 11.4865
291 4USF 6UI 0.001645 0.41483 11.5132
292 3O0G 3O0 0.0002849 0.41884 11.6438
293 1UNH IXM 0.0001611 0.41711 11.6438
294 1V0O INR 0.0006968 0.45301 11.8056
295 2WU6 DKI 0.0001364 0.47042 11.811
296 5MW8 ATP 0.0004805 0.43333 11.8483
297 4QMN DB8 0.0004477 0.45543 13.2258
298 4A4X JUP 0.000472 0.44231 13.6201
299 3RE4 TO1 0.0006719 0.47828 14.3411
300 3VOT ADP 0.000002486 0.46397 14.455
301 1ZP9 ATP 0.0007049 0.40275 14.7287
302 3PVW QRX 0.002053 0.41082 14.8649
303 3ORQ ADP 0.00000002394 0.64187 14.9289
304 4C2V YJA 0.001629 0.42527 15.0877
305 4C2W ANP 0.0003532 0.40927 15.4122
306 5EYK 5U5 0.0009753 0.43127 15.5797
307 5UKL SIX 0.002155 0.41733 17.7419
308 2B9I ADP 0.0001777 0.48416 19.0476
309 4W9F 3JU 0.00834 0.43339 21.6495
310 4B9K TG0 0.01068 0.42315 21.6495
311 4W9H 3JF 0.01967 0.40187 21.6495
Pocket No.: 2; Query (leader) PDB : 1PK8; 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: 1pk8.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1pk8.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1PK8; 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: 1pk8.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found: 8
This union binding pocket(no: 5) in the query (biounit: 1pk8.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LOO SB4 0.001029 0.40192 4.98615
2 4FE2 ADP 0.01417 0.4088 5.4902
3 2AQX ATP 0.002529 0.4017 5.53633
4 3DGY 2GP 0.03584 0.40233 6.18557
5 3PNA CMP 0.0272 0.40241 7.14286
6 1IZO PAM 0.02804 0.40173 7.43405
7 2WW2 SWA 0.01092 0.42529 11.1374
8 3GC0 AMP 0.0005147 0.40255 11.8541
Pocket No.: 6; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1pk8.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1pk8.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1pk8.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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