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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 1443 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 (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 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: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 457
This union binding pocket(no: 1) in the query (biounit: 1pk8.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2X2M X2M 1.27389
2 5CEO 50D 1.33333
3 3M2W L8I 1.33779
4 4OAV ACP 1.4218
5 1GPM AMP 1.4218
6 3PP0 03Q 1.47929
7 2IF8 ADP 1.65289
8 4L9I 8PR 1.65877
9 6EZ6 C5Z 1.65877
10 5AE9 OKO 1.65877
11 5OLK DTP 1.65877
12 3E7O 35F 1.66667
13 3PLS ANP 1.67785
14 4IDT T28 1.68539
15 3ETH ATP 1.69014
16 4ZGP ADP 1.70648
17 5T8O 76Z 1.7192
18 2F2U M77 1.74129
19 5AWM ANP 1.77665
20 5M06 ADP 1.81159
21 4G17 0VN 1.81818
22 3C1X CKK 1.87668
23 3Q60 ATP 1.88679
24 6ES0 BW8 1.89274
25 4PZ6 GMP 1.89573
26 4CC6 L5Y 1.89573
27 1M0W ANP 1.89573
28 4O1P ANP 1.89573
29 2PZI AXX 1.89573
30 4Y0X ADP 1.89573
31 3VM7 GLC 1.89573
32 4CSD MFU 1.89573
33 5VCV 1N1 1.92926
34 4OUC 5ID 1.96078
35 6G34 5ID 1.96078
36 1PCA VAL 1.98511
37 3C0G 3AM 1.9943
38 5IH9 6BF 2.08955
39 1U59 STU 2.09059
40 4BFM ANP 2.09581
41 4U44 3D9 2.10843
42 6F3G CJN 2.1327
43 2QK4 ATP 2.1327
44 4KS7 X4Z 2.1327
45 6BFN DL1 2.1327
46 5MY8 RXZ 2.1327
47 3VRY B43 2.1327
48 4CYI ATP 2.1327
49 2JBM SRT 2.1327
50 4Y93 746 2.1327
51 5UIU 8CG 2.1327
52 3ZGJ RMN 2.15633
53 3TY5 ATP 2.17918
54 3TY5 ADP 2.17918
55 3PN1 IVH 2.20126
56 3KAL ADP 2.20441
57 2YAB AMP 2.21607
58 5DH3 5BS 2.22222
59 2PUL ACP 2.267
60 5GZ9 ANP 2.29508
61 1U5R ATP 2.29885
62 5WO4 B7V 2.31788
63 4GJ3 0XP 2.31788
64 3KMW ATP 2.32558
65 4LH7 1X8 2.36967
66 3CY2 MB9 2.36967
67 4N70 2HX 2.36967
68 3TTI KBI 2.36967
69 1OPK P16 2.36967
70 2F57 23D 2.36967
71 4AQ4 G3P 2.36967
72 4OCJ NDG 2.37467
73 4NZN 2OU 2.42424
74 4NZN ANP 2.42424
75 3GC8 B45 2.43243
76 2WEI VGG 2.43902
77 3G5D 1N1 2.44755
78 5TDF ADP 2.46914
79 5A6N U7E 2.4735
80 2IOY RIP 2.4735
81 3TKI S25 2.47678
82 4FF8 14S 2.47678
83 2HY0 306 2.48447
84 4IJP 1EH 2.51397
85 4NFE BEN 2.53165
86 4FG8 ATP 2.53968
87 4ZS4 ATP 2.60586
88 2HGS ADP 2.60664
89 4AZI OAN 2.60664
90 5T63 ALA ALA ALA ALA 2.60664
91 6CGD AKN 2.62295
92 6CGD GNP 2.62295
93 3HMO STU 2.63158
94 4BTK DTQ 2.67062
95 3HAV ATP 2.67559
96 2R5T ANP 2.68097
97 2HW1 FRU 2.68456
98 4WB7 ATP 2.71605
99 5HCY 60D 2.71903
100 3KN5 ANP 2.76923
101 2YAK OSV 2.80702
102 1S68 AMP 2.81124
103 4EUU BX7 2.82132
104 3WO0 ADP 2.8436
105 3WO0 ALA 2.8436
106 2IO8 ADP 2.8436
107 2YRX AMP 2.8436
108 5C03 AGS 2.8436
109 4WOV 3SM 2.8436
110 4PNI KQQ 2.8436
111 4WNK 453 2.8436
112 1SR9 KIV 2.8436
113 4PU5 ANP 2.8436
114 5QIN J2V 2.8481
115 5HVJ ANP 2.85714
116 4WHZ 3NL 2.85714
117 5N87 N66 2.8754
118 3WXL ADP 2.89575
119 3PDT ADP 2.90909
120 5FBN 5WF 2.95203
121 4FL3 ANP 2.99213
122 4BHN BH9 2.99401
123 4DC2 ADE 3.0303
124 3PTG 932 3.0303
125 5OMY 9YE 3.06905
126 3IGO ANP 3.08057
127 5U6C 7YS 3.08057
128 1Y57 MPZ 3.08057
129 1MJT ITU 3.08057
130 4XV1 904 3.08219
131 1Z2P I3S 3.08642
132 1Z2P ACP 3.08642
133 6CMJ F6J 3.11526
134 1RE8 BD2 3.14286
135 3IDB ANP 3.14286
136 4WB6 ATP 3.14286
137 3LXN MI1 3.14465
138 1GSA ADP 3.16456
139 4OCV ANP 3.16623
140 2QLU ADE 3.18471
141 1JPA ANP 3.20513
142 6GZD LCI 3.20856
143 5UR1 YY9 3.21543
144 2JDR L20 3.21637
145 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 3.21637
146 4JGP PYR 3.22581
147 4CQE CQE 3.23741
148 5EQY 5RA 3.2419
149 2GU8 796 3.2641
150 5MJA 7O3 3.27869
151 2PVF ACP 3.29341
152 6BXI ANP 3.3033
153 6FYL 3NG 3.30579
154 2XVD AS6 3.31126
155 5OES ADP 3.31754
156 2YW2 ATP 3.31754
157 4P5Z Q7M 3.3241
158 2HK5 1BM 3.33333
159 6F7X MFU 3.33333
160 2ZV2 609 3.3557
161 5DEY 59T 3.367
162 4K33 ACP 3.38462
163 5LI1 ANP 3.38983
164 6E2O S0L 3.38983
165 5LI9 ACP 3.42857
166 2Y6O 1N1 3.43643
167 1Q8Y ADP 3.48525
168 1Q8Y ADE 3.48525
169 5EH0 5NW 3.48837
170 4M69 ANP 3.51438
171 4GYI ADP 3.52645
172 5YF9 NIO 3.53982
173 1IA9 ANP 3.5545
174 2Q7D ANP 3.5545
175 2QF7 AGS 3.5545
176 4UWH JXM 3.5545
177 6GN6 MAL 3.5545
178 2XOC ADP 3.5545
179 1Q19 SSC 3.5545
180 2HK9 SKM 3.5545
181 3X01 AMP 3.56234
182 2R7K ACP 3.60111
183 2R7K AMZ 3.60111
184 4L3L 5FI 3.61842
185 1TZD ADP 3.63636
186 4I94 ANP 3.66667
187 3TXO 07U 3.68272
188 4TWP AXI 3.69004
189 2XK9 XK9 3.72671
190 5Y02 MXN 3.73832
191 1W2D ADP 3.77358
192 2QCS ANP 3.78007
193 3K5I ADP 3.79147
194 3PE2 E1B 3.79147
195 3K5I AIR 3.79147
196 4E1Z 0MX 3.79147
197 4ONA UW1 3.79147
198 2H8H H8H 3.79147
199 5VC5 96M 3.80623
200 2PYW ADP 3.80952
201 4OTH DRN 3.81232
202 2FB3 MET 3.82353
203 2FB3 5AD 3.82353
204 3I0O ADP 3.83481
205 1NE6 SP1 3.88693
206 6A1G 9OL 3.88889
207 4QXB OGA 3.95137
208 1O9U ADZ 4
209 4U98 ACP 4.02844
210 3NW7 LGV 4.02844
211 1K3A ACP 4.02844
212 3U6W KIV 4.02844
213 1F9V ADP 4.03458
214 1XJD STU 4.05797
215 3GJ0 GDP 4.0724
216 5WNL STU 4.09357
217 3SXS PP2 4.10448
218 1VLT ASP 4.10959
219 4X7Q 3YR 4.16667
220 5LVP ATP 4.18006
221 3RWP ABQ 4.18006
222 4R78 AMP 4.20712
223 2GQR ADP 4.21941
224 4I6H 1C8 4.22078
225 1IHU AF3 4.24448
226 2PVN P63 4.26136
227 6FL8 ADP 4.2654
228 6FL8 TIY 4.2654
229 5NLM IOS 4.2654
230 5JFS 6K0 4.2654
231 3UIM ANP 4.29448
232 3W0O ADP 4.29799
233 3W0O HY0 4.29799
234 5I35 ANP 4.3257
235 3V8S 0HD 4.39024
236 2VZ6 FEF 4.47284
237 5USZ SKE 4.49827
238 1UZ4 IFL 4.50237
239 4WNP 3RJ 4.52962
240 3EKK GS2 4.56026
241 5HES 032 4.56026
242 5NKB 8ZT 4.57516
243 3BU5 ATP 4.57516
244 1IR3 ANP 4.57516
245 5KO1 6UY 4.59364
246 4YMJ 4EJ 4.60526
247 5TO8 7FM 4.60993
248 2GQS ADP 4.64135
249 4NW6 2NS 4.64396
250 1E4E ADP 4.66472
251 3HZT J60 4.71092
252 2CSN CKI 4.7138
253 3V4S ATP 4.73934
254 3V4S ADP 4.73934
255 5VZ0 ADP 4.73934
256 5YK1 ANP 4.73934
257 2V7O DRN 4.73934
258 4TVD BGC 4.73934
259 6FYV 3NG 4.74777
260 1FAO 4IP 4.7619
261 5XVG 8FX 4.77816
262 3DAK ANP 4.82759
263 4IZY 1J2 4.87805
264 4CLI 5P8 4.89297
265 5C1P ADP 4.90196
266 5C1P DAL DAL 4.90196
267 4MV1 ADP 4.91453
268 3AKK ADP 4.92308
269 1CM8 ANP 4.9763
270 3E8N ATP 4.9763
271 3E8N VRA 4.9763
272 4YZC STU 4.9763
273 1Q8A HCS 4.9763
274 3SLS ANP 4.9763
275 3BOF HCS 4.9763
276 5DRB 5FJ 4.9763
277 1TQP ATP 4.9763
278 3SLS 77D 4.9763
279 2Z7R STU 4.98442
280 4LOO SB4 4.98615
281 2QX0 PH2 5.03145
282 3OCP CMP 5.03597
283 2OO8 RAJ 5.04732
284 2RIO ADP 5.06912
285 3FUR Z12 5.14706
286 4NM5 ADP 5.21327
287 3ZRM ZRM 5.21327
288 3F7Z 34O 5.21327
289 3UDZ ADP 5.21327
290 1OBD ATP 5.21327
291 4YZN 4K5 5.21327
292 5BRP PNG 5.21327
293 2JLD AG1 5.21327
294 4UX9 ANP 5.21978
295 4RFM 3P6 5.26316
296 4UXL 5P8 5.2795
297 2J7T 274 5.29801
298 3FHR P4O 5.35714
299 3KRL KRL 5.37313
300 1BYG STU 5.39568
301 3FSY SCA 5.42169
302 5AX9 4KT 5.45024
303 4A01 2PN 5.45024
304 4FE2 ADP 5.4902
305 4Y9T PA1 5.49133
306 2AQX ATP 5.53633
307 2Z49 AMG 5.55556
308 2Z48 A2G 5.55556
309 2Z48 NGA 5.55556
310 4JR7 GNP 5.61497
311 1KJ8 GAR 5.6266
312 1KJ8 ATP 5.6266
313 6GU6 1QK 5.62914
314 5HQ0 LZ9 5.62914
315 5EOB 5QQ 5.64263
316 2CFM AMP 5.6872
317 3ALN ANP 5.6872
318 5OD2 GLC 5.6872
319 4NST ADP 5.69801
320 5W4W 9WG 5.74018
321 4KBA 1QM 5.74018
322 5EXK 5AD 5.74018
323 5EFQ ADP 5.76369
324 5X8I SQZ 5.78035
325 2BPM 529 5.82524
326 6G33 5ID 5.8997
327 1T36 ADP 5.92417
328 3QP8 HL0 5.97826
329 6C7Y ADP 5.98291
330 5H2U 1N1 5.99251
331 4AT3 LTI 6.02007
332 2VQD AP2 6.03448
333 1PHK ATP 6.04027
334 4XDA RIB 6.14887
335 3GQI ACP 6.16114
336 1PU7 39A 6.16114
337 1NJJ GET 6.16114
338 4CSV STI 6.18182
339 5UPK ANP 6.25
340 1VJY 460 6.27063
341 4BCM T7Z 6.31229
342 4BCQ TJF 6.31229
343 4BCN T9N 6.33333
344 4QM9 CYS 6.35838
345 2XMY CDK 6.37584
346 5LMK 6ZK 6.39731
347 6GIN IR2 6.3981
348 4LRJ ANP 6.50888
349 4Q5H ANP 6.57895
350 5G1X ADP 6.66667
351 5L8L ADP 6.66667
352 5ODT ADP 6.71378
353 5LXM ADP 6.71378
354 1DMY AZM 6.85484
355 3SRV S19 6.85921
356 6C0T EE4 6.91643
357 1VAY AZA 6.96864
358 6GWR FEW 6.98413
359 5C8W PCG 6.99301
360 5EW9 5VC 7.01107
361 6GQM F8H 7.0122
362 2A19 ANP 7.04225
363 5F90 LMR 7.05128
364 5F90 GLA GAL 7.05128
365 5F90 GLA GAL BGC 5VQ 7.05128
366 3ORK AGS 7.07396
367 3E5A VX6 7.08955
368 3FHI ANP 7.14286
369 5AIG VPR 7.2
370 3VHE 42Q 7.24234
371 3AQV TAK 7.24638
372 3GNI ATP 7.33138
373 3H9R TAK 7.33945
374 4ASE AV9 7.36544
375 4CRL C1I 7.36842
376 4OH4 ANP 7.50751
377 1CKM GTP 7.57576
378 2WQN ADP 7.58294
379 5IM3 DTP 7.58294
380 5COU ATP 7.64706
381 3GGF GVD 7.81991
382 5JZJ AN2 7.81991
383 5DMZ ADP 7.81991
384 4H3Q ANP 8.01105
385 2VPQ ANP 8.05687
386 2B4B B33 8.18713
387 4AG8 AXI 8.22785
388 1PS6 4TP 8.23171
389 2WEL K88 8.25688
390 2OFV 242 8.30325
391 3MVH WFE 8.47953
392 4Y8D 49J 8.53081
393 4XZ3 ACP 8.69565
394 4XYM A12 8.69565
395 3RI1 3RH 8.76777
396 5Y80 IRE 8.78378
397 4AUA 4AU 8.79479
398 3LXK MI1 8.8685
399 2VN9 GVD 8.9701
400 6AC9 ANP 9.45946
401 3DLS ADP 9.55224
402 1NYW DAU 9.64467
403 1IOW ADP 9.71564
404 1IOW PHY 9.71564
405 6CQF F97 9.76431
406 2B9H ADP 9.91501
407 2B9J ADP 9.91501
408 4QTB 38Z 10
409 1IYB 5GP 10.0962
410 3FC2 IBI 10.1896
411 5TA6 79D 10.1896
412 2B9F ADP 10.1983
413 2V58 LZJ 10.245
414 3VPB ADP 10.2837
415 3VPC ADP 10.2837
416 4F9C 0SX 10.4167
417 1ZY5 ANP 10.4265
418 4GLW 0XT 10.4918
419 4H3P ANP 10.4972
420 5BVE 4VG 10.5263
421 1EHI ADP 10.6101
422 3VPD ANP 10.6762
423 4UAL 3FV 10.7399
424 5OKT 9XK 10.828
425 5Y86 HRM 10.9005
426 6GUE FB8 11.194
427 4CFU 2WC 11.4504
428 4AU8 Z3R 11.4865
429 4USF 6UI 11.5132
430 1UNH IXM 11.6438
431 3O0G 3O0 11.6438
432 1V0O INR 11.8056
433 2WU6 DKI 11.811
434 5BV6 35G 11.8421
435 5MW8 ATP 11.8483
436 3GC0 AMP 11.8541
437 4QMN DB8 13.2258
438 4E93 GUI 13.2701
439 4A4X JUP 13.6201
440 1GU3 BGC BGC BGC BGC BGC 14.094
441 3RE4 TO1 14.3411
442 3VOT ADP 14.455
443 1ZTH ADP 14.7287
444 1ZP9 ATP 14.7287
445 2BKK ADP 14.7727
446 3PVW QRX 14.8649
447 3ORQ ADP 14.9289
448 4C2V YJA 15.0877
449 4C2W ANP 15.4122
450 5EYK 5U5 15.5797
451 5ZCT ANP 16.6667
452 1NU4 MLA 17.5258
453 5UKL SIX 17.7419
454 2B9I ADP 19.0476
455 4W9F 3JU 21.6495
456 4B9K TG0 21.6495
457 4W9H 3JF 21.6495
Pocket No.: 2; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 25
This union binding pocket(no: 2) in the query (biounit: 1pk8.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6C1S EFV 1.65877
2 5JKG 6LF 1.92926
3 4O4F IHP 2.8436
4 4O4F ATP 2.8436
5 4NFN 2KC 2.91262
6 3RFA SAM 2.9703
7 4NJH 2K8 3.04348
8 4NJH SAM 3.04348
9 3E3U NVC 4.02844
10 5JGA 6KC 4.44444
11 4Z3X MTE 4.46927
12 4LIK CIT 4.59184
13 1OUK 084 4.91803
14 5WKR NAR 4.9763
15 3WIR BGC 5.6872
16 4F4P 0SB 6.95971
17 4U0I 0LI 6.98413
18 1CKN GTP 7.57576
19 4G31 0WH 7.69231
20 3UG4 AHR 8.29384
21 3TPV ADE 10.1896
22 2FN8 RIP 10.231
23 3BZ3 YAM 11.2319
24 3TM0 B31 14.8289
25 4B1L FRU 16.9697
Pocket No.: 3; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 1pk8.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 6FYJ MYR 1.42518
2 3OI7 OI7 2.36967
3 5MUL BDP 2.8436
4 3PPQ CHT 2.89389
5 2YJP CYS 3.09278
6 5TVM PUT 3.15789
7 4JLS 3ZE 3.28947
8 5GOO FRU 3.31754
9 5KOD IAC 3.31754
10 1XMV ADP 3.37079
11 3ZH4 FLC 3.57995
12 3ZW0 FUC 4.02844
13 1MZV AMP 4.25532
14 3VSV XYS 5.21327
15 1IZO PAM 7.43405
16 1M1B SPV 7.58294
17 4FAI PBD 14.2424
18 1RGE 2GP 14.5833
19 4BKS X6C 21.6495
20 5NVX 4YY 21.6495
Pocket No.: 4; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1pk8.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4LIT AKG 4.1769
2 1C1L GAL BGC 4.37956
3 3LA3 2FT 4.52675
4 5LY2 OGA 4.72441
5 4ZU4 4TG 4.72973
6 3MN5 LAB 4.73538
7 2VK2 GZL 4.90196
8 3TL1 JRO 5.03145
9 2P5B OGA 5.11364
10 3HCH RSM 6.16438
11 3DGY 2GP 6.18557
12 1Q7L GLY 7.57576
13 4YEF 4CQ 12.3596
14 3TM0 ANP 14.8289
Pocket No.: 5; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 29
This union binding pocket(no: 5) in the query (biounit: 1pk8.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3T3Z 9PL 1.65877
2 1IUP ALQ 1.77305
3 5TSU CYS 1.89573
4 3QTP 2PG 2.8436
5 2I56 RNS 2.8436
6 6CEP OXM 2.99401
7 5TVF PUT 3.15789
8 5LXB 7A9 3.71901
9 5XOY LYS 3.75335
10 2NVK NAP 3.79147
11 3N8K D1X 4.06977
12 1LDN OXM 4.11392
13 4NTM 2K8 4.13223
14 1IHU ADP 4.24448
15 1M7G AV2 4.2654
16 1MID LAP 4.3956
17 5I8G 69E 4.92424
18 1C5C TK4 5.14019
19 5HZ9 5M8 5.18518
20 4QM7 GTP 5.26316
21 3AB4 THR 5.61798
22 3AI3 SOL 6.08365
23 2GBB CIT 6.41026
24 3PNA CMP 7.14286
25 5CJF 520 8.24373
26 3UKR CKH 8.42697
27 6F5W KG1 8.67209
28 3NRZ FAD 9.47867
29 2WW2 SWA 11.1374
Pocket No.: 6; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 8
This union binding pocket(no: 6) in the query (biounit: 1pk8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5J32 IPM 1.65877
2 1BG2 ADP 2.46154
3 1SGJ OAA 2.46479
4 6C0B MLI 3.84615
5 4UCF GLA 4.2654
6 5BV3 M7G 4.63768
7 4CQB MLI 5.21327
8 4TTQ ATP 12.5581
Pocket No.: 7; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 14
This union binding pocket(no: 7) in the query (biounit: 1pk8.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1XK5 TPG 2.8436
2 2KIN ADP 3.78151
3 4XCB AKG 3.79147
4 1JH7 UVC 4.2328
5 1U6R IOM 4.47368
6 4OFG PCG 4.86111
7 1LDM OXM 4.86322
8 3OBT SLB 5.21327
9 4DDY DN6 5.70342
10 1JNQ EGT 6.63507
11 9LDT OXM 6.92771
12 2ET1 GLV 7.9602
13 1T3D CYS 8.65052
14 2VPN 4CS 9.24171
Pocket No.: 8; Query (leader) PDB : 1PK8; Ligand: ATP; Similar sites found with APoc: 4
This union binding pocket(no: 8) in the query (biounit: 1pk8.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZYN SIN 2.8436
2 2OS2 OGA 4.72441
3 2Q8E OGA 5.11364
4 5JIL 6KL 5.15464
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