Receptor
PDB id Resolution Class Description Source Keywords
3LL5 1.99 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF T. ACIDOPHILUM ISOPENTENYL PHOSPHATE KI PRODUCT COMPLEX THERMOPLASMA ACIDOPHILUM ALTERNATE MEVALONATE PATHWAY ISOPENTENYL PHSOPHATE KINASE BETA-ALPHA SANDWICH FOLD PRODUCT COMPLEX KINASE TRANSFER
Ref.: X-RAY STRUCTURES OF ISOPENTENYL PHOSPHATE KINASE. ACS CHEM.BIOL. V. 5 517 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:246;
B:246;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ATP C:246;
D:246;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
IP8 C:247;
D:247;
Valid;
Valid;
none;
none;
submit data
166.112 C5 H11 O4 P CC(=C...
IPE A:247;
B:247;
Valid;
Valid;
none;
none;
submit data
246.092 C5 H12 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LL5 1.99 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF T. ACIDOPHILUM ISOPENTENYL PHOSPHATE KI PRODUCT COMPLEX THERMOPLASMA ACIDOPHILUM ALTERNATE MEVALONATE PATHWAY ISOPENTENYL PHSOPHATE KINASE BETA-ALPHA SANDWICH FOLD PRODUCT COMPLEX KINASE TRANSFER
Ref.: X-RAY STRUCTURES OF ISOPENTENYL PHOSPHATE KINASE. ACS CHEM.BIOL. V. 5 517 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3LKK - IP8 C5 H11 O4 P CC(=C)CCOP....
2 3LL5 - 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 211 families.
1 3LKK - IP8 C5 H11 O4 P CC(=C)CCOP....
2 3LL5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3LKK - IP8 C5 H11 O4 P CC(=C)CCOP....
2 3LL5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 2; 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
Ligand no: 3; Ligand: IP8; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 IP8 1 1
2 IPE 0.617647 0.918919
3 1SH 0.454545 0.644444
4 ISY 0.435897 0.775
Ligand no: 4; Ligand: IPE; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 IPE 1 1
2 IP8 0.617647 0.918919
3 0O3 0.589744 0.871795
4 0CJ 0.536585 0.780488
5 P23 0.527778 0.815789
6 ISY 0.487805 0.85
7 DED 0.487179 0.653061
8 IPR 0.475 0.820513
9 P25 0.463415 0.825
10 P22 0.444444 0.710526
11 0CH 0.439024 0.731707
12 43W 0.439024 0.789474
13 EIP 0.431818 0.846154
14 DMA 0.428571 0.794872
15 0JX 0.428571 0.810811
16 0K2 0.418605 0.74359
17 BHI 0.413043 0.767442
18 DP6 0.408163 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LL5; Ligand: ADP; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 3ll5.bio2) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QAR ADE 0.02982 0.40054 0.995025
2 1BGV GLU 0.01311 0.43628 1.60643
3 3E3U NVC 0.01461 0.41583 2.03046
4 4BG4 ARG 0.02396 0.42255 2.81124
5 1NT4 G1P 0.02616 0.41988 2.81124
6 2ZTG A5A 0.002221 0.44746 3.61446
7 4F4S EFO 0.03546 0.41111 3.94737
8 2J0W ADP 0.0000002676 0.4589 4.01606
9 3X01 AMP 0.03424 0.41375 4.01606
10 4GQY AMP 0.03732 0.40235 4.24242
11 1L7P SEP 0.01921 0.42131 4.2654
12 4AU8 Z3R 0.03904 0.40133 4.41767
13 3HXU A5A 0.01194 0.40112 4.81928
14 1I1Q TRP 0.03377 0.40831 5.22088
15 2G30 ALA ALA PHE 0.04063 0.40567 5.62249
16 2CJU PHX 0.03103 0.41374 6.19469
17 4I9B NAD 0.01318 0.40494 6.82731
18 1E19 ADP 0.00003331 0.53284 8.83534
19 2J4K U5P 0.000000298 0.52872 9.29204
20 1GS5 NLG 0.0000005564 0.52804 9.63855
21 1GS5 ANP 0.003715 0.42215 9.63855
22 1I7M CG 0.03362 0.40841 11.9403
23 3C1M ANP 0.0000001217 0.49214 12.0482
24 2AKO ADP 0.00001515 0.40822 18.4739
25 2J5V RGP 0.02508 0.41744 21.2851
26 3QUR FM4 0.00000004474 0.55798 28.9157
27 3QUR ADP 0.002349 0.42749 28.9157
28 1FQJ ALF 0.01238 0.43843 35.7143
Pocket No.: 2; Query (leader) PDB : 3LL5; Ligand: IP8; Similar sites found: 120
This union binding pocket(no: 2) in the query (biounit: 3ll5.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WSB NAD 0.02998 0.41915 0.803213
2 2H7C COA 0.0339 0.43004 1.60643
3 2V2V V12 0.03032 0.4232 1.60643
4 2VVL FAD 0.04678 0.4149 1.60643
5 5M67 ADE 0.03719 0.42391 2.00803
6 5U3B 7TD 0.02055 0.42151 2.00803
7 3BW2 FMN 0.04912 0.41995 2.00803
8 5HQ8 SAH 0.01727 0.40595 2.00803
9 3GLC R5P 0.02072 0.40094 2.00803
10 1YC5 NCA 0.03317 0.40474 2.03252
11 5EZ7 FAD 0.006258 0.46065 2.40964
12 4C3Y FAD 0.01194 0.44466 2.40964
13 4D42 W0I 0.01652 0.4397 2.40964
14 4D42 NAP 0.01652 0.4397 2.40964
15 5AE2 FYC 0.03092 0.43053 2.40964
16 5AE2 FAD 0.03092 0.43053 2.40964
17 4CBX ATP 0.007307 0.42781 2.40964
18 1YP4 ADQ 0.01849 0.42088 2.40964
19 4Q4K FMN 0.01703 0.41944 2.40964
20 5XDT MB3 0.02284 0.41877 2.40964
21 1YAG ATP 0.01195 0.41801 2.40964
22 1QPB PYM 0.02369 0.4115 2.40964
23 1QPB TPP 0.02369 0.4115 2.40964
24 1T44 ATP 0.01414 0.41102 2.40964
25 1QZR ANP 0.03396 0.40196 2.40964
26 4MAF ADX 0.02242 0.40113 2.40964
27 2Q1W NAD 0.04667 0.40085 2.40964
28 3MN5 ATP 0.004618 0.43859 2.81124
29 2V52 ATP 0.004834 0.43708 2.81124
30 2Z6J FMN 0.01227 0.42804 2.81124
31 4B1W ATP 0.009023 0.42306 2.81124
32 2FXU ATP 0.04162 0.42239 2.81124
33 2GZ3 NAP 0.02869 0.42039 2.81124
34 2V51 ATP 0.009525 0.42013 2.81124
35 3WGT QSC 0.04027 0.41953 2.81124
36 3WGT FAD 0.03914 0.41953 2.81124
37 2Q97 ATP 0.01141 0.41857 2.81124
38 3EYA TDP 0.02098 0.413 2.81124
39 5FI3 NAP 0.02801 0.41259 2.81124
40 3RO7 TDR 0.04376 0.40152 2.81124
41 4FWE FAD 0.0263 0.42648 3.21285
42 1KNR FAD 0.03572 0.41625 3.21285
43 5MF6 AR6 0.03327 0.40724 3.21285
44 5MF6 7M2 0.03327 0.40724 3.21285
45 4CNE SAH 0.02125 0.40536 3.21285
46 3OIX FMN 0.02381 0.40525 3.21285
47 3ZLB ANP 0.02852 0.40442 3.21285
48 5ESO ISC 0.04995 0.40249 3.21285
49 5ESO TDP 0.04995 0.40249 3.21285
50 1ZPR UMP 0.01805 0.40129 3.21285
51 5IOK ACE GLN THR ALA ARG KCR SER THR 0.02409 0.41405 3.52113
52 4AUT FAD 0.01776 0.42677 3.61446
53 3LZW FAD 0.03822 0.4172 3.61446
54 3Q9T FAY 0.04703 0.40648 3.61446
55 2GAG FAD 0.006662 0.46479 4.01606
56 2WPF FAD 0.03462 0.43617 4.01606
57 2WPF WPF 0.03515 0.43617 4.01606
58 2R4J 13P 0.03409 0.42765 4.01606
59 2Q89 6CS 0.0138 0.40667 4.01606
60 4PKG ATP 0.007549 0.42613 4.30108
61 5LAU AR6 0.03323 0.40263 4.32692
62 2NYR SVR 0.02185 0.44906 4.41767
63 2GQT FAD 0.01397 0.44527 4.41767
64 2JG1 ANP 0.004871 0.44418 4.41767
65 4NTD FAD 0.02018 0.42739 4.41767
66 4Z94 ATP 0.006353 0.42641 4.41767
67 1RSG FAD 0.02951 0.42089 4.41767
68 2I0K FAD 0.02558 0.4151 4.41767
69 3KLJ FAD 0.04172 0.40256 4.41767
70 4JNA FAD 0.02967 0.42512 4.81928
71 4R0M FA5 0.01289 0.4248 4.81928
72 2Q1S NAI 0.0447 0.41376 4.81928
73 1D1T NAD 0.02943 0.41323 4.81928
74 4GUT FAD 0.0288 0.42676 4.83871
75 4GUS FAD 0.02835 0.42542 4.83871
76 4HSU FAD 0.03023 0.42382 4.83871
77 3EWP APR 0.03165 0.40385 5.08475
78 1UXG NAD 0.03173 0.41687 5.22088
79 2NVA PL2 0.01799 0.41371 5.22088
80 2PT9 2MH 0.04334 0.40807 5.22088
81 3QVP FAD 0.01274 0.44566 5.62249
82 4P8K 38C 0.02122 0.4318 5.62249
83 5MPT SAH 0.02333 0.40119 5.62249
84 1KPH SAH 0.02875 0.40044 5.62249
85 3UCJ AZM 0.01224 0.40569 5.72687
86 4R74 F6P 0.02724 0.40044 5.919
87 5DY5 5GR 0.03276 0.43105 6.0241
88 2Q4W FAD 0.01398 0.43069 6.0241
89 2A42 ATP 0.006551 0.42884 6.0241
90 2A40 ATP 0.007072 0.42639 6.0241
91 2A3Z ATP 0.007647 0.42478 6.0241
92 3D3W NAP 0.03987 0.40773 6.14754
93 4B1Y ATP 0.005851 0.43372 6.25
94 5MBX FAD 0.02123 0.44127 6.4257
95 5MBX SP5 0.02123 0.44127 6.4257
96 1ORR NAD 0.03655 0.41125 6.4257
97 4PKI ATP 0.007646 0.42641 7.22892
98 4JEJ 1GP 0.03804 0.40821 7.37705
99 2BNF UTP 0.002328 0.46341 7.46888
100 2Y4N DLL 0.03045 0.41239 7.63052
101 1RHC F42 ACN 0.01704 0.42603 8.03213
102 4ZCC NAI 0.02246 0.43747 9.23695
103 4ZCC FAD 0.02246 0.43747 9.23695
104 4EHU ANP 0.02597 0.40705 9.23695
105 2XTZ GSP 0.03324 0.4023 9.23695
106 5BUK FAD 0.03946 0.42264 10.0402
107 2VHW NAI 0.04328 0.4058 10.0402
108 2YVJ NAI 0.0193 0.40559 10.0917
109 3MN9 ATP 0.006797 0.43013 10.8434
110 1DL5 SAH 0.03597 0.40244 12.4498
111 2IHT TPP 0.03002 0.40751 12.8514
112 1UPA TPP 0.0356 0.40293 12.8514
113 4XGU ADP 0.01418 0.4133 14.4578
114 4M0F 1YK 0.01823 0.42596 16.4659
115 2FF3 ATP 0.007865 0.42618 16.6667
116 2FF6 ATP 0.01191 0.41478 16.6667
117 5ODQ 9SB 0.03202 0.40007 19.6787
118 2J9D ADP 0.02604 0.40169 21.0084
119 3QUR FM4 0.004592 0.45729 28.9157
120 4A62 ANP 0.0199 0.41248 29.4118
Pocket No.: 3; Query (leader) PDB : 3LL5; Ligand: ATP; Similar sites found: 20
This union binding pocket(no: 3) in the query (biounit: 3ll5.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QAR ADE 0.01235 0.40147 0.995025
2 4BG4 ARG 0.01261 0.41973 2.81124
3 3E8N VRA 0.01506 0.41017 3.61446
4 3E8N ATP 0.01506 0.41017 3.61446
5 3FC4 EDO 0.0288 0.40468 3.61446
6 3ZQ6 ADP ALF 0.01008 0.40002 3.61446
7 4RL4 PPV 0.01834 0.40471 3.77358
8 2J0W ADP 0.0000004321 0.55935 4.01606
9 4GQY AMP 0.01628 0.40338 4.24242
10 4AU8 Z3R 0.01616 0.40353 4.41767
11 2BNF UTP 0.003493 0.41852 7.46888
12 4QTB 38Z 0.008132 0.40694 7.63052
13 1E19 ADP 0.0002952 0.4662 8.83534
14 2J4K U5P 0.000002756 0.43494 9.29204
15 1GS5 NLG 0.00001013 0.54342 9.63855
16 1GS5 ANP 0.03404 0.41018 9.63855
17 3C1M ANP 0.0000003723 0.58239 12.0482
18 2AKO ADP 0.000009278 0.4983 18.4739
19 3QUR FM4 0.000003071 0.56304 28.9157
20 3QUR ADP 0.01145 0.43116 28.9157
Pocket No.: 4; Query (leader) PDB : 3LL5; Ligand: IPE; Similar sites found: 21
This union binding pocket(no: 4) in the query (biounit: 3ll5.bio2) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BG4 ARG 0.02195 0.42255 2.81124
2 1NT4 G1P 0.02715 0.41693 2.81124
3 2ZTG A5A 0.00196 0.44746 3.61446
4 4F4S EFO 0.03241 0.41111 3.94737
5 2J0W ADP 0.0000002607 0.47072 4.01606
6 4GQY AMP 0.03397 0.40235 4.24242
7 1L7P SEP 0.02196 0.41604 4.2654
8 1I1Q TRP 0.03 0.4089 5.22088
9 2CJU PHX 0.02854 0.41374 6.19469
10 4I9B NAD 0.01313 0.40274 6.82731
11 2BNF UTP 0.0008672 0.40025 7.46888
12 1E19 ADP 0.00003521 0.52858 8.83534
13 2J4K U5P 0.000000174 0.52817 9.29204
14 1GS5 NLG 0.000001364 0.52467 9.63855
15 1GS5 ANP 0.006041 0.41796 9.63855
16 3C1M ANP 0.0000001149 0.50559 12.0482
17 2AKO ADP 0.000008178 0.4328 18.4739
18 2J5V RGP 0.02298 0.41744 21.2851
19 3QUR FM4 0.00000008489 0.56252 28.9157
20 3QUR ADP 0.003327 0.42604 28.9157
21 1FQJ ALF 0.01383 0.43369 35.7143
Pocket No.: 5; Query (leader) PDB : 3LL5; Ligand: IP8; Similar sites found: 77
This union binding pocket(no: 5) in the query (biounit: 3ll5.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UWZ THU 0.0167 0.40827 None
2 4UCI SAM 0.006311 0.43543 1.60643
3 3CTY FAD 0.03929 0.41772 1.60643
4 4D81 ADP 0.02067 0.40275 1.60643
5 3RKR NAP 0.01196 0.40895 1.9084
6 1R6D DAU 0.04495 0.42083 2.00803
7 4BUZ NAD 0.03905 0.40316 2.03252
8 4BUZ OCZ 0.04515 0.40316 2.03252
9 4BUZ OAD 0.04515 0.40316 2.03252
10 3CIP ATP 0.01808 0.4343 2.40964
11 2RAB FAD 0.0399 0.41757 2.40964
12 5TTJ FAD 0.04142 0.41304 2.40964
13 1ZAP A70 0.03015 0.4105 2.40964
14 1YP4 ADP 0.01767 0.40855 2.40964
15 3LXD FAD 0.04854 0.40569 2.40964
16 5KVS 6XR 0.04927 0.40481 2.40964
17 2VAR ANP 0.02684 0.40413 2.40964
18 3RFV NAI 0.04008 0.40226 2.40964
19 1G51 AMO 0.04027 0.40073 2.40964
20 1T3Q MCN 0.02217 0.42485 2.81124
21 2XAU ADP 0.0174 0.40403 2.81124
22 5AA4 6X4 0.04822 0.40272 2.81124
23 5MSO NAP 0.03804 0.40269 2.81124
24 3U7S 017 0.02858 0.40637 3.0303
25 4G87 UD1 0.01561 0.42833 3.21285
26 3B1Q NOS 0.01248 0.4165 3.21285
27 1OFD AKG 0.0129 0.43564 3.61446
28 1OFD FMN 0.01413 0.43564 3.61446
29 2BJ4 OHT 0.0181 0.40993 3.61446
30 2QE4 JJ3 0.03448 0.42511 3.62903
31 2GAG FOA 0.02054 0.4364 4.01606
32 1WVC CTP 0.01825 0.41765 4.01606
33 1D4D FAD 0.04421 0.41532 4.01606
34 3ICT FAD 0.04606 0.40904 4.01606
35 3ICR FAD 0.04942 0.40697 4.01606
36 2IW1 U2F 0.0323 0.40609 4.01606
37 2WQQ CSF 0.02479 0.40508 4.01606
38 3K8D CTP 0.0212 0.40224 4.01606
39 3GGU 017 0.02805 0.41098 4.0404
40 4IQY AR6 0.03155 0.40198 4.16667
41 1VDC FAD 0.04514 0.41658 4.2042
42 1G0N NDP 0.04114 0.41251 4.41767
43 1YQS BSA 0.0435 0.4055 4.41767
44 2J1P GRG 0.02616 0.40523 4.41767
45 1E6E FAD 0.02113 0.42631 4.6875
46 4DHY GLC 0.04357 0.40192 5.22088
47 4R1S NAP 0.0183 0.42046 5.62249
48 2V1O COA 0.03091 0.40583 5.96026
49 2HVW DDN 0.01854 0.40326 5.97826
50 3HRD MCN 0.01188 0.43931 6.0241
51 2F5Z FAD 0.02727 0.4261 6.0241
52 4B9Q ATP 0.009333 0.42732 6.4257
53 1Q9I TEO 0.04398 0.42462 6.4257
54 1F0X FAD 0.02366 0.42451 6.4257
55 1V8B NAD 0.03043 0.41836 6.4257
56 1N4W FAD 0.01435 0.44171 7.22892
57 4Z24 FAD 0.03037 0.42245 7.22892
58 1HV9 UD1 0.01199 0.42156 7.22892
59 1QX4 FAD 0.04258 0.40817 7.22892
60 1FWY UD1 0.02884 0.40179 7.22892
61 2Z3Y F2N 0.04781 0.41345 7.63052
62 3FHI ANP 0.03613 0.40245 7.79221
63 2IXE ATP 0.02567 0.40568 8.03213
64 5G5G MCN 0.02736 0.42042 8.43373
65 1GPE FAD 0.04494 0.41641 8.43373
66 1O94 ADP 0.01711 0.41746 8.83534
67 1DJN ADP 0.01802 0.41474 8.83534
68 2RGH FAD 0.04043 0.41473 8.83534
69 1QO8 FAD 0.04405 0.41548 9.23695
70 1GS5 NLG 0.02256 0.42153 9.63855
71 3G6K FAD 0.03187 0.4131 10.0402
72 3G6K POP 0.02899 0.4131 10.0402
73 2DTX BMA 0.03953 0.41526 10.8434
74 5F7N NAG GAL FUC FUC A2G 0.03219 0.40366 10.8434
75 5ECP JAA 0.0461 0.40954 15.6627
76 5ECP MET 0.0461 0.40954 15.6627
77 2UUU PL3 0.0308 0.43068 16.8675
Pocket No.: 6; Query (leader) PDB : 3LL5; Ligand: ATP; Similar sites found: 9
This union binding pocket(no: 6) in the query (biounit: 3ll5.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NT4 G1P 0.01211 0.42449 2.81124
2 3C3N FMN 0.01222 0.40177 2.81124
3 3OBT SLB 0.008677 0.43835 3.21285
4 2ZL4 ALA ALA ALA ALA 0.02572 0.40482 3.57143
5 2WE5 ADP 0.001287 0.40206 4.41767
6 2QLU ADE 0.007881 0.42329 6.0241
7 5BVE 4VG 0.02795 0.40283 8.03213
8 3GD4 NAD 0.02186 0.41599 8.43373
9 1FQJ ALF 0.03258 0.40135 35.7143
Pocket No.: 7; Query (leader) PDB : 3LL5; Ligand: IPE; Similar sites found: 11
This union binding pocket(no: 7) in the query (biounit: 3ll5.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2G50 PYR 0.04656 0.40053 2.81124
2 5WSY 7UC 0.0446 0.40186 3.46821
3 4RL4 PPV 0.02451 0.40484 3.77358
4 2R0D 4IP 0.03508 0.40743 4.01606
5 1DJ9 KAM 0.02197 0.4038 4.01606
6 3HXU A5A 0.0115 0.40182 4.81928
7 2G30 ALA ALA PHE 0.0341 0.42004 5.62249
8 2B6N ALA PRO THR 0.02297 0.42127 6.82731
9 1FS5 TLA 0.02484 0.40123 7.22892
10 4NAE 1GP 0.03725 0.40606 7.55556
11 2F6U CIT 0.02921 0.4157 9.40171
Pocket No.: 8; Query (leader) PDB : 3LL5; Ligand: ADP; Similar sites found: 5
This union binding pocket(no: 8) in the query (biounit: 3ll5.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2G50 PYR 0.04656 0.40053 2.81124
2 5WSY 7UC 0.0446 0.40186 3.46821
3 4RL4 PPV 0.02451 0.40484 3.77358
4 2R0D 4IP 0.03508 0.40743 4.01606
5 2B6N ALA PRO THR 0.02297 0.42127 6.82731
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