Receptor
PDB id Resolution Class Description Source Keywords
2QQ0 1.5 Å EC: 2.7.1.21 THYMIDINE KINASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH THYMIDINE + APPNHP THERMOTOGA MARITIMA THYMIDINE KINASE TMTK APPNHP OPEN-CONFORMATION ATP- BINDING CYTOPLASM DNA SYNTHESIS NUCLEOTIDE-BINDING TRANSFERASE
Ref.: QUATERNARY STRUCTURE CHANGE AS A MECHANISM FOR THE REGULATION OF THYMIDINE KINASE 1-LIKE ENZYMES. STRUCTURE V. 15 1555 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP B:701;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ANP A:601;
Valid;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:450;
B:452;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
THM A:501;
Valid;
none;
submit data
242.229 C10 H14 N2 O5 CC1=C...
TMP B:601;
Valid;
none;
submit data
322.208 C10 H15 N2 O8 P CC1=C...
ZN A:400;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QQ0 1.5 Å EC: 2.7.1.21 THYMIDINE KINASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH THYMIDINE + APPNHP THERMOTOGA MARITIMA THYMIDINE KINASE TMTK APPNHP OPEN-CONFORMATION ATP- BINDING CYTOPLASM DNA SYNTHESIS NUCLEOTIDE-BINDING TRANSFERASE
Ref.: QUATERNARY STRUCTURE CHANGE AS A MECHANISM FOR THE REGULATION OF THYMIDINE KINASE 1-LIKE ENZYMES. STRUCTURE V. 15 1555 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
2 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2QQE - THM C10 H14 N2 O5 CC1=CN(C(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
2 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2QQE - THM C10 H14 N2 O5 CC1=CN(C(=....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1XBT - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
2 1W4R - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
3 2WVJ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
4 4UXH ic50 = 1.1 uM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
5 2ORV Kd = 29 nM 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
6 1XX6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 5FUV - THM C10 H14 N2 O5 CC1=CN(C(=....
8 5FUW - QBT C10 H17 N2 O8 P C[C@H]1CN(....
9 5FUX - QBT C10 H17 N2 O8 P C[C@H]1CN(....
10 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
11 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 2QQE - THM C10 H14 N2 O5 CC1=CN(C(=....
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: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Ligand no: 3; Ligand: THM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 THM 1 1
2 LLT 1 1
3 0DN 0.777778 0.923077
4 TXS 0.704918 0.869565
5 TMP 0.693548 0.859155
6 T3S 0.68254 0.869565
7 TYD 0.641791 0.873239
8 ID2 0.637931 0.910448
9 T3P 0.629032 0.84507
10 TBD 0.623188 0.837838
11 AZZ 0.609375 0.857143
12 TTP 0.605634 0.873239
13 BVD 0.587302 0.953846
14 BTD 0.550725 0.873239
15 3DT 0.540984 0.953846
16 FDM 0.536232 0.8
17 NYM 0.536232 0.835616
18 THP 0.528571 0.84507
19 WMJ 0.525 0.78481
20 DAU 0.52381 0.863014
21 TLO 0.518519 0.849315
22 ATM 0.513514 0.779221
23 DUR 0.508197 0.952381
24 0TT 0.506494 0.926471
25 DT DT DT 0.5 0.833333
26 3YN 0.5 0.837838
27 3R2 0.494118 0.826667
28 TDX 0.494118 0.849315
29 18T 0.494118 0.837838
30 1JB 0.494118 0.837838
31 TRH 0.494118 0.837838
32 MCY 0.492308 0.925373
33 74W 0.488636 0.775
34 74X 0.488636 0.775
35 DT DT DT DT DT 0.488372 0.824324
36 ATY 0.487179 0.824324
37 T3F 0.482759 0.815789
38 T3Q 0.482759 0.815789
39 DWN 0.482759 0.815789
40 5HU 0.478873 0.873239
41 T46 0.477273 0.837838
42 0N2 0.477273 0.805195
43 AZD 0.475 0.792208
44 DT DT PST 0.47191 0.813333
45 MMF 0.47191 0.815789
46 0FX 0.47191 0.815789
47 UFP 0.464789 0.786667
48 2DT 0.463768 0.833333
49 QDM 0.461538 0.805195
50 BRU 0.458333 0.786667
51 AKM 0.456522 0.775
52 FNF 0.456522 0.826667
53 1YF 0.456522 0.826667
54 JHZ 0.456522 0.794872
55 5IU 0.452055 0.786667
56 4TG 0.451613 0.826667
57 BVP 0.435897 0.821918
58 T5A 0.431373 0.756098
59 TMC 0.426471 0.882353
60 ABT 0.425287 0.772152
61 DCZ 0.424242 0.880597
62 LDC 0.424242 0.880597
63 QUH 0.42 0.815789
64 FUH 0.42 0.815789
65 4TA 0.419048 0.743902
66 D3T 0.417722 0.847222
67 DT ME6 DT 0.415842 0.802632
68 5MD 0.411765 0.953125
69 ADS THS THS THS 0.411215 0.746988
70 DPB 0.407407 0.783784
71 TPE 0.406593 0.802632
72 B86 0.405797 0.84507
73 5BT 0.405797 0.84507
Ligand no: 4; Ligand: TMP; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 TMP 1 1
2 TYD 0.80597 0.985714
3 TTP 0.760563 0.985714
4 UFP 0.716418 0.917808
5 TBD 0.708333 0.945205
6 5HU 0.705882 0.957747
7 BRU 0.705882 0.917808
8 5IU 0.695652 0.917808
9 THM 0.693548 0.859155
10 LLT 0.693548 0.859155
11 NYM 0.671429 0.971831
12 FDM 0.671429 0.931507
13 THP 0.661972 0.985507
14 TLO 0.654321 0.931507
15 0DN 0.646154 0.84507
16 ATM 0.64 0.906667
17 BVP 0.64 0.957747
18 DAU 0.635294 0.918919
19 18T 0.623529 0.918919
20 1JB 0.623529 0.918919
21 TRH 0.623529 0.918919
22 3R2 0.623529 0.906667
23 TDX 0.623529 0.931507
24 DWN 0.609195 0.894737
25 T3Q 0.609195 0.894737
26 3YN 0.609195 0.918919
27 T3F 0.609195 0.894737
28 T46 0.602273 0.918919
29 0N2 0.602273 0.883117
30 T3P 0.6 0.957143
31 DT DT DT DT DT 0.597701 0.958333
32 MMF 0.595506 0.894737
33 0FX 0.595506 0.894737
34 AKM 0.593407 0.873418
35 UMP 0.583333 0.956522
36 DU 0.583333 0.956522
37 QDM 0.582418 0.883117
38 DT DT PST 0.577778 0.893333
39 FNF 0.576087 0.906667
40 JHZ 0.576087 0.871795
41 1YF 0.576087 0.906667
42 TXS 0.575342 0.8
43 4TG 0.569892 0.906667
44 T3S 0.56 0.8
45 2DT 0.555556 0.971429
46 ATY 0.548781 0.931507
47 DDN 0.547945 0.956522
48 AZD 0.535714 0.894737
49 FUH 0.53 0.894737
50 QUH 0.53 0.894737
51 T5A 0.524272 0.829268
52 DT DT DT 0.52381 0.890411
53 DT ME6 DT 0.509804 0.881579
54 DCM 0.506494 0.890411
55 DC 0.506494 0.890411
56 AZZ 0.5 0.789474
57 4TA 0.495327 0.817073
58 ABT 0.483516 0.871795
59 QBT 0.480519 0.915493
60 WMJ 0.477778 0.75
61 7SG 0.474138 0.851852
62 TQP 0.474138 0.851852
63 T4K 0.470085 0.841463
64 T5K 0.470085 0.841463
65 DUD 0.469136 0.942857
66 UMC 0.467532 0.901408
67 D3T 0.464286 0.957747
68 TPE 0.463158 0.881579
69 D4M 0.461538 0.927536
70 ID2 0.452055 0.786667
71 UC5 0.451219 0.929577
72 DUT 0.447059 0.942857
73 DUP 0.44186 0.916667
74 DUN 0.440476 0.916667
75 ADS THS THS THS 0.433628 0.776471
76 DT MA7 DT 0.42623 0.807229
77 8OG 0.425287 0.82716
78 BVD 0.423077 0.821918
79 74X 0.42 0.72093
80 74W 0.42 0.72093
81 5FU 0.4125 0.84
82 D4D 0.411765 0.914286
83 PAX 0.408333 0.839506
84 YYY 0.406977 0.878378
85 DA DT DA DA 0.404959 0.82716
86 BTD 0.404762 0.759494
87 DPB 0.404494 0.890411
88 DUT MG 0.404494 0.876712
89 5BU 0.402439 0.84
90 3DT 0.4 0.821918
91 DUS 0.4 0.820513
92 UMP AF3 PO4 0.4 0.842105
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QQ0; Ligand: TMP; Similar sites found: 238
This union binding pocket(no: 1) in the query (biounit: 2qq0.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PR5 FMN 0.00007991 0.46569 None
2 2IYG FMN 0.0006388 0.45245 None
3 2E1A MSE 0.001367 0.44979 None
4 1TUV VK3 0.01039 0.44672 None
5 4F4S EFO 0.003879 0.43576 None
6 1YRX FMN 0.001405 0.43394 None
7 1LNX URI 0.004777 0.43179 None
8 3KPE TM3 0.01627 0.41818 None
9 2WKQ GTP 0.004321 0.41659 None
10 1SJW NGV 0.00339 0.41489 None
11 2NLR BGC BGC G2F SHG 0.02237 0.40339 1.08696
12 4IAE 1DX 0.00241 0.40017 1.63043
13 2Q37 3AL 0.01902 0.41001 1.65746
14 4LPS GDP 0.0007951 0.47873 2.17391
15 2FNA ADP 0.002387 0.43102 2.17391
16 4KCF AKM 0.001851 0.40157 2.17391
17 4BQS ADP 0.0002672 0.50809 2.27273
18 1Z08 GNP 0.002853 0.42431 2.35294
19 4QOS ADP 0.0002493 0.49799 2.71739
20 2Z9V PXM 0.00254 0.44382 2.71739
21 4M9Q GNP 0.001534 0.43939 2.71739
22 4IXW IXW 0.00268 0.43737 2.71739
23 3OBT SLB 0.004786 0.43639 2.71739
24 2OM2 GDP 0.002232 0.43586 2.71739
25 2HF9 GSP 0.00373 0.43317 2.71739
26 1G4U GDP 0.005808 0.42073 2.71739
27 1GP2 GDP 0.003956 0.41823 2.71739
28 1FQJ GDP 0.004427 0.41614 2.71739
29 1FQK GDP 0.004944 0.41408 2.71739
30 2J07 FAD 0.001062 0.40798 2.71739
31 2J07 HDF 0.001062 0.40798 2.71739
32 1FQK ALF 0.04168 0.40669 2.71739
33 3A1I UNU 0.01133 0.40642 2.71739
34 1V35 NAI 0.0007164 0.40609 2.71739
35 1C0I FAD 0.001036 0.40548 2.71739
36 1C0I BE2 0.001036 0.40548 2.71739
37 3OCZ SRA 0.006309 0.40098 2.71739
38 1HE1 GDP 0.006007 0.41672 2.84091
39 1HE1 AF3 0.03893 0.40568 2.84091
40 1C1L GAL BGC 0.002392 0.46418 2.91971
41 1MXI SAH 0.001844 0.41672 3.125
42 4NON GDP 0.0001305 0.52385 3.26087
43 1SQ5 ADP 0.0003292 0.49766 3.26087
44 1V6A TRE 0.0006725 0.47579 3.26087
45 1Y42 TYR 0.001517 0.45363 3.26087
46 1H82 GZZ 0.0002212 0.43763 3.26087
47 1H82 FAD 0.0001832 0.43763 3.26087
48 2PP3 LGT 0.001243 0.436 3.26087
49 4H1V GNP 0.003645 0.43364 3.26087
50 1M7B GTP 0.002563 0.43318 3.26087
51 2BCG GDP 0.003571 0.43033 3.26087
52 3H86 AP5 0.0005334 0.42024 3.26087
53 1M5B BN1 0.001141 0.41301 3.26087
54 1P1M MET 0.001183 0.41222 3.26087
55 3FIU POP 0.03201 0.41128 3.26087
56 1R6D NAD 0.001803 0.40444 3.26087
57 1R6D DAU 0.001897 0.40294 3.26087
58 1SQ5 PAU 0.02229 0.40235 3.26087
59 3FC4 EDO 0.002273 0.40135 3.26087
60 4F8L GAL 0.002768 0.49657 3.44828
61 4V0K GDP 0.002036 0.42727 3.5503
62 1G7S GDP 0.0004911 0.48907 3.80435
63 3MAG 3MA 0.006723 0.465 3.80435
64 1RZM E4P 0.002462 0.46357 3.80435
65 4P4T GDP 0.001129 0.45302 3.80435
66 1G3Q ADP 0.00407 0.44364 3.80435
67 1V7R CIT 0.01663 0.44341 3.80435
68 2QV7 ADP 0.0006885 0.44112 3.80435
69 1FW1 GSH 0.002255 0.42593 3.80435
70 1RZM PEP 0.01018 0.41736 3.80435
71 1G8S MET 0.01868 0.41535 3.80435
72 2CJE DUN 0.001721 0.41396 3.80435
73 3T34 GDP 0.007877 0.40541 3.80435
74 1K97 CIR 0.005646 0.40385 3.80435
75 1K97 ASP 0.005646 0.40385 3.80435
76 3MAG SAH 0.003425 0.40348 3.80435
77 2YBQ UP2 0.0005634 0.40327 3.80435
78 3RF4 FUN 0.002876 0.44145 4.31034
79 2WIC GNP 0.000195 0.50891 4.34783
80 1G6O ADP 0.0003375 0.49163 4.34783
81 3A1S GDP 0.0004669 0.49016 4.34783
82 1O9U ADZ 0.003633 0.47066 4.34783
83 4HI0 GDP 0.001765 0.4404 4.34783
84 1DUV PSQ 0.002638 0.43263 4.34783
85 4DEM YS4 0.001486 0.42287 4.34783
86 1M7G ADP 0.0006533 0.41422 4.34783
87 4OYA 1VE 0.004725 0.41334 4.34783
88 1M7G ADX 0.00134 0.41049 4.34783
89 2BLE 5GP 0.001966 0.40719 4.34783
90 1SJD NPG 0.001198 0.40519 4.34783
91 3WO0 ALA 0.000532 0.40399 4.34783
92 3WO0 ADP 0.000532 0.40399 4.34783
93 2G86 UMP 0.001725 0.40161 4.34783
94 1QD0 RR6 0.002245 0.43059 4.6875
95 2ZTS ADP 0.0006969 0.46253 4.78088
96 3P3N AKG 0.002515 0.45623 4.8913
97 4LHM AZZ 0.002368 0.45107 4.8913
98 3NFZ 3NF 0.0009131 0.44624 4.8913
99 1Z6T ADP 0.002275 0.44313 4.8913
100 3EZ2 ADP 0.0103 0.43208 4.8913
101 3T12 GDP ALF 0.002583 0.42952 4.8913
102 2C5S AMP 0.004531 0.42767 4.8913
103 2WA4 069 0.002681 0.42751 4.8913
104 4TMZ GSP 0.002912 0.42393 4.8913
105 4OHY ANP 0.004248 0.41385 4.8913
106 1QXA GLY GLY GLY 0.03971 0.41133 4.8913
107 3HB5 E2B 0.001249 0.40461 4.8913
108 4R33 SAH 0.0005653 0.40065 4.8913
109 4R33 TRP 0.0005653 0.40065 4.8913
110 3SHR CMP 0.008619 0.41134 5.01672
111 3I8P 840 0.004978 0.40856 5.38642
112 3B9Q MLI 0.000154 0.54437 5.43478
113 4DKX GDP 0.000191 0.51546 5.43478
114 3GJ0 GDP 0.0002266 0.51172 5.43478
115 2WJG GDP 0.0002456 0.50994 5.43478
116 3GJ8 GDP 0.0003648 0.49545 5.43478
117 1EYE PMM 0.0003014 0.4655 5.43478
118 3DGB MUC 0.001037 0.44403 5.43478
119 3REF GDP 0.003124 0.42592 5.43478
120 2NX1 RP5 0.0001097 0.40956 5.43478
121 1TDF NAP 0.004076 0.40389 5.43478
122 3UEC ALA ARG TPO LYS 0.0008972 0.48482 5.47945
123 2QLX RM4 0.002228 0.46567 5.55556
124 2Y8E GNP 0.005668 0.40574 5.58659
125 4LHW GNP 0.005388 0.40665 5.74713
126 3S9K CIT 0.02976 0.43713 5.9322
127 1Z2A GDP 0.001697 0.43397 5.95238
128 4J0Q GDP 0.00008911 0.53915 5.97826
129 3U6B GDP 0.00009333 0.53811 5.97826
130 3U6K GDP 0.0002374 0.51069 5.97826
131 4IEE AGS 0.0004623 0.50207 5.97826
132 2A5J GDP 0.0009612 0.46966 5.97826
133 2BVN GNP 0.0009249 0.46573 5.97826
134 1F5N GNP 0.0004116 0.44916 5.97826
135 1L2T ATP 0.001878 0.42875 5.97826
136 3MBI HSX 0.01221 0.42822 5.97826
137 2R5T ANP 0.0007564 0.41869 5.97826
138 2V6O FAD 0.001868 0.41605 5.97826
139 1B63 ANP 0.0009844 0.41487 5.97826
140 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.0003905 0.41269 5.97826
141 2YC5 6BC 0.000267 0.41123 5.97826
142 1EP2 ORO 0.000329 0.4073 5.97826
143 3IPQ 965 0.0003307 0.40602 5.97826
144 2YVF NAD 0.002949 0.40312 5.97826
145 2RHW C0E 0.001433 0.41297 6.00707
146 3N5C GDP 0.0001377 0.52266 6.17284
147 3PCR GTP 0.002148 0.42959 6.17284
148 1Y9Q MED 0.009124 0.43 6.25
149 1XEX ATP 0.003669 0.41354 6.39535
150 2CBZ ATP 0.000005926 0.63049 6.52174
151 1S9D GDP 0.0002927 0.50018 6.52174
152 2F2U M77 0.0008834 0.45215 6.52174
153 2CK3 ANP 0.003262 0.43211 6.52174
154 2CK3 ADP 0.002757 0.42495 6.52174
155 4PNI KQQ 0.0002878 0.42488 6.52174
156 3CIP ATP 0.000439 0.41344 6.52174
157 3TMK T5A 0.0007766 0.411 6.52174
158 3A2Y TS5 0.005376 0.40355 6.52174
159 1DAK ADP 0.0009392 0.40155 6.52174
160 1IG3 VIB 0.0005059 0.40078 6.52174
161 1U8Z GDP 0.009726 0.40147 6.54762
162 1GXU 2HP 0.0007788 0.49871 6.59341
163 2O2C G6Q 0.006026 0.40541 6.68842
164 1JI0 ATP 0.00001768 0.58391 7.06522
165 3PQC GDP 0.00004993 0.53174 7.06522
166 1ZD9 GDP 0.000443 0.47145 7.06522
167 3PLN U5P 0.001837 0.44999 7.06522
168 2BIF SIN 0.002678 0.41439 7.06522
169 4Q0P 0MK 0.005672 0.40881 7.06522
170 1OYB HBA 0.00009248 0.40823 7.06522
171 2YOH WMJ 0.00242 0.407 7.06522
172 4C12 ADP 0.001419 0.40679 7.06522
173 2F5X ASP 0.04278 0.40547 7.06522
174 1SS4 GSH 0.006028 0.47643 7.18954
175 1WQ1 AF3 0.0477 0.40612 7.22892
176 3KMT SAH 0.02212 0.40362 7.56302
177 3NHB ADP 0.00003585 0.57477 7.6087
178 4LC1 GDP 0.0002233 0.51203 7.6087
179 2DPY ADP 0.0009593 0.49166 7.6087
180 3LXR GDP 0.0009316 0.47032 7.6087
181 1PEA ACM 0.003046 0.46649 7.6087
182 3R7F CP 0.01396 0.43017 7.6087
183 1QO0 BMD 0.02221 0.41853 7.6087
184 2ZFI ADP 0.0009495 0.48022 8.15217
185 2G77 GDP 0.001274 0.4548 8.15217
186 4Q0A 4OA 0.0004014 0.44051 8.15217
187 2BH9 NAP 0.003118 0.41626 8.15217
188 1F1V DHY 0.01139 0.41062 8.15217
189 1UDB NAD 0.001503 0.40518 8.15217
190 1UDB UFG 0.001503 0.40518 8.15217
191 2B4Q NAP 0.0002895 0.40233 8.15217
192 1N9L FMN 0.0000894 0.46395 8.25688
193 1X6V ADP 0.002454 0.41207 8.69565
194 4P83 U5P 0.03584 0.40004 8.79121
195 1GOJ ADP 0.00002042 0.60001 9.23913
196 3ZPG 5GP 0.005235 0.46235 9.23913
197 1W7J ADP BEF 0.002795 0.43898 9.23913
198 1U7Z PMT 0.0001909 0.41257 9.23913
199 3F81 STT 0.002516 0.47903 9.28962
200 2C78 GNP 0.002659 0.42898 9.78261
201 1QF5 RPL 0.001019 0.4076 9.78261
202 1QF5 GDP 0.001019 0.4076 9.78261
203 3FPZ AHZ 0.004886 0.40482 9.78261
204 1TIW FAD 0.0007783 0.40166 9.78261
205 1TIW TFB 0.0007783 0.40166 9.78261
206 4CVN ADP 0.0001156 0.54054 10.219
207 1TQ4 GDP 0.0003161 0.4736 10.3261
208 1JQ5 NAD 0.01091 0.40957 10.3261
209 1T0S BML 0.02194 0.42317 10.4651
210 3BER AMP 0.02789 0.40564 10.8696
211 3BY8 MLT 0.01637 0.42357 11.2676
212 4CCO OGA 0.004122 0.4346 11.413
213 1Z44 NPO 0.04881 0.42473 12.5
214 1Z44 FMN 0.008806 0.40286 12.5
215 2V5E SCR 0.0423 0.42097 12.8713
216 4COQ SAN 0.0005583 0.4868 13.0435
217 1KOL NAD 0.0002117 0.41544 13.0435
218 1YTM ATP 0.002835 0.43124 13.587
219 3FKQ ATP 0.005792 0.42431 13.587
220 3QV9 QV7 0.01168 0.41965 14.1304
221 2FYU FDN 0.003507 0.40667 14.5455
222 4AG5 ADP 0.00007249 0.55812 14.6739
223 2C9O ADP 0.002598 0.43293 14.6739
224 1J2J GTP 0.001877 0.43209 16.2651
225 2NCD ADP 0.0001019 0.54937 16.3043
226 1QHH ATP 0.01313 0.4184 16.3043
227 1E1O LYS 0.001178 0.40219 16.3043
228 1WDT GTP 0.0009407 0.45662 16.8478
229 2C04 GCP 0.006689 0.4214 16.8478
230 1FNN ADP 0.00301 0.4337 17.9348
231 3P13 RIP 0.0201 0.42474 18.0556
232 1EJE FMN 0.00141 0.4209 19.0217
233 3WY9 GDP 0.0001832 0.52292 21.875
234 3MJH GTP 0.005128 0.40754 23.5294
235 1JJ7 ADP 0.000002593 0.65192 25
236 1WDA BAG 0.002793 0.4366 25.5435
237 2A2X NA9 0.002462 0.4122 26.4706
238 1UF5 CDT 0.00152 0.44243 27.1739
Pocket No.: 2; Query (leader) PDB : 2QQ0; Ligand: ADP; Similar sites found: 141
This union binding pocket(no: 2) in the query (biounit: 2qq0.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PR5 FMN 0.00007991 0.46569 None
2 2IYG FMN 0.0006388 0.45245 None
3 2E1A MSE 0.001367 0.44979 None
4 1TUV VK3 0.01039 0.44672 None
5 4F4S EFO 0.003879 0.43576 None
6 1YRX FMN 0.001405 0.43394 None
7 1LNX URI 0.004777 0.43179 None
8 3KPE TM3 0.01627 0.41818 None
9 1SJW NGV 0.00339 0.41489 None
10 4IAE 1DX 0.00241 0.40017 1.63043
11 2Q37 3AL 0.01902 0.41001 1.65746
12 4KCF AKM 0.001851 0.40157 2.17391
13 2Z9V PXM 0.00254 0.44382 2.71739
14 4IXW IXW 0.00268 0.43737 2.71739
15 4NE2 SH2 0.000322 0.40892 2.71739
16 2J07 HDF 0.001062 0.40798 2.71739
17 2J07 FAD 0.001062 0.40798 2.71739
18 3A1I UNU 0.01133 0.40642 2.71739
19 1V35 NAI 0.0007164 0.40609 2.71739
20 1C0I FAD 0.001036 0.40548 2.71739
21 1C0I BE2 0.001036 0.40548 2.71739
22 4NE2 ADP 0.0004094 0.40462 2.71739
23 3OCZ SRA 0.006309 0.40098 2.71739
24 1C1L GAL BGC 0.002392 0.46418 2.91971
25 1MXI SAH 0.001844 0.41672 3.125
26 1SQ5 ADP 0.0001327 0.47975 3.26087
27 1V6A TRE 0.0006725 0.47579 3.26087
28 1Y42 TYR 0.001517 0.45363 3.26087
29 1H82 GZZ 0.0002212 0.43763 3.26087
30 1H82 FAD 0.0001832 0.43763 3.26087
31 2PP3 LGT 0.001243 0.436 3.26087
32 3H86 AP5 0.000117 0.43431 3.26087
33 1M5B BN1 0.001141 0.41301 3.26087
34 1P1M MET 0.001183 0.41222 3.26087
35 1R6D NAD 0.001803 0.40444 3.26087
36 1R6D DAU 0.001897 0.40294 3.26087
37 1SQ5 PAU 0.02229 0.40235 3.26087
38 3FC4 EDO 0.002273 0.40135 3.26087
39 4F8L GAL 0.002768 0.49657 3.44828
40 3MAG 3MA 0.006723 0.465 3.80435
41 1RZM E4P 0.002462 0.46357 3.80435
42 1V7R CIT 0.01663 0.44341 3.80435
43 4P4T GDP 0.0003444 0.4429 3.80435
44 2QV7 ADP 0.0006885 0.44112 3.80435
45 1FW1 GSH 0.002255 0.42593 3.80435
46 1RZM PEP 0.01018 0.41736 3.80435
47 1G8S MET 0.01868 0.41535 3.80435
48 2CJE DUN 0.001721 0.41396 3.80435
49 1K97 ASP 0.005646 0.40385 3.80435
50 1K97 CIR 0.005646 0.40385 3.80435
51 3MAG SAH 0.003425 0.40348 3.80435
52 2YBQ UP2 0.0005634 0.40327 3.80435
53 3RF4 FUN 0.002876 0.44145 4.31034
54 1O9U ADZ 0.003633 0.47066 4.34783
55 4DEM YS4 0.001486 0.42287 4.34783
56 4OYA 1VE 0.004725 0.41334 4.34783
57 2BLE 5GP 0.001966 0.40719 4.34783
58 1SJD NPG 0.001198 0.40519 4.34783
59 3WO0 ADP 0.000532 0.40399 4.34783
60 3WO0 ALA 0.000532 0.40399 4.34783
61 2G86 UMP 0.001725 0.40161 4.34783
62 1QD0 RR6 0.002245 0.43059 4.6875
63 3P3N AKG 0.002515 0.45623 4.8913
64 4LHM AZZ 0.002368 0.45107 4.8913
65 3NFZ 3NF 0.0009131 0.44624 4.8913
66 2C5S AMP 0.004531 0.42767 4.8913
67 2WA4 069 0.002681 0.42751 4.8913
68 3HB5 E2B 0.001249 0.40461 4.8913
69 4R33 TRP 0.0005653 0.40065 4.8913
70 4R33 SAH 0.0005653 0.40065 4.8913
71 3SHR CMP 0.008619 0.41134 5.01672
72 3I8P 840 0.004978 0.40856 5.38642
73 1EYE PMM 0.0003014 0.4655 5.43478
74 3DGB MUC 0.001037 0.44403 5.43478
75 2NX1 RP5 0.0001097 0.40956 5.43478
76 1TDF NAP 0.004076 0.40389 5.43478
77 3UEC ALA ARG TPO LYS 0.0008972 0.48482 5.47945
78 2QLX RM4 0.002228 0.46567 5.55556
79 3S9K CIT 0.02976 0.43713 5.9322
80 2R5T ANP 0.0007564 0.41869 5.97826
81 2V6O FAD 0.001868 0.41605 5.97826
82 1B63 ANP 0.0009844 0.41487 5.97826
83 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.0003905 0.41269 5.97826
84 2YC5 6BC 0.000267 0.41123 5.97826
85 1EP2 ORO 0.000329 0.4073 5.97826
86 3IPQ 965 0.0003307 0.40602 5.97826
87 2YVF NAD 0.002949 0.40312 5.97826
88 2RHW C0E 0.001433 0.41297 6.00707
89 1Y9Q MED 0.009124 0.43 6.25
90 2F2U M77 0.0008834 0.45215 6.52174
91 4PNI KQQ 0.0002878 0.42488 6.52174
92 3CIP ATP 0.000439 0.41344 6.52174
93 3A2Y TS5 0.005376 0.40355 6.52174
94 1DAK DPU 0.0009392 0.40155 6.52174
95 1DAK ADP 0.0009392 0.40155 6.52174
96 1IG3 VIB 0.0005059 0.40078 6.52174
97 2O2C G6Q 0.006026 0.40541 6.68842
98 3PLN U5P 0.001837 0.44999 7.06522
99 4Q0P 0MK 0.005672 0.40881 7.06522
100 1OYB HBA 0.00009248 0.40823 7.06522
101 4C12 ADP 0.001419 0.40679 7.06522
102 1XMV ADP 0.001381 0.4063 7.06522
103 1SS4 GSH 0.006028 0.47643 7.18954
104 3KMT SAH 0.002504 0.42416 7.56302
105 1PEA ACM 0.003046 0.46649 7.6087
106 1QO0 BMD 0.005453 0.44049 7.6087
107 4Q0A 4OA 0.0004014 0.44051 8.15217
108 2BH9 NAP 0.003118 0.41626 8.15217
109 1F1V DHY 0.01139 0.41062 8.15217
110 1UDB UFG 0.001503 0.40518 8.15217
111 1UDB NAD 0.001503 0.40518 8.15217
112 2B4Q NAP 0.0002895 0.40233 8.15217
113 1N9L FMN 0.0000894 0.46395 8.25688
114 1W7J ADP BEF 0.00008972 0.46912 9.23913
115 3ZPG 5GP 0.005235 0.46235 9.23913
116 1U7Z PMT 0.0001909 0.41257 9.23913
117 3F81 STT 0.002516 0.47903 9.28962
118 1QF5 RPL 0.001019 0.4076 9.78261
119 1QF5 GDP 0.001019 0.4076 9.78261
120 3FPZ AHZ 0.004886 0.40482 9.78261
121 1TIW TFB 0.0007783 0.40166 9.78261
122 1TIW FAD 0.0007783 0.40166 9.78261
123 1JQ5 NAD 0.01091 0.40957 10.3261
124 1T0S BML 0.02194 0.42317 10.4651
125 3BY8 MLT 0.01637 0.42357 11.2676
126 4CCO OGA 0.004122 0.4346 11.413
127 1Z44 NPO 0.04881 0.42473 12.5
128 1Z44 FMN 0.008806 0.40286 12.5
129 2V5E SCR 0.0423 0.42097 12.8713
130 4COQ SAN 0.0005583 0.4868 13.0435
131 1KOL NAD 0.0002117 0.41544 13.0435
132 3QV9 QV7 0.01168 0.41965 14.1304
133 2FYU FDN 0.003507 0.40667 14.5455
134 2C9O ADP 0.00005604 0.42032 14.6739
135 2NCD ADP 0.000001415 0.59679 16.3043
136 1E1O LYS 0.001178 0.40219 16.3043
137 1EJE FMN 0.00141 0.4209 19.0217
138 1JJ7 ADP 0.02516 0.4496 25
139 1WDA BAG 0.002793 0.4366 25.5435
140 2A2X NA9 0.002462 0.4122 26.4706
141 1UF5 CDT 0.00152 0.44243 27.1739
Pocket No.: 3; Query (leader) PDB : 2QQ0; Ligand: ANP; Similar sites found: 242
This union binding pocket(no: 3) in the query (biounit: 2qq0.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PR5 FMN 0.00008066 0.46555 None
2 2IYG FMN 0.0004295 0.45935 None
3 1TUV VK3 0.006664 0.45684 None
4 4F4S EFO 0.001514 0.45366 None
5 2E1A MSE 0.001709 0.44567 None
6 1YRX FMN 0.001335 0.4348 None
7 1SJW NGV 0.002448 0.42024 None
8 1LNX URI 0.008794 0.42015 None
9 2WKQ GTP 0.004041 0.41784 None
10 2JGS BTN 0.02792 0.40015 None
11 3IU9 T07 0.001157 0.41361 1.63043
12 2Q37 3AL 0.01643 0.4129 1.65746
13 4LPS GDP 0.0007578 0.47976 2.17391
14 2FNA ADP 0.002267 0.432 2.17391
15 4G87 UD1 0.0008733 0.40818 2.17391
16 4BQS ADP 0.0002713 0.50775 2.27273
17 1Z08 GNP 0.002691 0.4254 2.35294
18 4QOS ADP 0.0002793 0.4956 2.71739
19 4IXW IXW 0.001977 0.44298 2.71739
20 3OBT SLB 0.004438 0.43911 2.71739
21 4M9Q GNP 0.001659 0.43791 2.71739
22 2OM2 GDP 0.002337 0.43497 2.71739
23 2HF9 GSP 0.003756 0.43303 2.71739
24 2Z9V PXM 0.006148 0.42698 2.71739
25 1G4U GDP 0.005423 0.42208 2.71739
26 1GP2 GDP 0.003872 0.41863 2.71739
27 1FQJ GDP 0.004318 0.4166 2.71739
28 2RDT 2RD 0.001485 0.41532 2.71739
29 1FQK GDP 0.004774 0.41473 2.71739
30 1V35 NAI 0.0005059 0.41053 2.71739
31 1FQK ALF 0.03902 0.40841 2.71739
32 1C0I FAD 0.0008698 0.40774 2.71739
33 1C0I BE2 0.0008698 0.40774 2.71739
34 1VDC FAD 0.001133 0.40622 2.71739
35 1FQJ ALF 0.04577 0.4043 2.71739
36 3OCZ SRA 0.006537 0.40041 2.71739
37 1C1L GAL BGC 0.003483 0.45626 2.91971
38 1MXI SAH 0.001882 0.4164 3.125
39 4NON GDP 0.0001409 0.52215 3.26087
40 1SQ5 ADP 0.0003219 0.49814 3.26087
41 1V6A TRE 0.0006833 0.47548 3.26087
42 3FC4 EDO 0.0001125 0.44142 3.26087
43 1H82 FAD 0.0002005 0.43642 3.26087
44 1H82 GZZ 0.000242 0.43642 3.26087
45 4H1V GNP 0.003516 0.43437 3.26087
46 1M7B GTP 0.002478 0.43384 3.26087
47 2BCG GDP 0.003207 0.43245 3.26087
48 1Y42 TYR 0.006212 0.42679 3.26087
49 3H86 AP5 0.0004674 0.42199 3.26087
50 1SQ5 PAU 0.01122 0.41551 3.26087
51 3FIU POP 0.02866 0.41445 3.26087
52 1M5B BN1 0.001041 0.41423 3.26087
53 2PP3 LGT 0.004542 0.41408 3.26087
54 1R6D DAU 0.001739 0.4041 3.26087
55 1P1M MET 0.002155 0.40352 3.26087
56 1REO FAD 0.0007499 0.40328 3.26087
57 4F8L GAL 0.002144 0.50292 3.44828
58 4V0K GDP 0.002336 0.42477 3.5503
59 3MAG 3MA 0.001018 0.50983 3.80435
60 1G7S GDP 0.000432 0.49182 3.80435
61 1RZM E4P 0.002579 0.4626 3.80435
62 4P4T GDP 0.001195 0.45191 3.80435
63 1G3Q ADP 0.003626 0.44612 3.80435
64 1FW1 GSH 0.001317 0.43503 3.80435
65 1RZM PEP 0.00685 0.42492 3.80435
66 1G8S MET 0.01172 0.4249 3.80435
67 2QV7 ADP 0.002234 0.42175 3.80435
68 2XVE FAD 0.001769 0.4101 3.80435
69 2YBQ UP2 0.0003321 0.40984 3.80435
70 3T34 GDP 0.006892 0.4079 3.80435
71 3MAG SAH 0.002649 0.40739 3.80435
72 2CJE DUN 0.002989 0.40555 3.80435
73 1B7Y FYA 0.001132 0.40273 3.80435
74 3RF4 FUN 0.001083 0.46004 4.31034
75 2WIC GNP 0.0001909 0.50936 4.34783
76 1O9U ADZ 0.0008216 0.50447 4.34783
77 3A1S GDP 0.000423 0.49228 4.34783
78 1G6O ADP 0.0006122 0.47913 4.34783
79 4HI0 GDP 0.001679 0.44136 4.34783
80 1DUV PSQ 0.003488 0.42723 4.34783
81 4OYA 1VE 0.003255 0.41881 4.34783
82 4DEM YS4 0.002395 0.41607 4.34783
83 1M7G ADP 0.000654 0.41423 4.34783
84 1M7G ADX 0.001217 0.41204 4.34783
85 1OAA OAA 0.0007161 0.40823 4.34783
86 5A2J ALA PRO ASP THR ARG PRO 0.04973 0.40777 4.34783
87 3WO0 ALA 0.0006126 0.40223 4.34783
88