Receptor
PDB id Resolution Class Description Source Keywords
1G6C 1.4 Å EC: 2.5.1.3 THIAMIN PHOSPHATE SYNTHASE BACILLUS SUBTILIS THIAMIN BIOSYNTHESIS TIM BARREL TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF THE ENZYME-SUBSTRATE, ENZYME-INTERMEDIATE, AND ENZYME-PRODUCT COMPLEXES OF THIAMIN PHOSPHATE SYNTHASE. BIOCHEMISTRY V. 40 10103 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IFP A:2001;
B:2002;
Valid;
Valid;
none;
none;
submit data
175.111 C6 H4 F3 N3 C=C1C...
MG A:2007;
B:2008;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
POP A:2003;
B:2004;
Invalid;
Invalid;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
TZP A:2005;
B:2006;
Valid;
Valid;
none;
none;
submit data
223.187 C6 H10 N O4 P S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2TPS 1.25 Å EC: 2.5.1.3 THIAMIN PHOSPHATE SYNTHASE BACILLUS SUBTILIS THIAMIN BIOSYNTHESIS TIM BARREL
Ref.: CRYSTAL STRUCTURE OF THIAMIN PHOSPHATE SYNTHASE FROM BACILLUS SUBTILIS AT 1.25 A RESOLUTION. BIOCHEMISTRY V. 38 6460 1999
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1G4S - TPS C12 H18 N4 O4 P S Cc1c(sc[n+....
2 2TPS - TPS C12 H18 N4 O4 P S Cc1c(sc[n+....
3 1G67 - TZP C6 H10 N O4 P S Cc1c(scn1)....
4 1G4P - FQP C6 H8 F3 N3 O7 P2 c1c(c(nc(n....
5 1G6C - TZP C6 H10 N O4 P S Cc1c(scn1)....
6 1G4T - FTP C12 H13 F3 N4 O4 P S Cc1c(sc[n+....
7 1G69 - TZP C6 H10 N O4 P S Cc1c(scn1)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1G4S - TPS C12 H18 N4 O4 P S Cc1c(sc[n+....
2 2TPS - TPS C12 H18 N4 O4 P S Cc1c(sc[n+....
3 1G67 - TZP C6 H10 N O4 P S Cc1c(scn1)....
4 1G4P - FQP C6 H8 F3 N3 O7 P2 c1c(c(nc(n....
5 1G6C - TZP C6 H10 N O4 P S Cc1c(scn1)....
6 1G4T - FTP C12 H13 F3 N4 O4 P S Cc1c(sc[n+....
7 1G69 - TZP C6 H10 N O4 P S Cc1c(scn1)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1G4S - TPS C12 H18 N4 O4 P S Cc1c(sc[n+....
2 2TPS - TPS C12 H18 N4 O4 P S Cc1c(sc[n+....
3 1G67 - TZP C6 H10 N O4 P S Cc1c(scn1)....
4 1G4P - FQP C6 H8 F3 N3 O7 P2 c1c(c(nc(n....
5 1G6C - TZP C6 H10 N O4 P S Cc1c(scn1)....
6 1G4T - FTP C12 H13 F3 N4 O4 P S Cc1c(sc[n+....
7 1G69 - TZP C6 H10 N O4 P S Cc1c(scn1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IFP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 IFP 1 1
2 ICP 0.421053 0.806452
Ligand no: 2; Ligand: TZP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 TZP 1 1
2 TZE 0.488372 0.604167
3 3NM 0.436364 0.92
Similar Ligands (3D)
Ligand no: 1; Ligand: IFP; Similar ligands found: 1202
No: Ligand Similarity coefficient
1 AKG 1.0000
2 X0V 0.9959
3 4SX 0.9874
4 EKZ 0.9850
5 4FH 0.9778
6 DHB 0.9759
7 4NC 0.9742
8 TSU 0.9716
9 JLZ 0.9716
10 SAN 0.9716
11 MYJ 0.9677
12 SVD 0.9675
13 INO 0.9661
14 UFV 0.9651
15 93K 0.9650
16 P9P 0.9634
17 4A3 0.9627
18 2HO 0.9620
19 RHU 0.9608
20 3HM 0.9604
21 QSB 0.9601
22 XX2 0.9600
23 FCR 0.9589
24 4J8 0.9588
25 CHB 0.9585
26 FHB 0.9582
27 FBS 0.9579
28 LNR 0.9572
29 8WO 0.9572
30 NNO 0.9571
31 AAS 0.9569
32 XCZ 0.9565
33 IHB 0.9564
34 9TW 0.9557
35 XXG 0.9554
36 FBW 0.9549
37 51R 0.9526
38 PHB 0.9523
39 ASO 0.9520
40 FA1 0.9519
41 BDP 0.9508
42 AMS 0.9503
43 K5W 0.9501
44 3FH 0.9491
45 DHK 0.9483
46 E7Z 0.9472
47 CN0 0.9457
48 A13 0.9437
49 3PF 0.9436
50 3OC 0.9434
51 NPO 0.9434
52 GDE 0.9429
53 PMB 0.9422
54 PAB 0.9422
55 1Y6 0.9421
56 3AB 0.9418
57 DBX 0.9417
58 4CS 0.9416
59 VNL 0.9413
60 L99 0.9411
61 ZXD 0.9407
62 HBD 0.9406
63 4AA 0.9402
64 SKM 0.9398
65 FB2 0.9390
66 LT2 0.9387
67 GAB 0.9387
68 KBB 0.9385
69 FB1 0.9385
70 F31 0.9384
71 3HB 0.9378
72 3NT 0.9375
73 KOJ 0.9372
74 FBV 0.9370
75 WCE 0.9370
76 XM0 0.9367
77 DHS 0.9358
78 36E 0.9356
79 M4S 0.9352
80 8GC 0.9352
81 AC6 0.9347
82 EXD 0.9347
83 FBU 0.9345
84 Z82 0.9345
85 OVV 0.9344
86 5WV 0.9340
87 EDR 0.9339
88 EYK 0.9335
89 0HO 0.9334
90 G3E 0.9333
91 P72 0.9332
92 4P5 0.9331
93 RSO 0.9325
94 4MA 0.9324
95 4XV 0.9321
96 DMD 0.9319
97 2ZM 0.9317
98 HDH 0.9316
99 5NI 0.9316
100 4XR 0.9315
101 3ID 0.9310
102 FA3 0.9310
103 4Z4 0.9307
104 PBZ 0.9307
105 53C 0.9307
106 5HN 0.9306
107 NMJ 0.9303
108 D48 0.9302
109 1F1 0.9302
110 ASC 0.9300
111 1SA 0.9299
112 TTL 0.9298
113 5QY 0.9298
114 6NT 0.9296
115 PNZ 0.9293
116 OTR 0.9290
117 0HN 0.9290
118 174 0.9290
119 CTS 0.9289
120 4XS 0.9288
121 QSH 0.9284
122 6M4 0.9283
123 GYE 0.9280
124 7W4 0.9278
125 FGZ 0.9278
126 173 0.9277
127 1DV 0.9273
128 QMP 0.9272
129 ISN 0.9270
130 KKN 0.9269
131 3NY 0.9269
132 3A9 0.9268
133 8K2 0.9266
134 MJ2 0.9265
135 826 0.9264
136 86J 0.9262
137 ES7 0.9258
138 HIS 0.9256
139 GCU 0.9255
140 HQJ 0.9255
141 4ZA 0.9253
142 GTR 0.9252
143 ADA 0.9251
144 QIC 0.9244
145 BRT 0.9243
146 TWO 0.9241
147 SYV 0.9241
148 5QX 0.9240
149 KTA 0.9240
150 SW7 0.9237
151 SJ5 0.9236
152 PIM 0.9236
153 H42 0.9234
154 BEN 0.9233
155 J5I 0.9232
156 WOT 0.9230
157 A09 0.9230
158 J9Q 0.9229
159 4WL 0.9229
160 ANN 0.9228
161 NCA 0.9227
162 3SL 0.9226
163 MWP 0.9226
164 7W1 0.9223
165 4JC 0.9221
166 KJH 0.9219
167 LDP 0.9218
168 3BZ 0.9218
169 FA0 0.9218
170 5RO 0.9218
171 DOB 0.9217
172 AZ9 0.9216
173 NOY 0.9215
174 SE2 0.9215
175 PEP 0.9214
176 BEZ 0.9214
177 R8V 0.9213
178 TPA 0.9212
179 23J 0.9211
180 M1A 0.9207
181 6NI 0.9206
182 LCN 0.9205
183 GTQ 0.9205
184 BAM 0.9205
185 6FZ 0.9204
186 0W8 0.9203
187 12Q 0.9203
188 1P3 0.9203
189 QY9 0.9203
190 BGC 0.9203
191 DQA 0.9201
192 ABI 0.9201
193 PZI 0.9198
194 RMN 0.9198
195 PAC 0.9197
196 52C 0.9197
197 MAJ 0.9194
198 4HM 0.9192
199 6PC 0.9192
200 ET2 0.9191
201 5CU 0.9191
202 GZL 0.9189
203 BPN 0.9189
204 2HU 0.9189
205 HHI 0.9188
206 3F0 0.9188
207 BZ2 0.9188
208 GCB 0.9186
209 5RN 0.9185
210 EVA 0.9181
211 VXX 0.9181
212 2A9 0.9178
213 3HA 0.9178
214 NTN 0.9176
215 Q88 0.9174
216 HPS 0.9173
217 AMH 0.9173
218 4JQ 0.9173
219 DBH 0.9172
220 2AL 0.9172
221 FBT 0.9172
222 6OT 0.9170
223 EA1 0.9170
224 BHA 0.9169
225 2HQ 0.9167
226 CLW 0.9166
227 SAF 0.9166
228 J9T 0.9165
229 GLC 0.9164
230 L5V 0.9164
231 6TZ 0.9164
232 BE2 0.9163
233 HQT 0.9161
234 2FY 0.9161
235 ORO 0.9161
236 SAL 0.9161
237 G4D 0.9160
238 67N 0.9160
239 5RG 0.9159
240 MSR 0.9158
241 4M0 0.9156
242 CFI 0.9154
243 X05 0.9152
244 KBZ 0.9152
245 3M0 0.9152
246 NIO 0.9152
247 BEA 0.9150
248 F1A 0.9150
249 DGJ 0.9149
250 NOJ 0.9147
251 VGL 0.9147
252 2K4 0.9145
253 COU 0.9145
254 7N0 0.9144
255 92K 0.9144
256 OAA 0.9144
257 G2F 0.9143
258 Q02 0.9143
259 R9S 0.9142
260 2PG 0.9142
261 2AQ 0.9141
262 GWM 0.9141
263 E5X 0.9141
264 ICO 0.9141
265 97T 0.9139
266 OCH 0.9138
267 HQD 0.9138
268 03V 0.9137
269 9FL 0.9136
270 LMR 0.9136
271 44V 0.9134
272 SOE 0.9134
273 HHA 0.9131
274 FEH 0.9131
275 URC 0.9131
276 2O6 0.9131
277 PIY 0.9130
278 6ME 0.9129
279 ES2 0.9127
280 0F9 0.9127
281 6RQ 0.9126
282 SPV 0.9126
283 42J 0.9124
284 4FS 0.9124
285 PHU 0.9124
286 DOR 0.9122
287 IF7 0.9122
288 5MI 0.9121
289 36R 0.9121
290 1P8 0.9121
291 1SQ 0.9121
292 HX3 0.9121
293 15E 0.9121
294 15L 0.9120
295 IFL 0.9120
296 A7W 0.9120
297 54G 0.9120
298 14O 0.9119
299 KUF 0.9119
300 MLT 0.9119
301 DA4 0.9118
302 XX3 0.9118
303 RAT 0.9118
304 HHH 0.9118
305 9TZ 0.9118
306 F60 0.9117
307 ISZ 0.9117
308 5NU 0.9117
309 5SG 0.9116
310 5H1 0.9116
311 ES5 0.9116
312 4NM 0.9116
313 ES0 0.9115
314 NBZ 0.9115
315 N5J 0.9114
316 TLA 0.9114
317 1LQ 0.9113
318 DNF 0.9112
319 D1X 0.9112
320 5IQ 0.9111
321 TZF 0.9110
322 DHY 0.9109
323 6CS 0.9109
324 NIZ 0.9109
325 SKA 0.9108
326 CWM 0.9107
327 5OB 0.9107
328 DYT 0.9105
329 K2T 0.9105
330 069 0.9105
331 3U4 0.9105
332 FE DB1 0.9104
333 4YO 0.9104
334 TIU 0.9104
335 G3F 0.9103
336 GAL 0.9103
337 V55 0.9102
338 ICB 0.9102
339 R67 0.9101
340 7MU 0.9101
341 34D 0.9101
342 152 0.9099
343 O72 0.9098
344 GJZ 0.9098
345 SNU 0.9098
346 5M0 0.9097
347 PEQ 0.9096
348 0V5 0.9096
349 PBC 0.9096
350 DIN 0.9095
351 3DO 0.9095
352 2C2 0.9095
353 AHR 0.9093
354 YCP 0.9089
355 AL0 0.9089
356 UNU 0.9088
357 MR1 0.9086
358 1NP 0.9083
359 JBH 0.9083
360 OXC 0.9082
361 AX7 0.9082
362 URQ 0.9081
363 3SK 0.9081
364 PZA 0.9081
365 11S 0.9080
366 0P6 0.9079
367 PO6 0.9079
368 EUG 0.9078
369 4M4 0.9078
370 SS1 0.9078
371 SWA 0.9077
372 H7Y 0.9077
373 XSP 0.9077
374 HBA 0.9077
375 BCU 0.9074
376 AFR 0.9074
377 JPZ 0.9074
378 BHO 0.9074
379 CWS 0.9073
380 4YS 0.9072
381 SHA 0.9070
382 5Q0 0.9070
383 4SV 0.9070
384 IJZ 0.9070
385 JTH 0.9070
386 ES1 0.9069
387 PXL 0.9069
388 5GU 0.9068
389 IPB 0.9068
390 IAC 0.9067
391 VOH 0.9067
392 DX3 0.9066
393 0TU 0.9066
394 S7J 0.9066
395 1LM 0.9065
396 MQN 0.9065
397 5MB 0.9064
398 JBK 0.9064
399 24W 0.9063
400 0N7 0.9063
401 DYA 0.9063
402 GVG 0.9063
403 SN4 0.9062
404 IV2 0.9061
405 3C4 0.9061
406 6AI 0.9060
407 PHE 0.9058
408 RNT 0.9057
409 XIY 0.9057
410 TYL 0.9054
411 13P 0.9054
412 ES6 0.9053
413 259 0.9051
414 4NG 0.9051
415 270 0.9051
416 15N 0.9051
417 HQY 0.9050
418 4BZ 0.9050
419 8CM 0.9049
420 DS0 0.9049
421 717 0.9049
422 ROI 0.9048
423 8OZ 0.9048
424 9CA 0.9047
425 FOT 0.9047
426 CPZ 0.9047
427 12T 0.9045
428 M6N 0.9044
429 CTL 0.9044
430 GRO 0.9043
431 XQ0 0.9043
432 EOL 0.9043
433 0JD 0.9042
434 SMN 0.9041
435 HIO 0.9041
436 B85 0.9040
437 GLU 0.9039
438 SEP 0.9038
439 SRT 0.9038
440 7WR 0.9038
441 AC0 0.9038
442 N3W 0.9037
443 ALE 0.9036
444 XDE 0.9036
445 M4T 0.9035
446 4JT 0.9035
447 H4N 0.9034
448 FK1 0.9034
449 RNS 0.9033
450 AEH 0.9033
451 BZ3 0.9033
452 ESP 0.9033
453 LGC 0.9031
454 AW5 0.9031
455 ES9 0.9031
456 ABV 0.9031
457 F0J 0.9029
458 GIV 0.9028
459 VGD 0.9028
460 H4E 0.9027
461 KGK 0.9027
462 LYL 0.9026
463 45L 0.9026
464 5MK 0.9026
465 VNJ 0.9026
466 HFA 0.9025
467 SS2 0.9024
468 F9P 0.9023
469 82I 0.9021
470 7WV 0.9021
471 NDH 0.9020
472 MTL 0.9019
473 BZX 0.9019
474 G3H 0.9018
475 G3P 0.9018
476 TGX 0.9017
477 FBB 0.9016
478 2HC 0.9016
479 K7M 0.9015
480 BNS 0.9015
481 QUS 0.9014
482 J9W 0.9014
483 4HC 0.9013
484 TH7 0.9013
485 OMD 0.9012
486 L7T 0.9011
487 Q6T 0.9011
488 OW4 0.9010
489 5VM 0.9010
490 MRW 0.9006
491 3MB 0.9006
492 9PY 0.9005
493 CXF 0.9005
494 3Z8 0.9003
495 ESI 0.9002
496 8NY 0.9001
497 SX1 0.9001
498 KJU 0.9001
499 QUZ 0.9001
500 3BU 0.8999
501 IP0 0.8999
502 HLZ 0.8998
503 FBM 0.8998
504 HCI 0.8995
505 ODO 0.8994
506 NAG 0.8994
507 OVM 0.8994
508 GZ3 0.8993
509 R1P 0.8993
510 ONR 0.8993
511 M0W 0.8992
512 1IT 0.8992
513 0FN 0.8992
514 QSC 0.8990
515 GLA 0.8989
516 F05 0.8989
517 HSO 0.8988
518 7ME 0.8988
519 NPY 0.8988
520 2FG 0.8986
521 EGR 0.8986
522 1GN 0.8985
523 4XH 0.8985
524 FYU 0.8985
525 X6X 0.8984
526 1P7 0.8984
527 GCS 0.8983
528 75K 0.8983
529 AZ8 0.8982
530 HH8 0.8982
531 8ZE 0.8982
532 JKE 0.8982
533 MS9 0.8980
534 8S0 0.8980
535 G5V 0.8980
536 3IT 0.8979
537 ALL 0.8978
538 OHP 0.8978
539 2H5 0.8977
540 H62 0.8977
541 GXL 0.8977
542 TTY 0.8975
543 LR5 0.8975
544 3YP 0.8973
545 BE7 0.8971
546 6M9 0.8971
547 M0Q 0.8971
548 5XC 0.8970
549 HNK 0.8970
550 GF4 0.8970
551 428 0.8970
552 8U3 0.8969
553 GAF 0.8968
554 B62 0.8968
555 I3A 0.8968
556 DBJ 0.8967
557 J9N 0.8967
558 7WG 0.8966
559 8TX 0.8966
560 ESX 0.8966
561 3AL 0.8965
562 HJP 0.8965
563 HMH 0.8964
564 ASP 0.8964
565 F4E 0.8964
566 4FA 0.8963
567 JB5 0.8962
568 2CK 0.8962
569 ADE 0.8962
570 EVF 0.8962
571 KFH 0.8962
572 GXY 0.8961
573 SYA 0.8961
574 TOF 0.8960
575 XAZ 0.8959
576 FBF 0.8959
577 PA1 0.8957
578 URS 0.8955
579 2MI 0.8954
580 YIO 0.8953
581 OGA 0.8953
582 PRZ 0.8951
583 4HP 0.8951
584 NVU 0.8951
585 Q24 0.8950
586 1M2 0.8950
587 2D0 0.8948
588 FK8 0.8948
589 4VP 0.8948
590 FAN 0.8948
591 JAW 0.8947
592 A29 0.8946
593 TEO 0.8946
594 FQI 0.8946
595 JFJ 0.8945
596 9RW 0.8945
597 RM1 0.8945
598 9R5 0.8944
599 7VS 0.8943
600 3HP 0.8942
601 3PG 0.8941
602 HG3 0.8941
603 TAG 0.8941
604 HA5 0.8941
605 OVP 0.8940
606 NCT 0.8940
607 3AE 0.8938
608 M5K 0.8937
609 JDN 0.8936
610 KBG 0.8935
611 M1H 0.8934
612 GUA 0.8934
613 4AV 0.8933
614 AEG 0.8933
615 AKH 0.8932
616 9EW 0.8932
617 7B4 0.8932
618 149 0.8931
619 AHB 0.8930
620 HMU 0.8930
621 E4P 0.8929
622 7NI 0.8929
623 IFM 0.8928
624 0W1 0.8928
625 2F6 0.8927
626 GUN 0.8927
627 UNJ 0.8927
628 1GP 0.8926
629 K97 0.8926
630 R20 0.8925
631 UNC 0.8925
632 5LA 0.8923
633 NGO 0.8922
634 4ME 0.8922
635 R2P 0.8921
636 L3Q 0.8921
637 WOO 0.8920
638 449 0.8920
639 C2Y 0.8920
640 FBA 0.8919
641 DGN 0.8918
642 AJ2 0.8916
643 HPA 0.8916
644 39O 0.8913
645 T9G 0.8912
646 SVN 0.8912
647 I1E 0.8910
648 APG 0.8910
649 5JQ 0.8910
650 5NS 0.8910
651 HY1 0.8909
652 8WT 0.8909
653 E1T 0.8909
654 2BG 0.8908
655 4JL 0.8906
656 HLR 0.8906
657 3XX 0.8906
658 GLF 0.8905
659 C1M 0.8904
660 4VY 0.8903
661 AQO 0.8903
662 N2I 0.8902
663 RB5 0.8901
664 1DJ 0.8901
665 92P 0.8900
666 1DQ 0.8900
667 DHR 0.8900
668 2FT 0.8898
669 ADZ 0.8898
670 DAS 0.8898
671 TAR 0.8897
672 2FQ 0.8897
673 0RW 0.8895
674 RUY 0.8895
675 1WD 0.8895
676 AEF 0.8894
677 C2B 0.8894
678 YRL 0.8892
679 AJV 0.8890
680 UEG 0.8889
681 TSS 0.8889
682 24B 0.8888
683 36Y 0.8888
684 HQ9 0.8887
685 FDR 0.8885
686 42C 0.8884
687 JG8 0.8883
688 M58 0.8883
689 10L 0.8882
690 G2H 0.8881
691 X09 0.8880
692 OTW 0.8880
693 MEW 0.8880
694 ZZZ 0.8880
695 DIU 0.8880
696 MNN 0.8879
697 MUA 0.8879
698 2LY 0.8878
699 C2U 0.8878
700 40E 0.8876
701 CH9 0.8876
702 E7S 0.8876
703 BTY 0.8875
704 I3E 0.8875
705 ZYR 0.8875
706 XHP 0.8873
707 9ZE 0.8873
708 FP1 0.8873
709 IWT 0.8873
710 5B1 0.8872
711 MNM 0.8870
712 2EC 0.8870
713 QX4 0.8870
714 RBJ 0.8869
715 Z13 0.8869
716 KT7 0.8866
717 PGH 0.8865
718 4MU 0.8865
719 TEP 0.8865
720 DQU 0.8865
721 9FE 0.8865
722 KTW 0.8864
723 OA3 0.8863
724 Z5P 0.8863
725 HDL 0.8863
726 FDK 0.8863
727 14J 0.8862
728 COI 0.8861
729 0FO 0.8861
730 44W 0.8860
731 3QM 0.8860
732 PBA 0.8859
733 RIB 0.8859
734 MXN 0.8859
735 HXX 0.8859
736 9MG 0.8859
737 JBE 0.8858
738 7HP 0.8858
739 AZA 0.8858
740 0LH 0.8856
741 8XL 0.8856
742 SWD 0.8855
743 FH2 0.8854
744 8NX 0.8854
745 9DG 0.8853
746 AY4 0.8851
747 DE5 0.8851
748 GP9 0.8851
749 IOS 0.8851
750 6M1 0.8851
751 N8Y 0.8850
752 PE0 0.8850
753 M1E 0.8850
754 1WC 0.8850
755 HC4 0.8849
756 8H8 0.8849
757 23A 0.8848
758 OXZ 0.8848
759 K34 0.8848
760 2LP 0.8847
761 1XA 0.8847
762 JAE 0.8847
763 XAN 0.8845
764 NSP 0.8845
765 SYG 0.8845
766 0OC 0.8844
767 M2K 0.8844
768 6F0 0.8844
769 AZG 0.8843
770 PDC 0.8843
771 DEE 0.8842
772 KVP 0.8841
773 B55 0.8840
774 CWJ 0.8840
775 6MP 0.8840
776 9RH 0.8839
777 F9Y 0.8839
778 S24 0.8838
779 VK3 0.8838
780 5XB 0.8838
781 JB8 0.8837
782 SRO 0.8837
783 4P0 0.8836
784 S2G 0.8836
785 GLN 0.8836
786 FDB 0.8836
787 KJY 0.8834
788 7HQ 0.8834
789 948 0.8834
790 CXP 0.8834
791 JRB 0.8833
792 1DW 0.8833
793 AX3 0.8832
794 JND 0.8832
795 TSR 0.8831
796 9DA 0.8830
797 MPV 0.8829
798 PCA 0.8828
799 URF 0.8828
800 PD2 0.8828
801 PEZ 0.8827
802 7MX 0.8826
803 SD4 0.8825
804 2IT 0.8825
805 P92 0.8825
806 B57 0.8824
807 7VP 0.8824
808 SOR 0.8823
809 S0E 0.8823
810 LAO 0.8823
811 7WA 0.8822
812 4BY 0.8822
813 2BX 0.8821
814 32X 0.8820
815 NQ 0.8819
816 261 0.8819
817 INE 0.8819
818 LZ2 0.8818
819 3MG 0.8817
820 2HG 0.8817
821 BP1 0.8817
822 ASN 0.8817
823 MO8 0.8815
824 EMZ 0.8813
825 9HX 0.8813
826 PJW 0.8813
827 DGL 0.8812
828 141 0.8812
829 M1Q 0.8812
830 APZ 0.8811
831 PEA 0.8811
832 258 0.8810
833 AH8 0.8809
834 PPY 0.8808
835 AJY 0.8808
836 PEY 0.8808
837 IGA 0.8806
838 5NE 0.8806
839 1KP 0.8805
840 XYP 0.8805
841 DEN 0.8805
842 ZZT 0.8803
843 KJ5 0.8802
844 2GS 0.8801
845 MCT 0.8801
846 OK7 0.8800
847 1PT 0.8800
848 CRN 0.8799
849 9KH 0.8799
850 GRE 0.8799
851 H8N 0.8799
852 0BP 0.8798
853 6KT 0.8798
854 NID 0.8797
855 XXP 0.8797
856 1LN 0.8797
857 3DM 0.8797
858 LXC 0.8797
859 TZE 0.8796
860 MBG 0.8794
861 BNL 0.8794
862 SKF 0.8793
863 5JL 0.8792
864 JZ9 0.8792
865 KDF 0.8791
866 ICF 0.8791
867 5WY 0.8791
868 2AK 0.8790
869 A2F 0.8789
870 KTJ 0.8789
871 6AP 0.8788
872 BNT 0.8788
873 1MC 0.8786
874 HA7 0.8786
875 L14 0.8785
876 KDV 0.8785
877 TDR 0.8784
878 LSA 0.8784
879 MVN 0.8783
880 NHG 0.8782
881 MAN 0.8781
882 HKD 0.8780
883 TH0 0.8780
884 DHQ 0.8780
885 TT4 0.8780
886 EN1 0.8780
887 GZQ 0.8779
888 NYL 0.8779
889 94W 0.8779
890 091 0.8778
891 3W8 0.8777
892 TYE 0.8777
893 FRU 0.8776
894 RXA 0.8776
895 DNC 0.8776
896 LZ1 0.8774
897 GCO 0.8774
898 SG2 0.8773
899 4NB 0.8773
900 4NZ 0.8772
901 PZM 0.8771
902 HNL 0.8771
903 WBU 0.8771
904 PGA 0.8771
905 46P 0.8770
906 4A5 0.8770
907 LEU 0.8770
908 R9Y 0.8770
909 DRL 0.8769
910 SNO 0.8769
911 BSX 0.8768
912 MT0 0.8767
913 6XI 0.8766
914 IPM 0.8764
915 FUD 0.8764
916 XBZ 0.8764
917 CFA 0.8764
918 YH7 0.8763
919 QBM 0.8763
920 KYA 0.8763
921 5UC 0.8762
922 BNF 0.8762
923 P9E 0.8762
924 0FK 0.8761
925 NF3 0.8761
926 AN3 0.8760
927 HH5 0.8759
928 C2A 0.8759
929 M3H 0.8758
930 4HO 0.8757
931 BOA 0.8757
932 PKU 0.8757
933 8HC 0.8756
934 IND 0.8756
935 PM6 0.8755
936 PYQ 0.8755
937 209 0.8755
938 3ZB 0.8755
939 7MK 0.8753
940 SLC 0.8752
941 CFP 0.8750
942 34A 0.8750
943 EV0 0.8749
944 DFB 0.8748
945 290 0.8748
946 2MP 0.8748
947 GIF 0.8747
948 2ZV 0.8747
949 BPY 0.8746
950 F4K 0.8746
951 JF6 0.8745
952 463 0.8745
953 SHG 0.8745
954 4RU 0.8745
955 PRF 0.8744
956 42A 0.8744
957 GV9 0.8744
958 AGK 0.8743
959 J6W 0.8743
960 BZI 0.8742
961 3WA 0.8742
962 LRH 0.8741
963 BZJ 0.8741
964 6R8 0.8740
965 BCP 0.8740
966 DX4 0.8740
967 F12 0.8739
968 PH3 0.8739
969 3QV 0.8739
970 HX4 0.8739
971 4ZE 0.8738
972 43M 0.8738
973 M45 0.8738
974 LZM 0.8738
975 0R1 0.8738
976 2AC 0.8737
977 PC 0.8737
978 I4B 0.8736
979 XYD 0.8736
980 MPI 0.8735
981 QPR 0.8735
982 MWM 0.8734
983 6GU 0.8733
984 4JE 0.8733
985 PHH 0.8733
986 495 0.8731
987 2CL 0.8731
988 BZF 0.8730
989 1XM 0.8729
990 535 0.8729
991 1A7 0.8728
992 3R6 0.8728
993 A1U 0.8727
994 61M 0.8727
995 E35 0.8726
996 37T 0.8726
997 1XN 0.8725
998 FHC 0.8725
999 FA6 0.8724
1000 PYD 0.8724
1001 BMA 0.8724
1002 OXQ 0.8724
1003 ES4 0.8722
1004 B53 0.8721
1005 PH2 0.8721
1006 ZYX 0.8720
1007 9KT 0.8720
1008 0CU 0.8720
1009 GJP 0.8719
1010 2YU 0.8719
1011 K17 0.8718
1012 DIE 0.8718
1013 M1Z 0.8718
1014 AMC 0.8718
1015 271 0.8717
1016 5MH 0.8717
1017 JKZ 0.8717
1018 1AL 0.8716
1019 PMF 0.8715
1020 PEL 0.8714
1021 PQ0 0.8714
1022 2ZQ 0.8714
1023 AVI 0.8713
1024 GVH 0.8712
1025 4PN 0.8711
1026 505 0.8711
1027 AES 0.8710
1028 6DP 0.8710
1029 27B 0.8710
1030 IDM 0.8709
1031 4V2 0.8709
1032 0CT 0.8709
1033 AM4 0.8709
1034 4JJ 0.8708
1035 G6D 0.8708
1036 LI6 0.8707
1037 TM7 0.8707
1038 APS 0.8707
1039 AZF 0.8707
1040 8W9 0.8707
1041 4TU 0.8707
1042 2TQ 0.8706
1043 A9P 0.8706
1044 7D2 0.8705
1045 QMR 0.8704
1046 FUL 0.8703
1047 GAG 0.8703
1048 HZQ 0.8702
1049 A5E 0.8702
1050 CFF 0.8702
1051 AS3 0.8700
1052 RNO 0.8700
1053 1U6 0.8700
1054 HT4 0.8698
1055 IUR 0.8697
1056 SC2 0.8697
1057 IPZ 0.8697
1058 MZG 0.8697
1059 2CQ 0.8696
1060 CLZ 0.8695
1061 4JM 0.8693
1062 8NB 0.8692
1063 PXM 0.8691
1064 FPY 0.8691
1065 JZ2 0.8691
1066 XUL 0.8690
1067 XBT 0.8689
1068 1HN 0.8688
1069 Q71 0.8688
1070 NCD 0.8688
1071 R8S 0.8687
1072 25W 0.8687
1073 F69 0.8685
1074 4BL 0.8684
1075 8IG 0.8682
1076 PFB 0.8682
1077 P84 0.8681
1078 QBK 0.8679
1079 IDH 0.8677
1080 4ZC 0.8677
1081 BTE 0.8676
1082 4CL 0.8676
1083 264 0.8676
1084 S76 0.8676
1085 GIO 0.8676
1086 OKG 0.8675
1087 2D3 0.8673
1088 IT2 0.8673
1089 ZBT 0.8671
1090 LTL 0.8669
1091 RJY 0.8669
1092 95Z 0.8669
1093 QWN 0.8669
1094 HHR 0.8668
1095 2CZ 0.8667
1096 2AS 0.8667
1097 PFL 0.8667
1098 54Z 0.8666
1099 CIT 0.8664
1100 F81 0.8663
1101 1Z6 0.8663
1102 HNQ 0.8662
1103 GBD 0.8662
1104 8G0 0.8660
1105 BR9 0.8659
1106 1WG 0.8658
1107 JXN 0.8658
1108 RIP 0.8657
1109 JZ4 0.8657
1110 B60 0.8655
1111 0R0 0.8654
1112 TLD 0.8653
1113 150 0.8653
1114 O2A 0.8652
1115 57O 0.8651
1116 SIF 0.8649
1117 2K8 0.8648
1118 PRO 0.8647
1119 4JO 0.8647
1120 H33 0.8646
1121 DFU 0.8646
1122 5AC 0.8646
1123 MAQ 0.8645
1124 6VD 0.8645
1125 MZB 0.8642
1126 P3K 0.8641
1127 GZ2 0.8641
1128 NDG 0.8640
1129 B09 0.8639
1130 PYF 0.8639
1131 XQG 0.8637
1132 SME 0.8637
1133 FLC 0.8637
1134 JA8 0.8635
1135 5JC 0.8635
1136 HBX 0.8634
1137 GCV 0.8633
1138 AIN 0.8633
1139 7ZE 0.8633
1140 KMH 0.8631
1141 JBQ 0.8630
1142 RSF 0.8629
1143 A7N 0.8628
1144 PRA 0.8625
1145 ABN 0.8624
1146 TZM 0.8622
1147 2A7 0.8621
1148 SLS 0.8620
1149 27Y 0.8618
1150 TBS 0.8617
1151 0XT 0.8617
1152 4CM 0.8616
1153 C21 0.8616
1154 5WU 0.8615
1155 EQT 0.8612
1156 FUC 0.8609
1157 SDD 0.8606
1158 0MK 0.8605
1159 30G 0.8605
1160 344 0.8603
1161 SXS 0.8602
1162 K32 0.8602
1163 60P 0.8601
1164 JIF 0.8601
1165 UAN 0.8600
1166 RAM 0.8598
1167 ILE 0.8591
1168 QBS 0.8590
1169 8XQ 0.8589
1170 LDU 0.8587
1171 QXW 0.8587
1172 NK 0.8582
1173 28N 0.8580
1174 AMG 0.8579
1175 1X7 0.8578
1176 NTZ 0.8577
1177 ORN 0.8575
1178 HNH 0.8574
1179 TC7 0.8571
1180 XYS 0.8569
1181 X0U 0.8569
1182 SYN 0.8569
1183 45C 0.8568
1184 NK1 0.8568
1185 F4Z 0.8567
1186 XRG 0.8559
1187 LKA 0.8557
1188 7MH 0.8555
1189 6QF 0.8548
1190 7B3 0.8547
1191 G12 0.8546
1192 PPT 0.8545
1193 B5D 0.8545
1194 XDK 0.8544
1195 XQK 0.8543
1196 7CT 0.8543
1197 GPF 0.8541
1198 NDM 0.8540
1199 ZZ3 0.8540
1200 20J 0.8537
1201 49O 0.8536
1202 E3D 0.8513
Ligand no: 2; Ligand: TZP; Similar ligands found: 367
No: Ligand Similarity coefficient
1 1PS 0.9716
2 JFM 0.9513
3 KPA 0.9454
4 LVD 0.9363
5 M3L 0.9362
6 5OY 0.9362
7 5LD 0.9349
8 XRS 0.9344
9 F98 0.9327
10 MF3 0.9294
11 MLY 0.9293
12 2JJ 0.9261
13 ABF 0.9253
14 AHN 0.9239
15 4TB 0.9201
16 6HN 0.9199
17 ENW 0.9186
18 PPY 0.9181
19 A5P 0.9166
20 EVF 0.9161
21 5DL 0.9155
22 S2C 0.9154
23 HCI 0.9147
24 S7A 0.9146
25 TZM 0.9136
26 6J5 0.9135
27 3GZ 0.9135
28 DHC 0.9134
29 FOM 0.9134
30 37E 0.9117
31 61M 0.9117
32 PHE 0.9115
33 GO2 0.9109
34 E4P 0.9108
35 4ZD 0.9105
36 MD6 0.9103
37 SB7 0.9095
38 2FM 0.9092
39 ARG 0.9090
40 Q04 0.9090
41 TOH 0.9088
42 RP5 0.9087
43 OOG 0.9079
44 AZM 0.9075
45 PBN 0.9074
46 RP3 0.9070
47 GRF 0.9065
48 Q06 0.9048
49 4TP 0.9040
50 DER 0.9039
51 SKF 0.9034
52 N9J 0.9032
53 PLP 0.9031
54 SG3 0.9031
55 DHH 0.9030
56 NPI 0.9030
57 M6H 0.9028
58 J0Z 0.9023
59 QFJ 0.9023
60 DEZ 0.9021
61 LX1 0.9020
62 GGB 0.9020
63 M5E 0.9019
64 3H2 0.9017
65 848 0.9015
66 P81 0.9013
67 UN1 0.9012
68 SB9 0.9010
69 TU0 0.9007
70 DX5 0.9007
71 5WN 0.9006
72 API 0.9005
73 5RP 0.9004
74 HFA 0.9003
75 XRX 0.9003
76 Q9Z 0.9002
77 P58 0.9002
78 MES 0.9000
79 1L5 0.8995
80 11C 0.8991
81 TB8 0.8987
82 HC4 0.8985
83 DPN 0.8983
84 HSX 0.8983
85 N2M 0.8983
86 PLR 0.8982
87 JX7 0.8982
88 8U3 0.8981
89 MP5 0.8979
90 ZEC 0.8978
91 3QO 0.8971
92 MJW 0.8968
93 ENV 0.8967
94 2VQ 0.8965
95 NNH 0.8963
96 5PV 0.8961
97 HPP 0.8960
98 ENO 0.8957
99 IAR 0.8957
100 M3P 0.8954
101 2FX 0.8953
102 SYE 0.8952
103 1VQ 0.8950
104 DHM 0.8949
105 TCA 0.8947
106 CXP 0.8945
107 4LV 0.8945
108 ILO 0.8941
109 KPC 0.8941
110 CIR 0.8939
111 LSQ 0.8938
112 PBA 0.8938
113 QIV 0.8936
114 YOF 0.8934
115 3PG 0.8934
116 HNL 0.8933
117 KYN 0.8930
118 DTY 0.8925
119 PLP PMP 0.8922
120 5OO 0.8919
121 LUQ 0.8918
122 TYR 0.8913
123 BG6 0.8911
124 AOY 0.8910
125 R2P 0.8910
126 PMP 0.8908
127 2NP 0.8908
128 3IP 0.8902
129 R5P 0.8902
130 6Q3 0.8901
131 RES 0.8901
132 S7G 0.8900
133 S2P 0.8898
134 QH3 0.8898
135 PCS 0.8897
136 XCG 0.8897
137 11X 0.8895
138 EYV 0.8894
139 S8G 0.8894
140 EQA 0.8893
141 F1P 0.8892
142 LYS 0.8891
143 TX4 0.8890
144 NFA 0.8889
145 XI7 0.8887
146 HL4 0.8886
147 1YO 0.8885
148 C0H 0.8884
149 EN1 0.8884
150 5SP 0.8883
151 DXP 0.8882
152 3YP 0.8881
153 D9Z 0.8880
154 A51 0.8877
155 XIZ 0.8875
156 6CL 0.8875
157 F06 0.8873
158 LL2 0.8872
159 AOT 0.8872
160 33S 0.8872
161 26P 0.8869
162 P80 0.8866
163 KLS 0.8865
164 STT 0.8865
165 F90 0.8864
166 G6P 0.8864
167 0A9 0.8863
168 GO8 0.8862
169 M6P 0.8860
170 7C3 0.8855
171 DAR 0.8853
172 RGP 0.8849
173 GZ2 0.8847
174 FER 0.8844
175 TOM 0.8841
176 2UB 0.8841
177 3VW 0.8838
178 TMG 0.8838
179 AHC 0.8838
180 HF2 0.8837
181 4LW 0.8837
182 S8V 0.8837
183 DA3 0.8836
184 PRO GLY 0.8832
185 PPT 0.8831
186 IP8 0.8830
187 OJD 0.8827
188 DAH 0.8827
189 YZM 0.8826
190 HNK 0.8824
191 HMS 0.8824
192 GRQ 0.8824
193 WT2 0.8821
194 P7Y 0.8821
195 YIP 0.8819
196 HSA 0.8815
197 JPQ 0.8813
198 7OD 0.8811
199 S0W 0.8809
200 DI6 0.8809
201 2MR 0.8806
202 9BF 0.8803
203 1HS 0.8801
204 2HC 0.8800
205 I2E 0.8797
206 EXY 0.8791
207 AT3 0.8791
208 ATX 0.8790
209 GNW 0.8789
210 DXG 0.8787
211 ALE 0.8787
212 BGP 0.8783
213 1X4 0.8783
214 GAE 0.8778
215 PXP 0.8774
216 IOP 0.8772
217 PNP 0.8765
218 GVA 0.8765
219 58X 0.8765
220 PO6 0.8765
221 D6G 0.8761
222 C82 0.8760
223 PC 0.8760
224 650 0.8759
225 PUE 0.8758
226 EGV 0.8757
227 4FP 0.8753
228 GJK 0.8751
229 TYC 0.8751
230 MMS 0.8748
231 GB4 0.8748
232 SZ7 0.8744
233 C53 0.8744
234 LZ5 0.8744
235 HXY 0.8742
236 ZZU 0.8742
237 FK8 0.8741
238 0L1 0.8738
239 IYR 0.8737
240 PRA 0.8737
241 GLR 0.8737
242 6C5 0.8737
243 J4K 0.8735
244 4XF 0.8735
245 G14 0.8732
246 LPB 0.8732
247 HAR 0.8732
248 PA5 0.8730
249 6C9 0.8730
250 JOV 0.8726
251 DHI 0.8725
252 9GB 0.8724
253 6MW 0.8723
254 R10 0.8723
255 TYE 0.8722
256 3VX 0.8721
257 T03 0.8720
258 NMM 0.8720
259 4R1 0.8720
260 DZA 0.8719
261 BVA 0.8717
262 TRP 0.8715
263 GB5 0.8714
264 5TO 0.8713
265 S7D 0.8712
266 6FG 0.8710
267 3LJ 0.8710
268 ZZA 0.8708
269 N7I 0.8707
270 EQW 0.8707
271 6XA 0.8707
272 6C8 0.8705
273 GPJ 0.8702
274 4NS 0.8701
275 HHI 0.8700
276 F18 0.8696
277 64Z 0.8693
278 KDG 0.8693
279 4BX 0.8692
280 KPV 0.8691
281 LGT 0.8691
282 PML 0.8691
283 9JT 0.8689
284 3XH 0.8687
285 FZM 0.8687
286 J9Y 0.8685
287 MPP 0.8685
288 HJD 0.8684
289 3VQ 0.8684
290 YE6 0.8683
291 7O4 0.8683
292 6ZX 0.8681
293 54F 0.8681
294 TA6 0.8679
295 ODK 0.8677
296 ZIP 0.8676
297 MRU 0.8675
298 XQI 0.8674
299 TEG 0.8673
300 N91 0.8672
301 2LT 0.8669
302 E8U 0.8668
303 YIE 0.8667
304 N2Y 0.8666
305 14W 0.8664
306 SOJ 0.8661
307 H35 0.8661
308 DIR 0.8660
309 M6D 0.8658
310 JMG 0.8656
311 36M 0.8655
312 6L6 0.8655
313 BSA 0.8653
314 URO 0.8652
315 SX2 0.8651
316 B41 0.8649
317 263 0.8648
318 KLE 0.8647
319 68B 0.8642
320 HGA 0.8640
321 FCD 0.8637
322 4Z9 0.8635
323 GXD 0.8634
324 GPF 0.8632
325 5KJ 0.8630
326 YIH 0.8629
327 NFZ 0.8627
328 N4B 0.8627
329 GLP 0.8626
330 7R4 0.8624
331 ONH 0.8624
332 7ZL 0.8623
333 CFA 0.8618
334 F6P 0.8618
335 HHV 0.8616
336 NOT 0.8610
337 RQD 0.8607
338 4FE 0.8607
339 7UC 0.8605
340 DTR 0.8603
341 PAU 0.8603
342 CBE 0.8602
343 ERZ 0.8602
344 YPN 0.8601
345 RE4 0.8600
346 2M7 0.8598
347 L21 0.8598
348 LR2 0.8596
349 A5H 0.8595
350 HRG 0.8594
351 CCD 0.8593
352 5WK 0.8587
353 FHV 0.8579
354 XDE 0.8578
355 3D8 0.8574
356 HE8 0.8571
357 6HP 0.8569
358 B21 0.8556
359 ZYQ 0.8555
360 5DS 0.8551
361 0NX 0.8545
362 HPT 0.8532
363 P93 0.8529
364 268 0.8526
365 HG3 0.8524
366 RA7 0.8518
367 ZEA 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2TPS; Ligand: TPS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2tps.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3QH2 3NM 38.914
Pocket No.: 2; Query (leader) PDB : 2TPS; Ligand: TPS; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 2tps.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3QH2 3NM 38.914
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