Receptor
PDB id Resolution Class Description Source Keywords
5KTP 1.54 Å EC: 2.5.1.72 CRYSTAL STRUCTURE OF PYROCOCCUS HORIKOSHII QUINOLINATE SYNTH WITH BOUND ITACONATE AND FE4S4 CLUSTER PYROCOCCUS HORIKOSHII (STRAIN ATCC 70012428 / JCM 9974 / NBRC 100139 / OT-3) DEHYDRATASE IRON-SULFUR CLUSTER SUBSTRATE ANALOG COMPLEX BIOSYNTHETIC ENZYME TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE IRON-SULFUR CLUSTER-DEPEN QUINOLINATE SYNTHASE IN COMPLEX WITH DIHYDROXYACETO PHOSPHATE, IMINOASPARTATE ANALOGUES, AND QUINOLINAT BIOCHEMISTRY V. 55 4135 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SF4 A:401;
 Part of Protein;
 none;
 submit data
351.64 Fe4 S4 [S]12...
ITN A:403;
 Valid;
 none;
 submit data
130.099 C5 H6 O4 C=C(C...
NH4 A:404;
 Invalid;
 none;
 submit data
18.038 H4 N [NH4+...
CL A:402;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KTN 1.34 Å EC: 2.5.1.72 CRYSTAL STRUCTURE OF PYROCOCCUS HORIKOSHII QUINOLINATE SYNTH WITH BOUND DIHYDROXYACETONE PHOSPHATE (DHAP) AND FE4S4 CLUS PYROCOCCUS HORIKOSHII (STRAIN ATCC 70012428 / JCM 9974 / NBRC 100139 / OT-3) DEHYDRATASE IRON-SULFUR CLUSTER SUBSTRATE COMPLEX BIOSYNTENZYME TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE IRON-SULFUR CLUSTER-DEPEN QUINOLINATE SYNTHASE IN COMPLEX WITH DIHYDROXYACETO PHOSPHATE, IMINOASPARTATE ANALOGUES, AND QUINOLINAT BIOCHEMISTRY V. 55 4135 2016
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5KTS - CIZ C5 H6 O4 C/C(=C/C(=....
2 6OR8 - 5XR C7 H11 N O7 C(C=O)[C@@....
3 5KTR - MAE C4 H4 O4 C(=C/C(=O)....
4 6NSU - DYA C4 H5 N O4 C(=C(/C(=O....
5 6NSO - 13P C3 H7 O6 P C(C(=O)COP....
6 5KTP - ITN C5 H6 O4 C=C(CC(=O)....
7 1WZU - MLT C4 H6 O5 C([C@H](C(....
8 5KTO - NTM C7 H5 N O4 c1cc(c(nc1....
9 6ORA - 5XR C7 H11 N O7 C(C=O)[C@@....
10 5KTN - 13P C3 H7 O6 P C(C(=O)COP....
11 4ZK6 - NTM C7 H5 N O4 c1cc(c(nc1....
12 5KTT - LMR C4 H6 O5 C([C@@H](C....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5KTS - CIZ C5 H6 O4 C/C(=C/C(=....
2 6OR8 - 5XR C7 H11 N O7 C(C=O)[C@@....
3 5KTR - MAE C4 H4 O4 C(=C/C(=O)....
4 6NSU - DYA C4 H5 N O4 C(=C(/C(=O....
5 6NSO - 13P C3 H7 O6 P C(C(=O)COP....
6 5KTP - ITN C5 H6 O4 C=C(CC(=O)....
7 1WZU - MLT C4 H6 O5 C([C@H](C(....
8 5KTO - NTM C7 H5 N O4 c1cc(c(nc1....
9 6ORA - 5XR C7 H11 N O7 C(C=O)[C@@....
10 5KTN - 13P C3 H7 O6 P C(C(=O)COP....
11 4ZK6 - NTM C7 H5 N O4 c1cc(c(nc1....
12 5KTT - LMR C4 H6 O5 C([C@@H](C....
13 5F3D - 5UK C7 H9 N O6 [H]/N=C([C....
14 6I0P - QAS C7 H5 N O4 S c1cc(nc(c1....
15 5F33 - PGH C2 H6 N O6 P C(C(=O)NO)....
16 6F48 - XQB C7 H9 N O6 [H]/N=C(/[....
17 5LQS - NTM C7 H5 N O4 c1cc(c(nc1....
18 6F4L - NTM C7 H5 N O4 c1cc(c(nc1....
19 5F35 - FLC C6 H5 O7 C(C(=O)[O-....
20 6G74 - PHT C8 H6 O4 c1ccc(c(c1....
21 6I0K - GZ8 C8 H6 O4 S C1=CC(=S)C....
22 5LQM - FLC C6 H5 O7 C(C(=O)[O-....
23 6I0R - QAT C7 H5 N O4 S C1C(=S)C=N....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5KTS - CIZ C5 H6 O4 C/C(=C/C(=....
2 6OR8 - 5XR C7 H11 N O7 C(C=O)[C@@....
3 5KTR - MAE C4 H4 O4 C(=C/C(=O)....
4 6NSU - DYA C4 H5 N O4 C(=C(/C(=O....
5 6NSO - 13P C3 H7 O6 P C(C(=O)COP....
6 5KTP - ITN C5 H6 O4 C=C(CC(=O)....
7 1WZU - MLT C4 H6 O5 C([C@H](C(....
8 5KTO - NTM C7 H5 N O4 c1cc(c(nc1....
9 6ORA - 5XR C7 H11 N O7 C(C=O)[C@@....
10 5KTN - 13P C3 H7 O6 P C(C(=O)COP....
11 4ZK6 - NTM C7 H5 N O4 c1cc(c(nc1....
12 5KTT - LMR C4 H6 O5 C([C@@H](C....
13 5F3D - 5UK C7 H9 N O6 [H]/N=C([C....
14 6I0P - QAS C7 H5 N O4 S c1cc(nc(c1....
15 5F33 - PGH C2 H6 N O6 P C(C(=O)NO)....
16 6F48 - XQB C7 H9 N O6 [H]/N=C(/[....
17 5LQS - NTM C7 H5 N O4 c1cc(c(nc1....
18 6F4L - NTM C7 H5 N O4 c1cc(c(nc1....
19 5F35 - FLC C6 H5 O7 C(C(=O)[O-....
20 6G74 - PHT C8 H6 O4 c1ccc(c(c1....
21 6I0K - GZ8 C8 H6 O4 S C1=CC(=S)C....
22 5LQM - FLC C6 H5 O7 C(C(=O)[O-....
23 6I0R - QAT C7 H5 N O4 S C1C(=S)C=N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ITN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ITN 1 1
2 6JN 0.409091 0.608696
Similar Ligands (3D)
Ligand no: 1; Ligand: ITN; Similar ligands found: 862
No: Ligand Similarity coefficient
1 ASN 0.9966
2 OAA 0.9914
3 MLT 0.9892
4 CIZ 0.9877
5 CRN 0.9872
6 ASP 0.9851
7 IOM 0.9827
8 DAS 0.9816
9 LMR 0.9780
10 UGC 0.9735
11 COI 0.9697
12 LEU 0.9677
13 SIN 0.9673
14 TLA 0.9672
15 FUM 0.9656
16 40E 0.9652
17 AHB 0.9648
18 TEO 0.9636
19 SRT 0.9607
20 HDA 0.9568
21 AL0 0.9561
22 NXA 0.9559
23 98J 0.9559
24 MAE 0.9552
25 PRO 0.9541
26 69O 0.9534
27 MRZ 0.9528
28 HSE 0.9519
29 SPA 0.9514
30 PCA 0.9511
31 THR 0.9508
32 PEP 0.9507
33 CMS 0.9503
34 SHF 0.9496
35 9X7 0.9470
36 TAR 0.9470
37 VAL 0.9466
38 GBD 0.9462
39 HY3 0.9460
40 AC5 0.9452
41 IQ0 0.9450
42 7N0 0.9440
43 GLU 0.9438
44 4MV 0.9426
45 OXQ 0.9422
46 NVA 0.9421
47 HIO 0.9419
48 URP 0.9417
49 6PC 0.9416
50 HYP 0.9414
51 HZP 0.9399
52 SPV 0.9399
53 URQ 0.9398
54 GAG 0.9395
55 R67 0.9395
56 DGL 0.9391
57 H95 0.9388
58 2AS 0.9385
59 YCP 0.9385
60 ICF 0.9368
61 OEM 0.9356
62 TFB 0.9352
63 T2C 0.9351
64 IHG 0.9351
65 ORN 0.9350
66 DCL 0.9346
67 51F 0.9338
68 NMG 0.9334
69 SS2 0.9324
70 5AC 0.9322
71 0V5 0.9322
72 BEN 0.9321
73 DXX 0.9320
74 BEZ 0.9319
75 JYD 0.9318
76 THE 0.9317
77 NIO 0.9314
78 9X6 0.9310
79 3SL 0.9307
80 EHM 0.9307
81 DPR 0.9303
82 2PC 0.9303
83 BAM 0.9296
84 CSS 0.9295
85 SC2 0.9295
86 ILE 0.9295
87 AKG 0.9294
88 MAK 0.9290
89 HCS 0.9289
90 3V4 0.9289
91 DAB 0.9287
92 PPR 0.9284
93 BHO 0.9283
94 2CO 0.9280
95 HBX 0.9274
96 FLA 0.9274
97 2IT 0.9267
98 3OC 0.9266
99 PZA 0.9264
100 GLN 0.9262
101 MLE 0.9262
102 AKB 0.9257
103 OKG 0.9255
104 GZ3 0.9254
105 MET 0.9253
106 BNS 0.9252
107 PZI 0.9252
108 KIV 0.9251
109 192 0.9250
110 URF 0.9246
111 TZE 0.9245
112 NCA 0.9244
113 13P 0.9243
114 2MH 0.9241
115 HIS 0.9236
116 URA 0.9233
117 SJ5 0.9232
118 RSO 0.9230
119 PAC 0.9229
120 8EZ 0.9223
121 O7U 0.9222
122 GJZ 0.9220
123 SKG 0.9216
124 1AB 0.9215
125 NPO 0.9213
126 NBZ 0.9212
127 MUC 0.9210
128 ABN 0.9208
129 R2B 0.9207
130 VAH 0.9200
131 JBN 0.9200
132 PAF 0.9199
133 273 0.9199
134 PAE 0.9189
135 PMB 0.9186
136 HBA 0.9186
137 SER 0.9186
138 ISZ 0.9182
139 PRS 0.9176
140 ABU 0.9176
141 PEQ 0.9175
142 SYN 0.9174
143 ALO 0.9173
144 WBU 0.9171
145 60P 0.9170
146 285 0.9170
147 2RH 0.9170
148 IZC 0.9169
149 XLS 0.9168
150 1DQ 0.9167
151 R1X 0.9167
152 PBC 0.9166
153 UY7 0.9166
154 4JU 0.9165
155 TB6 0.9164
156 FUF 0.9163
157 PBE 0.9163
158 KMT 0.9163
159 AUD 0.9161
160 ACH 0.9161
161 DSN 0.9160
162 HPY 0.9160
163 282 0.9160
164 SS1 0.9159
165 APY 0.9159
166 AMC 0.9158
167 PYC 0.9157
168 9YL 0.9155
169 PGA 0.9155
170 ARB 0.9154
171 GUA 0.9153
172 UNU 0.9152
173 SAT 0.9151
174 MLI 0.9151
175 MED 0.9149
176 TZC 0.9148
177 7WG 0.9146
178 S2G 0.9144
179 HSM 0.9144
180 1LN 0.9143
181 XYL 0.9141
182 CXF 0.9141
183 H3M 0.9141
184 9RW 0.9140
185 RSF 0.9139
186 IXW 0.9136
187 QSC 0.9134
188 2DR 0.9130
189 4CS 0.9128
190 DMV 0.9126
191 QY9 0.9125
192 GLL 0.9125
193 SMN 0.9121
194 3PY 0.9119
195 4VP 0.9119
196 6HQ 0.9119
197 OK7 0.9118
198 UYA 0.9118
199 NBE 0.9117
200 BE2 0.9114
201 LNO 0.9112
202 PLU 0.9110
203 PYF 0.9110
204 26D 0.9109
205 MLA 0.9108
206 PG3 0.9108
207 FPI 0.9107
208 WTZ 0.9105
209 M58 0.9105
210 TZL 0.9104
211 2XX 0.9104
212 HL5 0.9104
213 GIF 0.9103
214 9TY 0.9100
215 M6W 0.9100
216 HX2 0.9099
217 SSN 0.9099
218 3U4 0.9097
219 AC0 0.9093
220 N8P 0.9093
221 FP1 0.9091
222 2PG 0.9090
223 SAL 0.9090
224 ES6 0.9090
225 AGK 0.9090
226 8EW 0.9088
227 CP 0.9087
228 0MK 0.9083
229 PAH 0.9083
230 7A8 0.9082
231 JZ5 0.9082
232 PY7 0.9079
233 1P3 0.9079
234 NMJ 0.9077
235 IP0 0.9074
236 PHB 0.9072
237 ECE 0.9072
238 DUC 0.9072
239 RIP 0.9072
240 3S5 0.9071
241 JZ7 0.9071
242 MRY 0.9071
243 3LR 0.9070
244 G2H 0.9067
245 PYJ 0.9066
246 FPY 0.9065
247 1MR 0.9063
248 PIS 0.9062
249 4SV 0.9061
250 23W 0.9061
251 XUL 0.9059
252 OXZ 0.9059
253 CRS 0.9058
254 ROR 0.9058
255 A3B 0.9057
256 34V 0.9056
257 PRI 0.9056
258 2HG 0.9055
259 3SK 0.9054
260 TDR 0.9054
261 IFM 0.9054
262 FB2 0.9054
263 2FT 0.9053
264 PHU 0.9053
265 GLY ALA 0.9052
266 B24 0.9049
267 RCO 0.9048
268 SNE 0.9046
269 DFU 0.9046
270 RIB 0.9045
271 IT2 0.9045
272 4ZE 0.9044
273 LDU 0.9043
274 GG6 0.9043
275 280 0.9042
276 1SP 0.9040
277 DGY 0.9036
278 PPV 0.9035
279 MCT 0.9033
280 TPA 0.9033
281 MWM 0.9029
282 FOA 0.9029
283 R9S 0.9029
284 FQI 0.9028
285 JZ3 0.9028
286 BML 0.9027
287 2AC 0.9026
288 QOS 0.9026
289 QFH 0.9025
290 23B 0.9025
291 HTX 0.9024
292 DGJ 0.9023
293 1MC 0.9023
294 KYD 0.9022
295 IVA 0.9021
296 BP9 0.9021
297 AHR 0.9020
298 GVH 0.9020
299 RBL 0.9019
300 AZF 0.9017
301 2AL 0.9017
302 XYS 0.9016
303 2TQ 0.9015
304 14J 0.9012
305 S0H 0.9012
306 KOJ 0.9011
307 3CH 0.9010
308 HYA 0.9010
309 VGL 0.9009
310 1DU 0.9009
311 NIZ 0.9008
312 NVI 0.9006
313 4CH 0.9006
314 CEJ 0.9005
315 CFI 0.9005
316 2KT 0.9004
317 GRO 0.9003
318 NTN 0.9003
319 HY1 0.9003
320 A1U 0.9002
321 FSG 0.9001
322 URS 0.9001
323 LZ1 0.9000
324 8OZ 0.8999
325 271 0.8998
326 IND 0.8997
327 3PG 0.8997
328 CYT 0.8996
329 CYS 0.8996
330 RUU 0.8995
331 EDG 0.8995
332 OHG 0.8995
333 1AC 0.8994
334 1WD 0.8993
335 IDM 0.8993
336 XBZ 0.8991
337 SD4 0.8991
338 03W 0.8990
339 BVF 0.8990
340 FEH 0.8990
341 7HP 0.8989
342 7VD 0.8988
343 VNJ 0.8988
344 2RA 0.8988
345 DHS 0.8988
346 GAF 0.8988
347 DBB 0.8988
348 LG3 0.8986
349 IMR 0.8986
350 Z82 0.8984
351 FW5 0.8984
352 LG5 0.8984
353 5UC 0.8984
354 HUI 0.8983
355 MPI 0.8982
356 FAN 0.8980
357 CAQ 0.8977
358 BZI 0.8977
359 MLM 0.8976
360 4HO 0.8975
361 VKC 0.8975
362 4JP 0.8975
363 LER 0.8975
364 HSO 0.8974
365 ASC 0.8974
366 FB1 0.8973
367 MXN 0.8973
368 FUC 0.8972
369 2MP 0.8971
370 3HL 0.8970
371 PEL 0.8970
372 JKE 0.8970
373 SMB 0.8970
374 0R1 0.8968
375 TH0 0.8968
376 AG2 0.8967
377 40O 0.8967
378 1PT 0.8966
379 FPK 0.8966
380 FBV 0.8965
381 C2N 0.8965
382 X1S 0.8963
383 3PP 0.8963
384 RHU 0.8963
385 BAE 0.8962
386 34A 0.8962
387 XYD 0.8962
388 XBT 0.8961
389 HPA 0.8959
390 QDK 0.8958
391 XM0 0.8957
392 DEN 0.8957
393 53C 0.8956
394 0CT 0.8956
395 TM7 0.8956
396 IDH 0.8956
397 NLE 0.8956
398 TP5 0.8954
399 Z6J 0.8954
400 HT4 0.8954
401 275 0.8954
402 ICC 0.8954
403 IF7 0.8952
404 BZX 0.8952
405 XYP 0.8951
406 ISD 0.8951
407 278 0.8950
408 XSP 0.8950
409 39J 0.8949
410 DBH 0.8948
411 FCN 0.8947
412 2YU 0.8947
413 RMN 0.8946
414 10L 0.8945
415 I1E 0.8945
416 8GF 0.8944
417 9CL 0.8944
418 DCY 0.8943
419 3F0 0.8943
420 PCT 0.8941
421 HIU 0.8941
422 JZ9 0.8941
423 R8A 0.8940
424 1DV 0.8940
425 3HA 0.8938
426 261 0.8937
427 DFB 0.8937
428 ZBT 0.8936
429 NK 0.8936
430 C2A 0.8935
431 AC6 0.8934
432 0R0 0.8934
433 9J3 0.8934
434 FUL 0.8933
435 BVC 0.8933
436 MPD 0.8932
437 ODV 0.8932
438 DMG 0.8931
439 51R 0.8931
440 KG7 0.8931
441 C21 0.8931
442 P2D 0.8930
443 PEZ 0.8929
444 TMH 0.8929
445 4NC 0.8927
446 BZF 0.8927
447 3ZQ 0.8926
448 64K 0.8925
449 6M4 0.8925
450 KPL 0.8925
451 4JL 0.8924
452 7WV 0.8924
453 4CL 0.8922
454 FBW 0.8922
455 PYG 0.8921
456 G3P 0.8920
457 NOJ 0.8920
458 RB5 0.8920
459 RB0 0.8920
460 23A 0.8918
461 FYU 0.8918
462 3M0 0.8916
463 1SA 0.8915
464 24T 0.8915
465 FBA 0.8914
466 6UA 0.8914
467 49F 0.8914
468 5DI 0.8913
469 DYA 0.8912
470 AT3 0.8912
471 ICP 0.8910
472 PYD 0.8910
473 LLQ 0.8909
474 DPF 0.8909
475 3HB 0.8908
476 FOC 0.8907
477 ADE 0.8907
478 284 0.8906
479 RNS 0.8905
480 3AB 0.8904
481 CXL 0.8903
482 MD0 0.8902
483 HMH 0.8900
484 TH7 0.8900
485 AAE 0.8900
486 MZG 0.8900
487 HGQ 0.8899
488 RNT 0.8899
489 IPH 0.8898
490 FBJ 0.8896
491 5JC 0.8895
492 3NT 0.8894
493 BEW 0.8894
494 SGL 0.8894
495 286 0.8892
496 DE2 0.8892
497 PEA 0.8890
498 Q88 0.8889
499 HQE 0.8889
500 5FX 0.8889
501 CDV 0.8888
502 DGN 0.8887
503 4H2 0.8887
504 MNN 0.8887
505 LRH 0.8886
506 ARA 0.8885
507 AFR 0.8885
508 PSE 0.8884
509 SEP 0.8882
510 ABE 0.8882
511 SMV 0.8881
512 3MC 0.8880
513 4JJ 0.8879
514 CIG 0.8879
515 ONL 0.8875
516 1DJ 0.8875
517 KMH 0.8873
518 FUB 0.8873
519 GGL 0.8871
520 265 0.8870
521 WOT 0.8870
522 C5J 0.8870
523 FBM 0.8870
524 A2Q 0.8869
525 4XR 0.8869
526 PLQ 0.8869
527 6CS 0.8868
528 FP2 0.8868
529 DS0 0.8868
530 OSE 0.8867
531 CYH 0.8866
532 F9P 0.8866
533 K6H 0.8865
534 DOR 0.8865
535 LG4 0.8863
536 BR8 0.8862
537 92Z 0.8860
538 DTL 0.8860
539 GP9 0.8860
540 5MH 0.8859
541 MZ0 0.8858
542 2PN 0.8857
543 4SD 0.8857
544 43M 0.8855
545 8X3 0.8855
546 2IM 0.8854
547 BDR 0.8854
548 8LG 0.8853
549 1AN 0.8853
550 TIH 0.8853
551 6MP 0.8852
552 JZ2 0.8852
553 PRZ 0.8852
554 G3H 0.8851
555 9DA 0.8850
556 AX2 0.8850
557 CEE 0.8850
558 DOB 0.8850
559 YHO 0.8849
560 N7P 0.8849
561 RP7 0.8849
562 WDL 0.8847
563 HAI 0.8847
564 LXC 0.8846
565 9HX 0.8844
566 SWD 0.8844
567 PCR 0.8842
568 1GP 0.8842
569 YTB 0.8841
570 HVQ 0.8841
571 J1Z 0.8841
572 7BC 0.8838
573 ALA ALA 0.8837
574 R9M 0.8836
575 FRU 0.8835
576 GAB 0.8835
577 SOE 0.8834
578 OVV 0.8833
579 FPN 0.8830
580 4JO 0.8830
581 2LP 0.8830
582 JZ1 0.8830
583 BR9 0.8830
584 P3K 0.8829
585 7EX 0.8829
586 3DY 0.8829
587 449 0.8829
588 3HR 0.8828
589 FCB 0.8827
590 F05 0.8827
591 FA1 0.8827
592 V1L 0.8826
593 54D 0.8826
594 MSE 0.8825
595 6NA 0.8825
596 13X 0.8825
597 2K4 0.8824
598 MWJ 0.8824
599 2A7 0.8824
600 4PW 0.8823
601 3XX 0.8823
602 JZ4 0.8823
603 MAN 0.8822
604 27Y 0.8821
605 WCE 0.8821
606 DA1 0.8820
607 PXY 0.8820
608 7WA 0.8818
609 M3T 0.8818
610 GRE 0.8818
611 MBD 0.8818
612 6F0 0.8816
613 HX3 0.8816
614 PTO 0.8816
615 BVG 0.8815
616 14O 0.8815
617 BE7 0.8815
618 HYN 0.8813
619 2AF 0.8813
620 L3Q 0.8813
621 LEA 0.8813
622 F60 0.8812
623 93B 0.8811
624 DMJ 0.8811
625 DAL DAL 0.8810
626 BP1 0.8810
627 1XX 0.8810
628 IUR 0.8810
629 L89 0.8810
630 G4D 0.8808
631 9DG 0.8807
632 7MH 0.8807
633 IPM 0.8806
634 32O 0.8806
635 H76 0.8805
636 FLM 0.8803
637 25R 0.8802
638 6LW 0.8801
639 8H8 0.8801
640 PPF 0.8801
641 S76 0.8800
642 SEJ 0.8800
643 5H1 0.8799
644 6AI 0.8799
645 24B 0.8799
646 173 0.8799
647 SYG 0.8798
648 2C9 0.8798
649 PRY 0.8798
650 GLC 0.8797
651 MB3 0.8797
652 6M1 0.8796
653 XCZ 0.8796
654 JZ0 0.8795
655 MBN 0.8795
656 FCA 0.8794
657 0TR 0.8792
658 5HN 0.8792
659 T6C 0.8792
660 ICN 0.8792
661 IPU 0.8791
662 L60 0.8791
663 5AN 0.8791
664 I2M 0.8791
665 HRZ 0.8791
666 PM6 0.8790
667 GYE 0.8790
668 9EW 0.8789
669 B3R 0.8789
670 JIF 0.8789
671 AAS 0.8787
672 9PO 0.8786
673 AOS 0.8786
674 3BZ 0.8786
675 PGH 0.8785
676 ORO 0.8784
677 GXE 0.8783
678 OXE 0.8783
679 76X 0.8782
680 AZA 0.8782
681 BSX 0.8780
682 3FA 0.8780
683 BDF 0.8779
684 4XX 0.8779
685 MEV 0.8779
686 3GR 0.8779
687 2MY 0.8778
688 H4N 0.8778
689 3AP 0.8778
690 ES4 0.8776
691 Y8I 0.8776
692 3AY 0.8776
693 F81 0.8776
694 5MI 0.8775
695 GMN 0.8774
696 4AP 0.8772
697 POP 0.8771
698 8GC 0.8770
699 TMT 0.8768
700 SVD 0.8768
701 PSJ 0.8767
702 GTQ 0.8766
703 93Q 0.8765
704 3MH 0.8765
705 3CE 0.8763
706 BGC 0.8763
707 5RG 0.8762
708 7CZ 0.8762
709 GOL 0.8760
710 9TZ 0.8760
711 5MB 0.8759
712 2CH 0.8759
713 4NG 0.8759
714 I38 0.8757
715 TAU 0.8757
716 TMZ 0.8756
717 AX7 0.8755
718 A2F 0.8754
719 8CL 0.8754
720 EKZ 0.8754
721 FUD 0.8752
722 5ZE 0.8752
723 FK1 0.8752
724 2AP 0.8751
725 FA0 0.8751
726 HTS 0.8750
727 129 0.8750
728 ABV 0.8748
729 FFP 0.8746
730 HVK 0.8746
731 GAL 0.8744
732 2ZX 0.8744
733 HMU 0.8743
734 NSP 0.8742
735 2HE 0.8741
736 SF9 0.8741
737 9ON 0.8741
738 GUN 0.8739
739 ZZT 0.8738
740 ES9 0.8738
741 SHA 0.8737
742 TNE 0.8737
743 4HS 0.8736
744 11S 0.8736
745 IFL 0.8735
746 25T 0.8735
747 XAN 0.8735
748 DHI 0.8730
749 2CK 0.8730
750 938 0.8730
751 AZG 0.8730
752 NOY 0.8729
753 MEQ 0.8729
754 3FH 0.8729
755 A09 0.8726
756 54G 0.8726
757 XX2 0.8725
758 FX1 0.8724
759 270 0.8724
760 JBE 0.8723
761 4DX 0.8723
762 BHA 0.8723
763 34D 0.8721
764 KSW 0.8719
765 CFP 0.8718
766 ERH 0.8718
767 HSL 0.8717
768 DTU 0.8717
769 BDP 0.8716
770 2EZ 0.8716
771 5M0 0.8711
772 5MK 0.8711
773 LCN 0.8709
774 290 0.8709
775 4M0 0.8709
776 G2F 0.8707
777 ASO 0.8706
778 3RK 0.8704
779 N4B 0.8699
780 A8C 0.8698
781 LGA 0.8698
782 HHA 0.8695
783 QUZ 0.8695
784 K5W 0.8694
785 67N 0.8694
786 FA3 0.8693
787 TLD 0.8692
788 4JN 0.8689
789 BMA 0.8689
790 NEQ 0.8687
791 GLY CYS 0.8686
792 SVN 0.8683
793 JAB 0.8683
794 M1A 0.8682
795 BTE 0.8681
796 BHH 0.8681
797 1DW 0.8680
798 GLA 0.8679
799 HBU 0.8679
800 IPZ 0.8679
801 MNM 0.8679
802 DAV 0.8677
803 2CM 0.8677
804 0RW 0.8675
805 P92 0.8669
806 9SE 0.8668
807 XIX 0.8667
808 6X8 0.8667
809 SYM 0.8664
810 DYT 0.8664
811 RAT 0.8664
812 T9G 0.8664
813 6M9 0.8663
814 3SS 0.8659
815 ES0 0.8657
816 A20 0.8656
817 VPR 0.8655
818 JBK 0.8655
819 SKJ 0.8654
820 3Z7 0.8654
821 3DM 0.8651
822 X6X 0.8648
823 SX1 0.8645
824 2MI 0.8645
825 149 0.8644
826 1LQ 0.8640
827 ZXD 0.8639
828 RAM 0.8637
829 BRT 0.8637
830 HH5 0.8636
831 1DH 0.8636
832 I3A 0.8635
833 NPY 0.8634
834 D1X 0.8631
835 RM4 0.8628
836 GOO 0.8627
837 IOL 0.8625
838 SOL 0.8619
839 7B4 0.8619
840 ZZ3 0.8617
841 CWM 0.8616
842 911 0.8613
843 FAC 0.8612
844 1CO 0.8605
845 MEU 0.8602
846 ARW 0.8599
847 GLO 0.8597
848 OXC 0.8593
849 92K 0.8589
850 LGC 0.8583
851 IPB 0.8579
852 JFJ 0.8577
853 CYX 0.8568
854 FBT 0.8567
855 23J 0.8566
856 NFQ 0.8550
857 A13 0.8540
858 1KA 0.8536
859 GCS 0.8529
860 ISN 0.8523
861 069 0.8521
862 P22 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KTN; Ligand: 13P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5ktn.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback