Receptor
PDB id Resolution Class Description Source Keywords
6NSU 2.15 Å EC: 2.5.1.72 CRYSTALLOGRAPHIC CAPTURE OF QUINOLINATE SYNTHASE (NADA) FROM PYROCOCCUS HORIKOSHII IN ITS SUBSTRATES AND PRODUCT-BOUND S PYROCOCCUS HORIKOSHII (STRAIN ATCC 70012428 / JCM 9974 / NBRC 100139 / OT-3) TRANSFERASE
Ref.: AN UNEXPECTED SPECIES DETERMINED BY X-RAY CRYSTALLO THAT MAY REPRESENT AN INTERMEDIATE IN THE REACTION BY QUINOLINATE SYNTHASE. J.AM.CHEM.SOC. V. 141 14142 2019
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...
DYA A:402;
 Valid;
 none;
 submit data
131.087 C4 H5 N O4 C(=C(...
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: DYA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DYA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: DYA; Similar ligands found: 915
No: Ligand Similarity coefficient
1 OAA 1.0000
2 MLT 1.0000
3 LMR 0.9972
4 UGC 0.9971
5 TEO 0.9944
6 ASP 0.9920
7 LEU 0.9895
8 SIN 0.9758
9 CMS 0.9713
10 FUM 0.9705
11 HX2 0.9682
12 ASN 0.9675
13 BEN 0.9666
14 6PC 0.9648
15 SRT 0.9640
16 BEZ 0.9639
17 GUA 0.9638
18 NCA 0.9635
19 AKG 0.9625
20 JYD 0.9614
21 COI 0.9612
22 BAM 0.9605
23 4CS 0.9603
24 PHB 0.9599
25 NIO 0.9594
26 PEP 0.9583
27 OK7 0.9576
28 NTN 0.9576
29 PBC 0.9573
30 NPO 0.9555
31 8GC 0.9552
32 2RH 0.9551
33 HSE 0.9551
34 GAB 0.9544
35 IHG 0.9544
36 HBD 0.9540
37 3HB 0.9534
38 RSO 0.9530
39 3AB 0.9527
40 YCP 0.9525
41 1Y6 0.9521
42 OVV 0.9520
43 AC0 0.9519
44 53C 0.9513
45 ISZ 0.9511
46 PZA 0.9510
47 3NT 0.9509
48 5HN 0.9496
49 PAB 0.9496
50 3SL 0.9491
51 UNU 0.9486
52 VGL 0.9484
53 TLA 0.9484
54 BNS 0.9480
55 C21 0.9479
56 3OC 0.9476
57 SS1 0.9475
58 CFI 0.9469
59 54D 0.9461
60 AL0 0.9461
61 PRO 0.9457
62 BE7 0.9454
63 PZI 0.9449
64 WCE 0.9448
65 PBZ 0.9445
66 3BZ 0.9445
67 NBZ 0.9443
68 9X7 0.9435
69 TP5 0.9435
70 FQI 0.9428
71 TAR 0.9428
72 SD4 0.9426
73 TIU 0.9425
74 SHF 0.9421
75 0V5 0.9418
76 TPA 0.9416
77 BHO 0.9413
78 HCS 0.9410
79 M58 0.9407
80 SPV 0.9406
81 JAE 0.9401
82 FAN 0.9401
83 P72 0.9400
84 PHU 0.9398
85 826 0.9398
86 FOA 0.9397
87 69O 0.9391
88 14J 0.9389
89 FBM 0.9386
90 4MA 0.9385
91 DGL 0.9385
92 BE2 0.9384
93 4NC 0.9382
94 XX2 0.9381
95 DHB 0.9378
96 SAL 0.9373
97 INO 0.9373
98 F9P 0.9373
99 TZC 0.9372
100 FHB 0.9370
101 3SK 0.9367
102 F60 0.9363
103 SS2 0.9363
104 9YL 0.9362
105 SW7 0.9359
106 JLZ 0.9359
107 AMC 0.9359
108 4A3 0.9356
109 BRT 0.9354
110 14O 0.9354
111 265 0.9352
112 DE5 0.9349
113 2K4 0.9347
114 MLE 0.9346
115 5H1 0.9346
116 R67 0.9345
117 4MV 0.9342
118 GBD 0.9340
119 NNO 0.9339
120 7N0 0.9339
121 MYJ 0.9336
122 6AI 0.9336
123 J9T 0.9335
124 PEQ 0.9331
125 GZ3 0.9330
126 2HO 0.9327
127 P9P 0.9326
128 273 0.9321
129 60P 0.9318
130 5MI 0.9317
131 MAE 0.9315
132 M4T 0.9314
133 174 0.9313
134 4SV 0.9312
135 5OB 0.9312
136 3HM 0.9309
137 NIZ 0.9305
138 3U4 0.9304
139 K34 0.9302
140 93K 0.9302
141 BZX 0.9301
142 173 0.9300
143 5MB 0.9300
144 CHB 0.9298
145 AC6 0.9297
146 PYC 0.9296
147 JKE 0.9296
148 VNJ 0.9293
149 HL5 0.9291
150 IOM 0.9290
151 DQY 0.9290
152 I1E 0.9290
153 4P5 0.9289
154 7WV 0.9287
155 9TW 0.9284
156 ES6 0.9283
157 Z82 0.9282
158 BZ3 0.9280
159 JZ5 0.9279
160 KIV 0.9279
161 AHB 0.9275
162 FB2 0.9275
163 H42 0.9274
164 CSS 0.9273
165 CXF 0.9273
166 2AS 0.9272
167 JB5 0.9270
168 1DJ 0.9269
169 HBA 0.9268
170 PMB 0.9266
171 SC2 0.9264
172 2AQ 0.9264
173 COU 0.9262
174 SMV 0.9261
175 ABV 0.9260
176 7WG 0.9260
177 03V 0.9259
178 4WL 0.9258
179 GAG 0.9257
180 OCH 0.9256
181 4ZA 0.9255
182 MNN 0.9254
183 11S 0.9253
184 UY7 0.9253
185 NLE 0.9252
186 QSC 0.9250
187 ES5 0.9248
188 ABN 0.9247
189 GJZ 0.9247
190 XRG 0.9245
191 QSB 0.9243
192 JBE 0.9236
193 2PC 0.9233
194 ES9 0.9232
195 XM0 0.9232
196 4FS 0.9228
197 OXQ 0.9228
198 5WV 0.9220
199 MXN 0.9216
200 QY9 0.9213
201 1WD 0.9212
202 PLU 0.9212
203 HDH 0.9211
204 6M9 0.9209
205 7MU 0.9209
206 IT2 0.9205
207 FBJ 0.9205
208 PPR 0.9205
209 3MB 0.9204
210 HIO 0.9203
211 HDA 0.9202
212 PGA 0.9201
213 JBN 0.9200
214 717 0.9199
215 OVM 0.9199
216 SHA 0.9196
217 270 0.9194
218 AX7 0.9194
219 THE 0.9193
220 1P7 0.9193
221 IHB 0.9193
222 NPY 0.9192
223 5XC 0.9191
224 FBB 0.9189
225 PCA 0.9187
226 H4N 0.9185
227 AHR 0.9184
228 MET 0.9184
229 GLU 0.9184
230 ABU 0.9183
231 FK1 0.9180
232 2MI 0.9179
233 OGA 0.9179
234 51R 0.9178
235 5RG 0.9176
236 3ID 0.9174
237 5NU 0.9173
238 QUZ 0.9172
239 OKG 0.9171
240 6CS 0.9168
241 XBT 0.9167
242 1PT 0.9167
243 GTQ 0.9167
244 PKU 0.9166
245 40E 0.9165
246 LEA 0.9164
247 K2T 0.9162
248 DOB 0.9162
249 PAC 0.9159
250 1P3 0.9159
251 HBX 0.9159
252 HIS 0.9156
253 FPI 0.9155
254 5CU 0.9149
255 4VP 0.9149
256 1DU 0.9148
257 FA0 0.9148
258 54G 0.9145
259 5M0 0.9144
260 ZBT 0.9143
261 J9Q 0.9142
262 TZL 0.9142
263 L99 0.9141
264 1SA 0.9140
265 DMD 0.9140
266 KMH 0.9139
267 GYE 0.9139
268 NMG 0.9138
269 PIM 0.9138
270 GLN 0.9136
271 ET2 0.9135
272 BHA 0.9134
273 4M0 0.9133
274 PEA 0.9132
275 CYS 0.9132
276 5B1 0.9131
277 KKN 0.9127
278 FBA 0.9123
279 0RW 0.9123
280 IZC 0.9122
281 ISN 0.9121
282 SYN 0.9117
283 4FA 0.9116
284 ES7 0.9114
285 FP1 0.9114
286 23W 0.9111
287 MZW 0.9103
288 HSM 0.9103
289 FBV 0.9101
290 1DV 0.9100
291 DEN 0.9100
292 DTL 0.9100
293 TH7 0.9099
294 3HA 0.9097
295 HLR 0.9095
296 HSO 0.9095
297 TFB 0.9095
298 C2B 0.9093
299 P92 0.9093
300 SSN 0.9093
301 1DW 0.9092
302 SAN 0.9091
303 LLQ 0.9091
304 4JL 0.9090
305 069 0.9090
306 TH0 0.9090
307 ICF 0.9090
308 F05 0.9088
309 KOJ 0.9088
310 ILE 0.9088
311 8NY 0.9086
312 FBW 0.9083
313 9TZ 0.9080
314 PYF 0.9080
315 5MK 0.9080
316 5AC 0.9079
317 2CO 0.9079
318 9EW 0.9078
319 GLY ALA 0.9078
320 FCR 0.9077
321 4JU 0.9076
322 DAS 0.9076
323 JAB 0.9075
324 EA1 0.9075
325 NXA 0.9075
326 36R 0.9074
327 6NA 0.9072
328 FW5 0.9072
329 4J8 0.9068
330 LZ1 0.9067
331 HYP 0.9067
332 8OZ 0.9066
333 ONL 0.9064
334 TSU 0.9064
335 DBH 0.9064
336 SVN 0.9064
337 GOJ 0.9064
338 IFP 0.9063
339 IND 0.9063
340 2HG 0.9063
341 X1S 0.9062
342 1SP 0.9062
343 4JT 0.9060
344 MAK 0.9059
345 HY1 0.9058
346 NMJ 0.9057
347 0HN 0.9057
348 RM1 0.9056
349 2ZM 0.9055
350 ES2 0.9054
351 SX1 0.9053
352 FB1 0.9050
353 4SD 0.9050
354 2HQ 0.9049
355 S2G 0.9047
356 CLW 0.9046
357 BP9 0.9046
358 OW4 0.9045
359 DHR 0.9045
360 3F0 0.9045
361 J9N 0.9044
362 FE DB1 0.9044
363 282 0.9044
364 MR1 0.9044
365 GLY GLY 0.9043
366 6NT 0.9043
367 NK 0.9041
368 ORN 0.9040
369 XCZ 0.9040
370 E5X 0.9040
371 2BG 0.9038
372 4XR 0.9037
373 3M0 0.9035
374 0R1 0.9035
375 3NY 0.9035
376 6M4 0.9035
377 RNS 0.9035
378 PYJ 0.9035
379 98J 0.9034
380 BZI 0.9032
381 VGD 0.9031
382 2CK 0.9030
383 MLA 0.9029
384 X0V 0.9028
385 JBK 0.9028
386 NVA 0.9028
387 2HU 0.9026
388 6NI 0.9026
389 F9Y 0.9024
390 RMN 0.9023
391 MPI 0.9022
392 ODO 0.9021
393 DHS 0.9021
394 AEF 0.9021
395 PY7 0.9020
396 86J 0.9018
397 97T 0.9015
398 VKC 0.9014
399 RHU 0.9014
400 SPA 0.9014
401 5NI 0.9013
402 7W4 0.9012
403 GGL 0.9012
404 XQ0 0.9011
405 H95 0.9011
406 NBE 0.9011
407 KMT 0.9010
408 DS0 0.9009
409 DGN 0.9006
410 QWN 0.9006
411 49F 0.9004
412 BZF 0.9004
413 PAH 0.9004
414 FYU 0.9002
415 2PG 0.9002
416 PEL 0.9000
417 1P8 0.9000
418 OEG 0.8999
419 ABI 0.8999
420 2MH 0.8999
421 1F1 0.8998
422 G3P 0.8997
423 I3A 0.8997
424 JZ3 0.8996
425 URP 0.8996
426 OTR 0.8996
427 4FH 0.8995
428 PRS 0.8991
429 PEZ 0.8990
430 KVP 0.8990
431 PIY 0.8990
432 0R0 0.8989
433 4JP 0.8988
434 HX3 0.8988
435 H8N 0.8987
436 LT2 0.8987
437 AAS 0.8986
438 3A9 0.8986
439 GVH 0.8985
440 4JM 0.8985
441 PG3 0.8984
442 THR 0.8984
443 261 0.8982
444 FEH 0.8981
445 GZL 0.8979
446 0HO 0.8977
447 5QY 0.8974
448 3PF 0.8973
449 Q88 0.8973
450 JA8 0.8973
451 RB5 0.8972
452 CRN 0.8972
453 URO 0.8972
454 7A8 0.8972
455 JAW 0.8971
456 OHG 0.8971
457 9ON 0.8968
458 M1A 0.8967
459 M6W 0.8966
460 1MR 0.8966
461 J1Z 0.8965
462 5VM 0.8965
463 RSF 0.8965
464 SYM 0.8965
465 LDP 0.8965
466 XUL 0.8964
467 FBS 0.8963
468 3PY 0.8962
469 4BZ 0.8962
470 MCT 0.8961
471 IDM 0.8960
472 EKZ 0.8958
473 0VT 0.8955
474 D48 0.8955
475 QXW 0.8954
476 E7Z 0.8953
477 ANN 0.8951
478 1M2 0.8951
479 SE2 0.8951
480 HIU 0.8950
481 G3H 0.8947
482 HMH 0.8945
483 7HQ 0.8944
484 IP0 0.8944
485 MQN 0.8942
486 HQE 0.8942
487 J5I 0.8941
488 45L 0.8940
489 CWM 0.8938
490 4SX 0.8938
491 4JQ 0.8936
492 2KT 0.8935
493 3HG 0.8934
494 XYL 0.8933
495 R8S 0.8932
496 RNT 0.8932
497 G3E 0.8931
498 6GU 0.8930
499 MLI 0.8928
500 13P 0.8926
501 8K2 0.8926
502 EHM 0.8926
503 4Z4 0.8925
504 0TU 0.8924
505 0CT 0.8924
506 KG7 0.8924
507 67N 0.8923
508 2D0 0.8923
509 TYL 0.8922
510 KUF 0.8920
511 ES0 0.8920
512 RIB 0.8916
513 1DQ 0.8913
514 ITN 0.8912
515 IPB 0.8911
516 SVD 0.8910
517 1SQ 0.8909
518 YRL 0.8909
519 F4E 0.8907
520 SER 0.8907
521 AZG 0.8905
522 PNZ 0.8904
523 5RN 0.8904
524 MS9 0.8903
525 LG4 0.8902
526 47J 0.8901
527 2AL 0.8901
528 HT4 0.8900
529 JZ7 0.8899
530 QDK 0.8899
531 XAN 0.8898
532 SMN 0.8898
533 8H8 0.8897
534 QMP 0.8897
535 LNR 0.8896
536 JFJ 0.8896
537 6AP 0.8896
538 URF 0.8896
539 1LQ 0.8895
540 XLS 0.8894
541 HHI 0.8893
542 PLQ 0.8893
543 GUN 0.8893
544 5SG 0.8893
545 MWM 0.8893
546 MUC 0.8893
547 2FY 0.8892
548 HMU 0.8892
549 CWS 0.8890
550 4ZE 0.8888
551 LDU 0.8888
552 52C 0.8886
553 PCR 0.8886
554 DX4 0.8884
555 5JC 0.8882
556 P2D 0.8882
557 PGH 0.8882
558 8WO 0.8882
559 275 0.8881
560 1NP 0.8881
561 HHA 0.8880
562 HVQ 0.8880
563 141 0.8879
564 AMS 0.8879
565 4YO 0.8878
566 F31 0.8878
567 HQJ 0.8877
568 5MH 0.8877
569 2YU 0.8876
570 HYA 0.8876
571 PXY 0.8876
572 MRY 0.8875
573 1GP 0.8872
574 0P6 0.8872
575 AAE 0.8871
576 XBZ 0.8870
577 XIY 0.8870
578 MRZ 0.8869
579 FOC 0.8869
580 NF3 0.8868
581 4HO 0.8868
582 4NM 0.8868
583 JBH 0.8867
584 9CL 0.8866
585 L5V 0.8865
586 M2K 0.8865
587 DBX 0.8864
588 2FT 0.8864
589 5IQ 0.8863
590 MSR 0.8862
591 A2F 0.8860
592 3PP 0.8860
593 FPN 0.8858
594 DA1 0.8857
595 VAL 0.8856
596 42A 0.8856
597 CFP 0.8855
598 VNL 0.8855
599 SEP 0.8855
600 2MP 0.8854
601 CRS 0.8853
602 25R 0.8853
603 34A 0.8852
604 YH7 0.8852
605 4YS 0.8852
606 AZA 0.8852
607 ES1 0.8851
608 JB8 0.8851
609 9DG 0.8850
610 JDN 0.8850
611 8CM 0.8849
612 CEE 0.8849
613 1LM 0.8848
614 12Q 0.8847
615 MED 0.8846
616 KJH 0.8846
617 BSX 0.8846
618 2AC 0.8845
619 ICO 0.8845
620 290 0.8845
621 6RQ 0.8844
622 PBA 0.8843
623 EYK 0.8843
624 HPS 0.8842
625 XYD 0.8842
626 HH5 0.8840
627 A29 0.8840
628 RBL 0.8840
629 1MC 0.8840
630 IGA 0.8839
631 5QX 0.8837
632 RCO 0.8837
633 5Q0 0.8836
634 C2A 0.8835
635 WBU 0.8834
636 EOU 0.8833
637 BML 0.8832
638 JPZ 0.8832
639 2LP 0.8831
640 HPA 0.8828
641 GP9 0.8827
642 ORO 0.8827
643 TM7 0.8826
644 TDR 0.8825
645 KTA 0.8822
646 OVP 0.8822
647 C5J 0.8821
648 CWJ 0.8820
649 9RW 0.8820
650 O72 0.8819
651 4AA 0.8819
652 M45 0.8818
653 BVC 0.8817
654 N5J 0.8817
655 MZG 0.8816
656 7W1 0.8815
657 FGZ 0.8815
658 BPN 0.8814
659 286 0.8813
660 5XB 0.8813
661 1AL 0.8812
662 JZ9 0.8810
663 HTX 0.8810
664 ABA 0.8810
665 SKM 0.8809
666 2CQ 0.8809
667 IXW 0.8809
668 5UC 0.8808
669 BNF 0.8807
670 43M 0.8805
671 4CL 0.8805
672 SME 0.8805
673 259 0.8804
674 IWT 0.8803
675 NVI 0.8803
676 92K 0.8802
677 DAV 0.8801
678 C2N 0.8800
679 3XX 0.8800
680 MWP 0.8800
681 1CO 0.8800
682 EDR 0.8796
683 1XM 0.8796
684 94W 0.8796
685 ROR 0.8796
686 3LR 0.8793
687 MEV 0.8793
688 7B4 0.8792
689 0CU 0.8792
690 URS 0.8789
691 LZM 0.8788
692 152 0.8787
693 5FX 0.8785
694 MLM 0.8785
695 JZ2 0.8785
696 Q24 0.8784
697 TZF 0.8783
698 KBB 0.8782
699 24W 0.8780
700 AMH 0.8778
701 24B 0.8777
702 3FH 0.8776
703 4XH 0.8776
704 4CH 0.8776
705 OXC 0.8775
706 PYD 0.8774
707 ICP 0.8774
708 23A 0.8774
709 BZ2 0.8774
710 K5W 0.8773
711 9FL 0.8773
712 HQT 0.8773
713 M5K 0.8772
714 3CH 0.8771
715 IV2 0.8770
716 ADZ 0.8770
717 RJY 0.8770
718 A8C 0.8770
719 1WG 0.8768
720 SYV 0.8767
721 QOS 0.8767
722 9X6 0.8766
723 ASC 0.8765
724 GDE 0.8765
725 150 0.8765
726 PAF 0.8764
727 QSH 0.8761
728 GRO 0.8760
729 SN4 0.8760
730 A1U 0.8760
731 HQY 0.8760
732 TLD 0.8759
733 HH8 0.8759
734 10L 0.8758
735 KYD 0.8755
736 4JJ 0.8754
737 2IT 0.8753
738 IUR 0.8753
739 CTL 0.8752
740 1IT 0.8751
741 FUD 0.8750
742 ADE 0.8749
743 PUT 0.8748
744 M1E 0.8748
745 PDC 0.8748
746 AW5 0.8745
747 3BU 0.8745
748 NSP 0.8744
749 SNU 0.8743
750 6M1 0.8743
751 J9W 0.8743
752 9CA 0.8743
753 N2I 0.8741
754 M3H 0.8741
755 AJ2 0.8739
756 URA 0.8739
757 4JO 0.8738
758 SHO 0.8735
759 BUB 0.8733
760 AZ8 0.8732
761 DCL 0.8730
762 MWJ 0.8730
763 R2B 0.8730
764 CPZ 0.8730
765 DGY 0.8727
766 8ZE 0.8726
767 ZZT 0.8726
768 4HS 0.8726
769 PD2 0.8726
770 XSP 0.8725
771 34D 0.8725
772 PZM 0.8723
773 SWD 0.8722
774 KJU 0.8720
775 9DA 0.8715
776 G5V 0.8715
777 GRE 0.8715
778 PE0 0.8714
779 ALO 0.8713
780 4ZC 0.8713
781 AQO 0.8713
782 K6V 0.8711
783 SJ5 0.8711
784 TGX 0.8710
785 A7W 0.8707
786 ACH 0.8706
787 MEW 0.8706
788 6MP 0.8706
789 RAT 0.8701
790 LG3 0.8701
791 DIN 0.8701
792 4HC 0.8701
793 BR9 0.8701
794 ICB 0.8701
795 R8A 0.8699
796 EUG 0.8698
797 BCP 0.8697
798 1KA 0.8697
799 3Z8 0.8696
800 EDG 0.8695
801 4JN 0.8694
802 URQ 0.8692
803 BVF 0.8692
804 FDB 0.8691
805 258 0.8691
806 SNE 0.8691
807 BEA 0.8689
808 25T 0.8689
809 LG5 0.8688
810 L3Q 0.8686
811 Y8I 0.8683
812 8G0 0.8683
813 4M4 0.8682
814 7HP 0.8681
815 MPV 0.8681
816 Q02 0.8679
817 FK8 0.8678
818 BTY 0.8676
819 6F0 0.8676
820 23J 0.8676
821 CYT 0.8674
822 15E 0.8674
823 27Y 0.8673
824 SKA 0.8671
825 45C 0.8671
826 LTL 0.8670
827 TC7 0.8666
828 BOA 0.8666
829 24T 0.8666
830 P3K 0.8663
831 7WA 0.8662
832 ESX 0.8662
833 7NI 0.8659
834 KDV 0.8656
835 FOT 0.8656
836 1SH 0.8655
837 BCU 0.8653
838 9HX 0.8650
839 BXO 0.8645
840 4H2 0.8644
841 SDD 0.8644
842 2ZV 0.8643
843 1AB 0.8642
844 V55 0.8641
845 F4Z 0.8640
846 SGL 0.8639
847 3SS 0.8639
848 Q6T 0.8638
849 LER 0.8637
850 0TR 0.8637
851 F81 0.8636
852 R20 0.8635
853 HE2 0.8634
854 SOR 0.8631
855 KT7 0.8630
856 26D 0.8630
857 1DH 0.8630
858 QBK 0.8627
859 AZ9 0.8626
860 XAZ 0.8626
861 DYT 0.8624
862 ESP 0.8624
863 BTE 0.8622
864 GIF 0.8620
865 M6N 0.8619
866 R9M 0.8618
867 MAH 0.8618
868 QWW 0.8617
869 URC 0.8616
870 BP1 0.8615
871 HGQ 0.8615
872 0BP 0.8613
873 B3R 0.8613
874 CIG 0.8612
875 9MG 0.8612
876 F0J 0.8612
877 0F9 0.8610
878 M3T 0.8609
879 8GF 0.8608
880 MRW 0.8604
881 ES4 0.8602
882 5LA 0.8602
883 NYL 0.8601
884 6FZ 0.8600
885 8WT 0.8598
886 IOL 0.8593
887 N8Y 0.8592
888 DHI 0.8590
889 2AK 0.8586
890 2A9 0.8585
891 PO6 0.8578
892 SOL 0.8577
893 4NB 0.8574
894 HEW 0.8571
895 3DO 0.8569
896 DIU 0.8567
897 3R6 0.8566
898 EQT 0.8566
899 2HC 0.8563
900 5RO 0.8558
901 AKH 0.8555
902 B55 0.8554
903 GLO 0.8552
904 75K 0.8551
905 4XV 0.8551
906 ETX 0.8549
907 MUA 0.8546
908 HYN 0.8544
909 B53 0.8535
910 C2U 0.8534
911 N2Z 0.8531
912 NM3 0.8526
913 MPJ 0.8524
914 7CZ 0.8519
915 7VS 0.8508
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
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