Receptor
PDB id Resolution Class Description Source Keywords
6I0R 2.1 Å EC: 2.5.1.72 STRUCTURE OF QUINOLINATE SYNTHASE IN COMPLEX WITH 5-MERCAPTO 2,3-DICARBOXYLIC ACID THERMOTOGA MARITIMA MSB8 NAD BIOSYNTHESIS IRON SULFUR CLUSTER TRANSFERASE
Ref.: DESIGN OF SPECIFIC INHIBITORS OF QUINOLINATE SYNTHA ON [4FE-4S] CLUSTER COORDINATION. CHEM.COMMUN.(CAMB.) V. 55 3725 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:305;
A:306;
A:301;
A:302;
 Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
 none;
none;
none;
none;
 submit data
55.845 Fe [Fe+3...
H2S A:308;
A:303;
A:307;
A:304;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
34.081 H2 S S
QAT A:309;
 Valid;
 none;
 submit data
199.184 C7 H5 N O4 S C1C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F33 1.45 Å EC: 2.5.1.72 STRUCTURE OF QUINOLINATE SYNTHASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE THERMOTOGA MARITIMA MSB8 NAD BIOSYNTHESIS IRON SULFUR CLUSTER TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF QUINOLINATE SYNTHASE IN COMPL SUBSTRATE ANALOGUE, THE CONDENSATION INTERMEDIATE, SUBSTRATE-DERIVED PRODUCT. J.AM.CHEM.SOC. V. 138 11802 2016
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5F3D - 5UK C7 H9 N O6 [H]/N=C([C....
2 6I0P - QAS C7 H5 N O4 S c1cc(nc(c1....
3 5F33 - PGH C2 H6 N O6 P C(C(=O)NO)....
4 6F48 - XQB C7 H9 N O6 [H]/N=C(/[....
5 5LQS - NTM C7 H5 N O4 c1cc(c(nc1....
6 6F4L - NTM C7 H5 N O4 c1cc(c(nc1....
7 5F35 - FLC C6 H5 O7 C(C(=O)[O-....
8 6G74 - PHT C8 H6 O4 c1ccc(c(c1....
9 6I0K - GZ8 C8 H6 O4 S C1=CC(=S)C....
10 5LQM - FLC C6 H5 O7 C(C(=O)[O-....
11 6I0R - QAT C7 H5 N O4 S C1C(=S)C=N....
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: QAT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 QAT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: QAT; Similar ligands found: 719
No: Ligand Similarity coefficient
1 GM7 0.9925
2 GZ8 0.9913
3 QAS 0.9882
4 YQA 0.9820
5 GJS 0.9818
6 SXS 0.9712
7 PHT 0.9708
8 LSA 0.9661
9 NTM 0.9657
10 EJZ 0.9647
11 KLW 0.9598
12 MWP 0.9474
13 BGC 0.9445
14 APZ 0.9435
15 UEG 0.9435
16 3MG 0.9435
17 GCS 0.9423
18 G3F 0.9409
19 20J 0.9405
20 URC 0.9400
21 8TX 0.9394
22 ZZ8 0.9393
23 GOG 0.9390
24 KT7 0.9385
25 8S0 0.9370
26 Q71 0.9354
27 CWS 0.9349
28 PXL 0.9326
29 GLC 0.9316
30 0P6 0.9316
31 B55 0.9314
32 3Z8 0.9314
33 1U1 0.9308
34 DBX 0.9304
35 A7W 0.9298
36 GHM 0.9295
37 MRW 0.9293
38 PXM 0.9288
39 G5V 0.9285
40 6CS 0.9284
41 PX7 0.9278
42 3TJ 0.9276
43 8IG 0.9274
44 QBK 0.9272
45 4M0 0.9271
46 VOH 0.9264
47 GAL 0.9263
48 M0Q 0.9261
49 5RG 0.9259
50 KUF 0.9258
51 9MG 0.9257
52 UNC 0.9254
53 B5D 0.9250
54 UFO 0.9248
55 7A2 0.9247
56 NCD 0.9241
57 FBG 0.9236
58 9TZ 0.9234
59 DIN 0.9233
60 8CM 0.9231
61 5WY 0.9226
62 54G 0.9225
63 GTQ 0.9225
64 5M0 0.9223
65 DBJ 0.9220
66 QX4 0.9220
67 HLZ 0.9219
68 GT0 0.9217
69 0FO 0.9214
70 BTY 0.9209
71 M1H 0.9203
72 INE 0.9200
73 5MK 0.9198
74 2MN 0.9195
75 F12 0.9194
76 4ME 0.9191
77 5NU 0.9190
78 GTZ 0.9187
79 HXX 0.9186
80 AZA 0.9185
81 DOB 0.9184
82 MUA 0.9183
83 3IT 0.9181
84 D07 0.9180
85 M5N 0.9179
86 5CU 0.9177
87 DPZ 0.9177
88 4MU 0.9177
89 AZ8 0.9174
90 Q24 0.9172
91 Q7A 0.9172
92 ES0 0.9171
93 2ZQ 0.9170
94 BDP 0.9170
95 GUN 0.9169
96 NDM 0.9168
97 1XN 0.9168
98 2D0 0.9167
99 KBB 0.9166
100 Q88 0.9166
101 FA0 0.9164
102 680 0.9164
103 CWM 0.9161
104 SX1 0.9158
105 LGC 0.9157
106 AJ2 0.9156
107 9DG 0.9150
108 PE0 0.9149
109 495 0.9147
110 8WT 0.9146
111 DQU 0.9146
112 HJP 0.9146
113 GIM 0.9146
114 SHG 0.9144
115 XHP 0.9141
116 FOT 0.9139
117 0W8 0.9138
118 MBG 0.9138
119 4HC 0.9136
120 XAN 0.9136
121 N5J 0.9135
122 NTZ 0.9133
123 M5K 0.9132
124 4NO 0.9131
125 IGA 0.9131
126 1LQ 0.9130
127 B62 0.9123
128 SRO 0.9123
129 CFP 0.9121
130 75K 0.9119
131 XAZ 0.9118
132 N8Y 0.9118
133 6M4 0.9118
134 BHA 0.9115
135 GCU 0.9114
136 44W 0.9113
137 Q77 0.9113
138 MVN 0.9112
139 AEZ 0.9111
140 AQO 0.9111
141 ADZ 0.9111
142 R8V 0.9109
143 ES1 0.9109
144 M1Q 0.9108
145 1XM 0.9108
146 141 0.9106
147 24W 0.9105
148 HQY 0.9105
149 5JL 0.9105
150 HZQ 0.9105
151 MT0 0.9104
152 ORO 0.9104
153 J9W 0.9102
154 2H5 0.9101
155 5IQ 0.9101
156 1NP 0.9100
157 1LM 0.9100
158 290 0.9098
159 ENL 0.9098
160 AKH 0.9095
161 I6G 0.9091
162 AZ9 0.9090
163 V55 0.9089
164 IPB 0.9088
165 K3Q 0.9087
166 1SQ 0.9087
167 5Q0 0.9087
168 OTW 0.9086
169 25W 0.9083
170 SWA 0.9083
171 12B 0.9083
172 NID 0.9082
173 5SG 0.9081
174 4YS 0.9080
175 6R8 0.9078
176 4M4 0.9077
177 S76 0.9076
178 3Z7 0.9075
179 6ME 0.9072
180 5JQ 0.9071
181 Q6T 0.9068
182 JBH 0.9068
183 44V 0.9068
184 GOX 0.9068
185 JND 0.9067
186 7ZE 0.9067
187 JPZ 0.9065
188 2EC 0.9065
189 AIN 0.9063
190 FLC 0.9063
191 B57 0.9062
192 VK3 0.9062
193 TWO 0.9061
194 0N7 0.9061
195 7B4 0.9061
196 F1A 0.9061
197 KIB 0.9059
198 GCW 0.9059
199 NQ 0.9059
200 IJZ 0.9056
201 7WR 0.9055
202 GLY PRO 0.9055
203 7VS 0.9054
204 37T 0.9053
205 V6F 0.9053
206 OXC 0.9053
207 DX4 0.9052
208 7NI 0.9052
209 0CU 0.9051
210 M0W 0.9051
211 BOA 0.9049
212 4Z4 0.9049
213 ZB1 0.9049
214 G6D 0.9046
215 SKM 0.9046
216 GDE 0.9046
217 IPZ 0.9046
218 1P7 0.9044
219 329 0.9043
220 6AP 0.9042
221 IV2 0.9042
222 HQD 0.9035
223 XXR 0.9034
224 A2F 0.9033
225 3R6 0.9033
226 1DW 0.9033
227 KIA 0.9032
228 7VJ 0.9032
229 HMH 0.9032
230 2FQ 0.9032
231 ADK 0.9031
232 CFF 0.9031
233 MEW 0.9031
234 4TE 0.9031
235 HTP 0.9030
236 39A 0.9029
237 PRF 0.9028
238 EV0 0.9027
239 CIT 0.9026
240 EYK 0.9023
241 C2U 0.9022
242 NOJ 0.9021
243 KBG 0.9021
244 O72 0.9018
245 PFB 0.9017
246 GV9 0.9016
247 B60 0.9016
248 39U 0.9015
249 D3M 0.9012
250 60Q 0.9011
251 GLA 0.9009
252 149 0.9009
253 HNQ 0.9007
254 06B 0.9007
255 FDB 0.9007
256 HH8 0.9006
257 42C 0.9005
258 MAN 0.9005
259 PYQ 0.9003
260 6XI 0.9003
261 Z5P 0.9003
262 R9Y 0.9002
263 MIG 0.9001
264 8XQ 0.9001
265 DOR 0.9000
266 HMU 0.9000
267 GCV 0.8999
268 QPR 0.8999
269 LKA 0.8999
270 FYU 0.8997
271 UAN 0.8995
272 8W9 0.8993
273 5WX 0.8992
274 GIO 0.8991
275 EVA 0.8991
276 LT8 0.8989
277 3MA 0.8988
278 DNF 0.8988
279 DHK 0.8987
280 FLV 0.8987
281 3C2 0.8987
282 BTE 0.8986
283 3WA 0.8985
284 E7Z 0.8981
285 JUG 0.8980
286 3C1 0.8980
287 MO8 0.8975
288 PH2 0.8973
289 MAQ 0.8973
290 AZG 0.8972
291 DRL 0.8968
292 4TU 0.8966
293 G2F 0.8965
294 091 0.8965
295 YH7 0.8964
296 4XH 0.8963
297 F0J 0.8962
298 TTL 0.8962
299 24B 0.8961
300 FUC 0.8961
301 SR4 0.8961
302 NFQ 0.8961
303 MT8 0.8959
304 34D 0.8958
305 II6 0.8957
306 2AK 0.8957
307 3M0 0.8957
308 RXA 0.8954
309 BPU 0.8954
310 4V6 0.8954
311 7WV 0.8953
312 H33 0.8949
313 2AL 0.8949
314 12M 0.8947
315 K2P 0.8946
316 6GU 0.8945
317 XYP 0.8943
318 226 0.8942
319 XQ0 0.8942
320 D1X 0.8942
321 J01 0.8942
322 QQQ 0.8941
323 CKX 0.8939
324 BMA 0.8939
325 FBT 0.8938
326 KJY 0.8938
327 EUG 0.8938
328 I3A 0.8937
329 HH5 0.8935
330 1WD 0.8934
331 JKZ 0.8934
332 AUD 0.8933
333 TEP 0.8933
334 B53 0.8932
335 3HA 0.8932
336 5B1 0.8932
337 QM1 0.8931
338 GIV 0.8931
339 BE2 0.8930
340 AJV 0.8929
341 BEA 0.8929
342 86J 0.8929
343 948 0.8928
344 7ME 0.8927
345 2A7 0.8926
346 DBH 0.8926
347 HPA 0.8925
348 CKU 0.8924
349 15L 0.8923
350 ISE 0.8923
351 MS9 0.8922
352 3F0 0.8922
353 ZZT 0.8922
354 TRC 0.8922
355 ICT 0.8920
356 F6P 0.8918
357 32X 0.8918
358 SAL 0.8917
359 GCB 0.8917
360 GLT 0.8917
361 2FY 0.8915
362 GTR 0.8913
363 HHR 0.8912
364 7M6 0.8910
365 NGO 0.8910
366 4AA 0.8909
367 G1O 0.8907
368 TRA 0.8905
369 5QX 0.8905
370 DIU 0.8902
371 5RO 0.8901
372 12Q 0.8901
373 EA1 0.8900
374 BCP 0.8900
375 9KT 0.8900
376 ADE 0.8897
377 2FG 0.8897
378 VNL 0.8896
379 0FK 0.8894
380 YSO 0.8893
381 SOR 0.8891
382 FBV 0.8891
383 JBQ 0.8890
384 7HQ 0.8888
385 2A9 0.8888
386 2HQ 0.8887
387 6VD 0.8887
388 209 0.8886
389 FDK 0.8886
390 JKE 0.8885
391 FUL 0.8882
392 9DA 0.8881
393 CLZ 0.8881
394 SVN 0.8878
395 MHK 0.8877
396 IFL 0.8877
397 6MP 0.8876
398 AW5 0.8876
399 5PX 0.8876
400 ZWZ 0.8876
401 3U4 0.8875
402 OMD 0.8875
403 ISN 0.8873
404 5VJ 0.8873
405 ZVO 0.8873
406 KJH 0.8872
407 SYV 0.8872
408 EXO 0.8871
409 NOY 0.8871
410 9HX 0.8869
411 HQT 0.8869
412 FPK 0.8868
413 6LW 0.8868
414 AX3 0.8868
415 MVL 0.8867
416 DHQ 0.8864
417 7W1 0.8864
418 TOF 0.8864
419 1X7 0.8864
420 5NS 0.8862
421 SWD 0.8862
422 3SK 0.8862
423 PRZ 0.8862
424 2J9 0.8862
425 GRE 0.8861
426 AMG 0.8860
427 GSY 0.8858
428 7HP 0.8858
429 ES6 0.8858
430 4ZC 0.8856
431 HHT 0.8855
432 7WA 0.8854
433 M3S 0.8852
434 CTS 0.8851
435 2KA 0.8850
436 PQ0 0.8850
437 4SV 0.8848
438 ES5 0.8848
439 4XV 0.8847
440 03V 0.8846
441 C9E 0.8845
442 EQT 0.8845
443 4HM 0.8844
444 P4B 0.8844
445 8GK 0.8842
446 3DM 0.8842
447 F5B 0.8842
448 7A3 0.8841
449 M6N 0.8840
450 3DO 0.8840
451 AVR 0.8838
452 10L 0.8838
453 8ZE 0.8837
454 HBO 0.8835
455 1GN 0.8835
456 ZZ3 0.8835
457 5RN 0.8834
458 HA7 0.8832
459 CN0 0.8832
460 ASO 0.8832
461 COU 0.8831
462 92K 0.8831
463 5NE 0.8830
464 HKD 0.8829
465 JB5 0.8828
466 JTH 0.8827
467 SKA 0.8827
468 F31 0.8826
469 67X 0.8824
470 OCH 0.8823
471 ATH 0.8822
472 DNC 0.8821
473 VNJ 0.8820
474 BP1 0.8820
475 6F0 0.8819
476 PA1 0.8818
477 LT2 0.8816
478 7D2 0.8815
479 ALL 0.8812
480 GAF 0.8812
481 FRU 0.8812
482 1U6 0.8811
483 ODO 0.8809
484 XQG 0.8806
485 EOL 0.8805
486 3ID 0.8803
487 ES4 0.8803
488 8WO 0.8801
489 6M1 0.8801
490 GLF 0.8799
491 7B3 0.8798
492 KKN 0.8797
493 INS 0.8797
494 39O 0.8796
495 FH2 0.8795
496 ICO 0.8795
497 LI6 0.8795
498 2AQ 0.8795
499 4FS 0.8790
500 293 0.8790
501 FE DB1 0.8790
502 OA3 0.8788
503 GYE 0.8788
504 WOO 0.8787
505 RM1 0.8787
506 DEE 0.8786
507 PM6 0.8786
508 RPQ 0.8786
509 XX3 0.8785
510 TH7 0.8783
511 67N 0.8783
512 AHR 0.8782
513 82I 0.8781
514 B2J 0.8781
515 G3E 0.8778
516 OTD 0.8777
517 J9T 0.8777
518 NBG 0.8777
519 LDR 0.8776
520 GTL 0.8775
521 TTY 0.8775
522 X6X 0.8775
523 2ZV 0.8774
524 IL5 0.8773
525 CTL 0.8772
526 4AV 0.8767
527 EMZ 0.8767
528 DIE 0.8766
529 DMJ 0.8766
530 GYP 0.8766
531 KJU 0.8765
532 7W4 0.8764
533 M1A 0.8763
534 N2I 0.8763
535 7I2 0.8762
536 M1E 0.8759
537 FGZ 0.8759
538 RAM 0.8758
539 X8D 0.8758
540 H7Y 0.8758
541 FB1 0.8756
542 JR2 0.8756
543 QX2 0.8755
544 FHN 0.8754
545 GXY 0.8753
546 ADA 0.8750
547 6M9 0.8744
548 JG8 0.8744
549 PDC 0.8743
550 A65 0.8742
551 CBF 0.8742
552 SYR 0.8740
553 0W1 0.8740
554 8H8 0.8739
555 SHA 0.8739
556 VXX 0.8738
557 6BL 0.8738
558 MT5 0.8738
559 NDH 0.8738
560 NSP 0.8733
561 FDR 0.8733
562 QIC 0.8731
563 5WV 0.8731
564 H42 0.8731
565 X0W 0.8730
566 8HC 0.8728
567 4XS 0.8728
568 23A 0.8727
569 GXL 0.8727
570 X05 0.8724
571 LCN 0.8724
572 HLD 0.8723
573 T6C 0.8723
574 DMD 0.8722
575 K17 0.8722
576 XQK 0.8722
577 KDV 0.8719
578 92P 0.8718
579 ESI 0.8718
580 A13 0.8717
581 8NX 0.8717
582 E35 0.8717
583 TFU 0.8716
584 UQ 0.8714
585 KTW 0.8711
586 MFB 0.8711
587 PHH 0.8709
588 35C 0.8709
589 4JQ 0.8709
590 0LH 0.8709
591 7MH 0.8704
592 HFB 0.8703
593 FCB 0.8703
594 MNM 0.8702
595 NGT 0.8700
596 F05 0.8698
597 9AP 0.8696
598 YIO 0.8695
599 IFM 0.8695
600 MB1 0.8694
601 FSW 0.8692
602 ES7 0.8692
603 IBF 0.8691
604 SE2 0.8686
605 5WU 0.8685
606 AH8 0.8683
607 0TU 0.8683
608 BCF 0.8682
609 9EW 0.8679
610 2K8 0.8678
611 ZYR 0.8674
612 42A 0.8672
613 MQN 0.8672
614 5OB 0.8672
615 BBF 0.8671
616 0XT 0.8670
617 G12 0.8669
618 M2K 0.8668
619 12T 0.8667
620 TBS 0.8666
621 1WG 0.8665
622 DQN 0.8664
623 9PY 0.8662
624 PEY 0.8659
625 LZM 0.8657
626 MFU 0.8655
627 SG2 0.8655
628 0GZ 0.8653
629 2LY 0.8653
630 N8P 0.8652
631 7FF 0.8647
632 V1T 0.8642
633 K22 0.8640
634 J5I 0.8640
635 0FN 0.8639
636 KYD 0.8639
637 AFR 0.8637
638 FXH 0.8637
639 K32 0.8636
640 3R9 0.8635
641 TGX 0.8635
642 PZI 0.8634
643 18N 0.8634
644 4YO 0.8628
645 5CL 0.8626
646 G4D 0.8625
647 ABV 0.8624
648 1Z8 0.8624
649 C2Y 0.8624
650 95Z 0.8624
651 MMA 0.8623
652 X09 0.8623
653 RNS 0.8622
654 JZ3 0.8621
655 43M 0.8619
656 BHO 0.8618
657 JXN 0.8618
658 F81 0.8617
659 1KP 0.8617
660 I1N 0.8616
661 H6B 0.8615
662 PYD 0.8615
663 HHS 0.8611
664 JBK 0.8611
665 H5B 0.8610
666 3MB 0.8610
667 FA3 0.8610
668 MCO 0.8607
669 EPR 0.8607
670 W81 0.8606
671 TIU 0.8605
672 3GQ 0.8604
673 BDF 0.8604
674 MIC 0.8603
675 ICP 0.8602
676 F2W 0.8600
677 TDR 0.8599
678 4JT 0.8599
679 7CT 0.8598
680 KP6 0.8596
681 OXZ 0.8595
682 2CK 0.8593
683 PCI 0.8592
684 HX3 0.8592
685 4A5 0.8589
686 JF1 0.8587
687 FBU 0.8586
688 LYL 0.8584
689 JZ2 0.8581
690 4KL 0.8577
691 MCT 0.8576
692 JFD 0.8573
693 BZ3 0.8572
694 JBE 0.8572
695 XYD 0.8572
696 TM7 0.8570
697 F4Z 0.8569
698 KDO 0.8569
699 AEH 0.8567
700 F3B 0.8567
701 49N 0.8565
702 2YU 0.8563
703 KIF 0.8555
704 IUP 0.8553
705 13X 0.8552
706 MWM 0.8551
707 KOJ 0.8548
708 O2A 0.8548
709 FUF 0.8547
710 5VM 0.8546
711 36R 0.8546
712 TH0 0.8542
713 2CZ 0.8530
714 L3Q 0.8529
715 SF9 0.8526
716 34A 0.8523
717 MZB 0.8522
718 1P8 0.8518
719 DQA 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F33; Ligand: PGH; 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: 5f33.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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