Receptor
PDB id Resolution Class Description Source Keywords
2INX 1.5 Å EC: 5.3.3.1 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE D40N FROM PSEUDOMONAS PUTIDA (PKSI) WITH BOUND 2,6-DIFLUOROPHENOL PSEUDOMONAS PUTIDA KSI ENZYME ACTIVE SITE BINDING CHARGE DISTRIBUTION HYDROGEN BOND ISOMERASE
Ref.: TESTING GEOMETRICAL DISCRIMINATION WITHIN AN ENZYME ACTIVE SITE: CONSTRAINED HYDROGEN BONDING IN THE KETOSTEROID ISOMERASE OXYANION HOLE. J.AM.CHEM.SOC. V. 130 13696 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FFP A:132;
Valid;
none;
submit data
130.092 C6 H4 F2 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AI1 2.1 Å EC: 5.3.3.1 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE CONTAINING Y32F, D40N, Y57F AND Y119F MUTATIONS IN THE EQUILENIN-BOUND FORM PSEUDOMONAS PUTIDA ISOMERASE KETOSTEROID ISOMERASE PSEUDOMONAS PUTIDA EQUILE
Ref.: CONTRIBUTION OF A LOW-BARRIER HYDROGEN BOND TO CATA NOT SIGNIFICANT IN KETOSTEROID ISOMERASE. MOL.CELLS V. 38 409 2015
Members (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CPO - FP2 C6 H5 F O c1ccc(c(c1....
2 1W6Y Kd = 4.4 uM EQU C18 H18 O2 C[C@]12CCc....
3 5AI1 Kd = 0.34 uM EQU C18 H18 O2 C[C@]12CCc....
4 5G2G Kd = 0.9 uM EQU C18 H18 O2 C[C@]12CCc....
5 6C17 - DNX C6 H4 N2 O5 c1cc(c(cc1....
6 1GS3 - EQU C18 H18 O2 C[C@]12CCc....
7 5KP1 - EQU C18 H18 O2 C[C@]12CCc....
8 1OHO - EQU C18 H18 O2 C[C@]12CCc....
9 1CQS - EQU C18 H18 O2 C[C@]12CCc....
10 3OWY - EQU C18 H18 O2 C[C@]12CCc....
11 5KP4 - 6VW C18 H26 O2 C[C@]12CC[....
12 3IPT - EQU C18 H18 O2 C[C@]12CCc....
13 1OH0 - EQU C18 H18 O2 C[C@]12CCc....
14 1OGX Kd = 0.81 uM EQU C18 H18 O2 C[C@]12CCc....
15 1E3V Kd = 45.74 uM DXC C24 H40 O4 C[C@H](CCC....
16 6C1J - DNX C6 H4 N2 O5 c1cc(c(cc1....
17 6UFS - Q6J C18 H28 O2 C[C@]12CC[....
18 2PZV Kd = 135 uM IPH C6 H6 O c1ccc(cc1)....
19 3FZW - EQU C18 H18 O2 C[C@]12CCc....
20 6C1X - DNX C6 H4 N2 O5 c1cc(c(cc1....
21 3T8N - EDT C10 H16 N2 O8 C(CN(CC(=O....
22 1E3R - AND C19 H28 O2 C[C@]12CC[....
23 2INX - FFP C6 H4 F2 O c1cc(c(c(c....
24 3OWU - EQU C18 H18 O2 C[C@]12CCc....
25 5KP3 - EQU C18 H18 O2 C[C@]12CCc....
26 3OWS - EQU C18 H18 O2 C[C@]12CCc....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CPO - FP2 C6 H5 F O c1ccc(c(c1....
2 1W6Y Kd = 4.4 uM EQU C18 H18 O2 C[C@]12CCc....
3 5AI1 Kd = 0.34 uM EQU C18 H18 O2 C[C@]12CCc....
4 5G2G Kd = 0.9 uM EQU C18 H18 O2 C[C@]12CCc....
5 6C17 - DNX C6 H4 N2 O5 c1cc(c(cc1....
6 1GS3 - EQU C18 H18 O2 C[C@]12CCc....
7 5KP1 - EQU C18 H18 O2 C[C@]12CCc....
8 1OHO - EQU C18 H18 O2 C[C@]12CCc....
9 1CQS - EQU C18 H18 O2 C[C@]12CCc....
10 3OWY - EQU C18 H18 O2 C[C@]12CCc....
11 5KP4 - 6VW C18 H26 O2 C[C@]12CC[....
12 3IPT - EQU C18 H18 O2 C[C@]12CCc....
13 1OH0 - EQU C18 H18 O2 C[C@]12CCc....
14 1OGX Kd = 0.81 uM EQU C18 H18 O2 C[C@]12CCc....
15 1E3V Kd = 45.74 uM DXC C24 H40 O4 C[C@H](CCC....
16 6C1J - DNX C6 H4 N2 O5 c1cc(c(cc1....
17 6UFS - Q6J C18 H28 O2 C[C@]12CC[....
18 2PZV Kd = 135 uM IPH C6 H6 O c1ccc(cc1)....
19 3FZW - EQU C18 H18 O2 C[C@]12CCc....
20 6C1X - DNX C6 H4 N2 O5 c1cc(c(cc1....
21 3T8N - EDT C10 H16 N2 O8 C(CN(CC(=O....
22 1E3R - AND C19 H28 O2 C[C@]12CC[....
23 2INX - FFP C6 H4 F2 O c1cc(c(c(c....
24 3OWU - EQU C18 H18 O2 C[C@]12CCc....
25 5KP3 - EQU C18 H18 O2 C[C@]12CCc....
26 3OWS - EQU C18 H18 O2 C[C@]12CCc....
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CPO - FP2 C6 H5 F O c1ccc(c(c1....
2 1W6Y Kd = 4.4 uM EQU C18 H18 O2 C[C@]12CCc....
3 5AI1 Kd = 0.34 uM EQU C18 H18 O2 C[C@]12CCc....
4 5G2G Kd = 0.9 uM EQU C18 H18 O2 C[C@]12CCc....
5 6C17 - DNX C6 H4 N2 O5 c1cc(c(cc1....
6 1GS3 - EQU C18 H18 O2 C[C@]12CCc....
7 5KP1 - EQU C18 H18 O2 C[C@]12CCc....
8 1OHO - EQU C18 H18 O2 C[C@]12CCc....
9 1CQS - EQU C18 H18 O2 C[C@]12CCc....
10 3OWY - EQU C18 H18 O2 C[C@]12CCc....
11 5KP4 - 6VW C18 H26 O2 C[C@]12CC[....
12 3IPT - EQU C18 H18 O2 C[C@]12CCc....
13 1OH0 - EQU C18 H18 O2 C[C@]12CCc....
14 1OGX Kd = 0.81 uM EQU C18 H18 O2 C[C@]12CCc....
15 1E3V Kd = 45.74 uM DXC C24 H40 O4 C[C@H](CCC....
16 6C1J - DNX C6 H4 N2 O5 c1cc(c(cc1....
17 6UFS - Q6J C18 H28 O2 C[C@]12CC[....
18 2PZV Kd = 135 uM IPH C6 H6 O c1ccc(cc1)....
19 3FZW - EQU C18 H18 O2 C[C@]12CCc....
20 6C1X - DNX C6 H4 N2 O5 c1cc(c(cc1....
21 3T8N - EDT C10 H16 N2 O8 C(CN(CC(=O....
22 1E3R - AND C19 H28 O2 C[C@]12CC[....
23 2INX - FFP C6 H4 F2 O c1cc(c(c(c....
24 3OWU - EQU C18 H18 O2 C[C@]12CCc....
25 5KP3 - EQU C18 H18 O2 C[C@]12CCc....
26 3OWS - EQU C18 H18 O2 C[C@]12CCc....
27 1OHS - 5SD C19 H28 O2 C[C@]12CCC....
28 5UGI - EQU C18 H18 O2 C[C@]12CCc....
29 1OHP - ESR C18 H26 O2 C[C@]12CC[....
30 1QJG - EQU C18 H18 O2 C[C@]12CCc....
31 1OGZ Kd = 1.4 uM EQU C18 H18 O2 C[C@]12CCc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FFP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FFP 1 1
2 3FA 0.583333 0.809524
3 ZTN 0.407407 1
4 FP2 0.4 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FFP; Similar ligands found: 774
No: Ligand Similarity coefficient
1 PYG 1.0000
2 MBD 1.0000
3 GMN 1.0000
4 3MC 1.0000
5 2C9 1.0000
6 XYP 1.0000
7 FLM 0.9998
8 2CM 0.9992
9 2MY 0.9986
10 DUB 0.9978
11 3MH 0.9976
12 6MH 0.9967
13 3CE 0.9944
14 LXC 0.9935
15 TM4 0.9931
16 XYS 0.9840
17 94N 0.9832
18 TMT 0.9779
19 TMZ 0.9762
20 64K 0.9759
21 3ZQ 0.9735
22 4XX 0.9721
23 AZF 0.9700
24 RCO 0.9699
25 284 0.9697
26 CRS 0.9695
27 26D 0.9684
28 LG3 0.9681
29 CYT 0.9677
30 URA 0.9671
31 IFM 0.9668
32 3CH 0.9665
33 DFB 0.9659
34 23A 0.9652
35 BVF 0.9633
36 LG5 0.9633
37 BTE 0.9628
38 CAQ 0.9619
39 ADE 0.9616
40 40O 0.9614
41 8GF 0.9613
42 93Q 0.9612
43 2CH 0.9612
44 OXZ 0.9605
45 DUC 0.9605
46 AHR 0.9599
47 SEJ 0.9597
48 RSF 0.9591
49 ARA 0.9587
50 1AN 0.9586
51 8LG 0.9583
52 938 0.9578
53 ARB 0.9577
54 92Z 0.9570
55 BEW 0.9568
56 L89 0.9566
57 HTS 0.9564
58 HPA 0.9557
59 76X 0.9540
60 URF 0.9540
61 WBU 0.9537
62 B3R 0.9535
63 2AF 0.9535
64 7CZ 0.9528
65 0MK 0.9526
66 OXE 0.9524
67 6UA 0.9520
68 9HX 0.9518
69 7HP 0.9513
70 ECE 0.9511
71 6MP 0.9510
72 JIF 0.9510
73 P3K 0.9504
74 9DA 0.9503
75 1XX 0.9502
76 CIG 0.9497
77 HGQ 0.9493
78 6X8 0.9490
79 4H2 0.9489
80 7WA 0.9486
81 ADK 0.9484
82 G6D 0.9484
83 F81 0.9482
84 0TR 0.9480
85 JZ3 0.9479
86 13X 0.9478
87 HEW 0.9477
88 ES4 0.9476
89 BP1 0.9476
90 TDR 0.9474
91 HPY 0.9472
92 PM6 0.9471
93 MCT 0.9468
94 JZ0 0.9460
95 CYH 0.9459
96 M3T 0.9456
97 CXL 0.9456
98 3AY 0.9453
99 260 0.9450
100 1MC 0.9449
101 AX2 0.9449
102 25W 0.9446
103 5UC 0.9439
104 YTB 0.9433
105 ICP 0.9432
106 NK 0.9430
107 7MH 0.9430
108 4HO 0.9427
109 5ZE 0.9425
110 BR8 0.9425
111 FUC 0.9423
112 A1U 0.9421
113 HHQ 0.9416
114 285 0.9416
115 PYD 0.9410
116 4ZE 0.9410
117 WDL 0.9409
118 V1L 0.9408
119 10L 0.9405
120 MWM 0.9403
121 5AN 0.9403
122 MAK 0.9402
123 35C 0.9400
124 RIP 0.9397
125 NEQ 0.9395
126 2AC 0.9392
127 G3F 0.9392
128 F05 0.9391
129 XBZ 0.9390
130 IDH 0.9389
131 GLC 0.9387
132 XYD 0.9386
133 HAI 0.9383
134 T6C 0.9380
135 1PT 0.9375
136 IPH 0.9371
137 3MA 0.9367
138 2ZX 0.9364
139 TH0 0.9358
140 4JU 0.9355
141 BR9 0.9352
142 2ZV 0.9350
143 34A 0.9349
144 ICC 0.9348
145 DGY 0.9348
146 2MP 0.9347
147 43M 0.9346
148 R8A 0.9344
149 G2F 0.9340
150 SAL 0.9339
151 BGC 0.9338
152 KYD 0.9337
153 H3M 0.9337
154 SVN 0.9337
155 4CL 0.9337
156 VAL 0.9332
157 0R0 0.9331
158 FUL 0.9328
159 A2Q 0.9327
160 IND 0.9327
161 QOS 0.9325
162 27Y 0.9325
163 7EX 0.9325
164 4JJ 0.9324
165 KIV 0.9321
166 ERH 0.9321
167 YAN 0.9320
168 9EW 0.9320
169 PLQ 0.9319
170 LG4 0.9318
171 4AP 0.9314
172 MZG 0.9314
173 JZ2 0.9314
174 FYU 0.9312
175 275 0.9311
176 282 0.9311
177 4JO 0.9310
178 3AP 0.9309
179 BZF 0.9309
180 GVH 0.9307
181 0CT 0.9306
182 5JC 0.9306
183 2IM 0.9305
184 TM7 0.9305
185 9PO 0.9304
186 WOT 0.9303
187 JFD 0.9300
188 5MH 0.9300
189 2YU 0.9299
190 6F0 0.9297
191 ADZ 0.9296
192 PAF 0.9296
193 2MH 0.9295
194 2DR 0.9294
195 BZI 0.9294
196 286 0.9293
197 MBN 0.9293
198 HT4 0.9291
199 PCR 0.9291
200 0R1 0.9289
201 LGA 0.9288
202 8S0 0.9288
203 HQE 0.9287
204 GRE 0.9286
205 2AP 0.9286
206 MPI 0.9285
207 7B4 0.9284
208 GUN 0.9284
209 HVK 0.9283
210 IDM 0.9282
211 DEN 0.9281
212 HRZ 0.9280
213 FCA 0.9280
214 MWJ 0.9278
215 XXR 0.9278
216 F5B 0.9268
217 ISE 0.9266
218 3RK 0.9266
219 25R 0.9266
220 MB3 0.9264
221 CEJ 0.9262
222 NOJ 0.9262
223 XAN 0.9261
224 FPY 0.9258
225 PXY 0.9258
226 DA1 0.9257
227 FPN 0.9254
228 HLR 0.9254
229 GCS 0.9251
230 3XX 0.9251
231 LZ1 0.9251
232 6M1 0.9249
233 4JP 0.9241
234 9DG 0.9241
235 KSW 0.9241
236 TBP 0.9240
237 280 0.9234
238 GBD 0.9230
239 AZA 0.9229
240 OXQ 0.9228
241 HSL 0.9228
242 3DM 0.9226
243 60P 0.9225
244 HYN 0.9223
245 FUF 0.9220
246 J1Z 0.9220
247 1XN 0.9218
248 0RW 0.9217
249 6HQ 0.9214
250 EQT 0.9211
251 MFB 0.9210
252 JZ1 0.9210
253 HMH 0.9210
254 GOO 0.9209
255 DTI 0.9209
256 GXE 0.9205
257 3U4 0.9203
258 L3Q 0.9203
259 RNS 0.9200
260 IUR 0.9198
261 141 0.9196
262 24T 0.9195
263 DXX 0.9193
264 4SV 0.9192
265 A2F 0.9191
266 YHO 0.9190
267 RAM 0.9186
268 BE2 0.9185
269 4HS 0.9183
270 HMU 0.9183
271 3F0 0.9179
272 HQY 0.9179
273 8CL 0.9176
274 SWD 0.9172
275 3M0 0.9171
276 FCB 0.9170
277 6M4 0.9169
278 9TY 0.9169
279 JBK 0.9169
280 MLT 0.9168
281 ES6 0.9166
282 GAG 0.9162
283 1XM 0.9162
284 ZZT 0.9160
285 IFL 0.9159
286 6AP 0.9158
287 IGA 0.9158
288 ES1 0.9157
289 INS 0.9153
290 47J 0.9153
291 B53 0.9153
292 GIO 0.9151
293 1WD 0.9150
294 TTO 0.9150
295 DFU 0.9149
296 JPZ 0.9149
297 3HA 0.9149
298 M1A 0.9148
299 HHN 0.9148
300 39A 0.9147
301 5Q0 0.9147
302 6AI 0.9147
303 1LQ 0.9147
304 N5J 0.9145
305 EXO 0.9143
306 4JN 0.9141
307 Y8I 0.9139
308 MMZ 0.9137
309 BZX 0.9137
310 5AC 0.9134
311 JBE 0.9134
312 23W 0.9131
313 TCZ 0.9128
314 HY3 0.9127
315 AZG 0.9127
316 DBH 0.9127
317 FE DB1 0.9126
318 BOA 0.9126
319 4CH 0.9125
320 1WG 0.9124
321 NOY 0.9123
322 290 0.9122
323 1SQ 0.9121
324 4YS 0.9121
325 RM4 0.9120
326 AMC 0.9119
327 DIE 0.9118
328 HBX 0.9117
329 BML 0.9116
330 YH7 0.9114
331 E60 0.9114
332 RIB 0.9113
333 5SG 0.9112
334 82I 0.9111
335 1NP 0.9110
336 FPI 0.9110
337 C2A 0.9109
338 VNJ 0.9109
339 SYN 0.9109
340 5IQ 0.9105
341 L60 0.9103
342 3Z7 0.9102
343 MAN 0.9102
344 S76 0.9100
345 DX4 0.9100
346 KPL 0.9100
347 TLD 0.9099
348 HFB 0.9099
349 DMI 0.9098
350 ABE 0.9096
351 ALO 0.9094
352 ABN 0.9093
353 24B 0.9092
354 JZ9 0.9090
355 GAL 0.9086
356 6GU 0.9085
357 278 0.9084
358 BMA 0.9084
359 RP7 0.9084
360 CFP 0.9083
361 JKE 0.9082
362 4ZC 0.9080
363 SOE 0.9078
364 67N 0.9077
365 PIH 0.9077
366 NPY 0.9074
367 3WA 0.9071
368 2A7 0.9070
369 4AX 0.9070
370 XIX 0.9067
371 25T 0.9064
372 BCF 0.9064
373 4PW 0.9064
374 1DW 0.9064
375 6M9 0.9062
376 HH8 0.9062
377 7HQ 0.9062
378 2K4 0.9056
379 5H1 0.9055
380 JBH 0.9055
381 R8S 0.9054
382 14O 0.9054
383 1AB 0.9054
384 LCN 0.9052
385 R2B 0.9048
386 5WX 0.9048
387 4XR 0.9048
388 BBF 0.9047
389 5MB 0.9045
390 DMG 0.9044
391 EDG 0.9041
392 APY 0.9041
393 LGC 0.9039
394 AUD 0.9035
395 I3A 0.9035
396 M2H 0.9032
397 150 0.9032
398 G5V 0.9031
399 7WV 0.9030
400 4XH 0.9027
401 SER 0.9026
402 93B 0.9026
403 HHA 0.9025
404 NBE 0.9024
405 IOL 0.9024
406 DQN 0.9022
407 PY7 0.9022
408 QUZ 0.9021
409 ASO 0.9020
410 24W 0.9018
411 F60 0.9015
412 AGK 0.9014
413 ZZ3 0.9010
414 ES9 0.9010
415 2KT 0.9009
416 1MR 0.9008
417 HH5 0.9008
418 5MI 0.9007
419 FLA 0.9006
420 PYF 0.9006
421 JBQ 0.9002
422 0CU 0.9002
423 BCP 0.8999
424 3SK 0.8997
425 XQG 0.8994
426 F4Z 0.8990
427 MLA 0.8990
428 ARW 0.8988
429 H4N 0.8987
430 SJ5 0.8986
431 HGW 0.8986
432 5RG 0.8985
433 DMJ 0.8980
434 5NU 0.8979
435 MLI 0.8975
436 FK1 0.8973
437 1DH 0.8971
438 5CL 0.8970
439 11S 0.8970
440 MSN 0.8968
441 IBF 0.8967
442 GIF 0.8964
443 2XX 0.8963
444 2CQ 0.8962
445 2H5 0.8962
446 45C 0.8961
447 TC7 0.8960
448 Q88 0.8960
449 F3B 0.8958
450 O72 0.8956
451 270 0.8956
452 H76 0.8955
453 2CK 0.8952
454 C5J 0.8952
455 NMJ 0.8951
456 7VJ 0.8950
457 IP0 0.8948
458 PYJ 0.8947
459 O7U 0.8945
460 HBA 0.8939
461 FUB 0.8934
462 THR 0.8933
463 BEZ 0.8933
464 YSO 0.8932
465 BEN 0.8931
466 YCP 0.8928
467 8H8 0.8927
468 XQ0 0.8926
469 LER 0.8925
470 B57 0.8925
471 ISN 0.8924
472 GYE 0.8924
473 KIA 0.8923
474 NSP 0.8921
475 6KX 0.8920
476 SHG 0.8918
477 FOA 0.8918
478 7W4 0.8917
479 KKN 0.8916
480 P92 0.8915
481 UEG 0.8915
482 9MG 0.8912
483 JAE 0.8907
484 12M 0.8903
485 AX7 0.8902
486 ES0 0.8901
487 HXX 0.8900
488 NCA 0.8899
489 9CL 0.8898
490 8GC 0.8897
491 8NY 0.8895
492 6PC 0.8891
493 1LM 0.8889
494 PCI 0.8886
495 KG7 0.8885
496 BAM 0.8884
497 PRO 0.8884
498 5M0 0.8883
499 DSN 0.8881
500 TH7 0.8881
501 6CS 0.8881
502 LZM 0.8880
503 P2D 0.8879
504 PYC 0.8878
505 NBZ 0.8878
506 ES7 0.8877
507 CYS 0.8876
508 BDF 0.8876
509 TLA 0.8874
510 B24 0.8872
511 HJP 0.8871
512 PFB 0.8869
513 CWM 0.8868
514 KIB 0.8868
515 7NI 0.8868
516 42A 0.8868
517 HIU 0.8867
518 HZQ 0.8867
519 2MI 0.8864
520 261 0.8862
521 MNM 0.8860
522 KOJ 0.8855
523 5CU 0.8855
524 PHB 0.8854
525 GLA 0.8853
526 TAR 0.8847
527 I1N 0.8845
528 GIV 0.8842
529 UNC 0.8842
530 KJY 0.8842
531 FDB 0.8840
532 CRN 0.8840
533 265 0.8840
534 MZ0 0.8838
535 LDU 0.8835
536 GAB 0.8834
537 PXL 0.8832
538 ZWZ 0.8828
539 IJZ 0.8827
540 HLZ 0.8826
541 Z6J 0.8826
542 NIO 0.8824
543 MFU 0.8823
544 RM1 0.8821
545 PCA 0.8820
546 5WV 0.8820
547 ABV 0.8819
548 MT0 0.8818
549 GLF 0.8817
550 4CS 0.8816
551 2PC 0.8816
552 FOT 0.8816
553 KBG 0.8815
554 DAB 0.8813
555 ASP 0.8808
556 BNZ 0.8806
557 5HN 0.8804
558 3NT 0.8804
559 B20 0.8803
560 4M0 0.8802
561 4VP 0.8798
562 G4D 0.8795
563 GAF 0.8791
564 DOB 0.8791
565 URQ 0.8790
566 BHA 0.8787
567 MRY 0.8786
568 PZA 0.8786
569 GTQ 0.8785
570 FA0 0.8783
571 495 0.8782
572 54G 0.8781
573 LMR 0.8781
574 B55 0.8781
575 TFU 0.8778
576 3PY 0.8778
577 2D0 0.8777
578 0PY 0.8776
579 PAV 0.8772
580 LYL 0.8771
581 AMT 0.8768
582 FPK 0.8768
583 PXM 0.8767
584 42C 0.8767
585 HX3 0.8767
586 NTN 0.8763
587 MMA 0.8763
588 PA1 0.8762
589 32X 0.8760
590 948 0.8760
591 Q6T 0.8758
592 1P3 0.8756
593 3AB 0.8755
594 X6X 0.8754
595 M1E 0.8754
596 5MK 0.8754
597 PE0 0.8753
598 DBJ 0.8749
599 BTY 0.8749
600 DHQ 0.8749
601 3IT 0.8748
602 GXL 0.8746
603 ITN 0.8746
604 TP5 0.8745
605 2EC 0.8744
606 BAQ 0.8743
607 9TZ 0.8743
608 NTM 0.8742
609 VGL 0.8741
610 12B 0.8741
611 ALL 0.8739
612 9X7 0.8739
613 TEP 0.8737
614 3HB 0.8737
615 IPZ 0.8737
616 4HM 0.8736
617 URC 0.8734
618 AFR 0.8734
619 AZ8 0.8733
620 53C 0.8728
621 HIO 0.8728
622 OVV 0.8726
623 MZB 0.8726
624 1AC 0.8724
625 OXL 0.8720
626 TZC 0.8719
627 COU 0.8719
628 XM0 0.8717
629 QWN 0.8716
630 DTL 0.8716
631 SX1 0.8715
632 FP1 0.8715
633 PHZ 0.8714
634 NVI 0.8714
635 OXM 0.8713
636 JZ4 0.8713
637 SS1 0.8712
638 1LN 0.8711
639 DCD 0.8711
640 CGB 0.8710
641 CIZ 0.8709
642 URP 0.8709
643 3MT 0.8709
644 3DO 0.8708
645 TFB 0.8708
646 03V 0.8707
647 P1R 0.8707
648 UNU 0.8706
649 4AA 0.8706
650 MEW 0.8704
651 C2U 0.8703
652 RPQ 0.8703
653 3ID 0.8702
654 AKH 0.8702
655 7VS 0.8702
656 8IG 0.8701
657 LRH 0.8700
658 WCE 0.8699
659 BP9 0.8698
660 DGJ 0.8698
661 PYQ 0.8698
662 FBT 0.8698
663 HUI 0.8695
664 1P7 0.8689
665 5OB 0.8688
666 5B1 0.8688
667 5JL 0.8687
668 DTU 0.8687
669 M0Q 0.8686
670 JBN 0.8686
671 8TX 0.8686
672 QSC 0.8685
673 PHT 0.8685
674 DIU 0.8684
675 3BZ 0.8681
676 WOO 0.8680
677 2LP 0.8676
678 F0J 0.8674
679 DMD 0.8673
680 MBG 0.8672
681 PBE 0.8670
682 KLW 0.8670
683 RUU 0.8668
684 A7W 0.8668
685 FBA 0.8667
686 BRT 0.8667
687 FRU 0.8666
688 32O 0.8664
689 ABA 0.8663
690 OHG 0.8663
691 4FS 0.8662
692 LSA 0.8659
693 4JL 0.8658
694 HSE 0.8658
695 6LW 0.8653
696 ORO 0.8653
697 HQT 0.8653
698 IF7 0.8652
699 DOR 0.8650
700 OXC 0.8649
701 H8N 0.8649
702 1GN 0.8647
703 PBR 0.8647
704 12Q 0.8646
705 KJH 0.8644
706 149 0.8644
707 1U6 0.8644
708 PYR 0.8642
709 C21 0.8642
710 NDM 0.8641
711 JUG 0.8640
712 XUL 0.8640
713 2AQ 0.8639
714 SS2 0.8636
715 KP6 0.8636
716 V55 0.8636
717 5JQ 0.8634
718 QXW 0.8633
719 2FG 0.8633
720 3TR 0.8633
721 AQO 0.8630
722 M5K 0.8629
723 IPB 0.8624
724 JB5 0.8624
725 ATQ 0.8624
726 75K 0.8623
727 34V 0.8622
728 7W1 0.8620
729 MRW 0.8620
730 BVC 0.8618
731 VGD 0.8618
732 4HC 0.8617
733 FH2 0.8613
734 0P6 0.8613
735 EA1 0.8611
736 BDP 0.8610
737 DRL 0.8610
738 4JM 0.8609
739 5VM 0.8606
740 EUG 0.8604
741 GBL 0.8603
742 K5W 0.8602
743 BSX 0.8600
744 ES5 0.8599
745 AC0 0.8598
746 FDK 0.8595
747 4M4 0.8594
748 94B 0.8593
749 HOW 0.8587
750 OAA 0.8585
751 5QX 0.8584
752 ASN 0.8583
753 CN0 0.8582
754 AKB 0.8581
755 PRY 0.8580
756 2AI 0.8580
757 BZ3 0.8579
758 680 0.8579
759 JAB 0.8579
760 ET2 0.8575
761 AJ2 0.8574
762 37T 0.8567
763 DCY 0.8566
764 G1O 0.8561
765 1P8 0.8555
766 SWA 0.8550
767 OXD 0.8550
768 36R 0.8545
769 OCH 0.8545
770 SF9 0.8543
771 MO8 0.8528
772 CWS 0.8528
773 MR3 0.8520
774 PYM 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AI1; Ligand: EQU; 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: 5ai1.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5AI1; Ligand: EQU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5ai1.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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