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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4RM2	1.77 Å	EC: 6.-.-.-	CRYSTAL STRUCTURE OF A BENZOATE COENZYME A LIGASE WITH 2-FLU BENZOIC ACID	RHODOPSEUDOMONAS PALUSTRIS	SUBSTRATE SPECIFICITY KINETICS LIGASE
Ref.:	KINETICALLY AND CRYSTALLOGRAPHICALLY GUIDED MUTATIO BENZOATE COA LIGASE (BADA) ELUCIDATE MECHANISM AND SUBSTRATE PERMISSIVITY. BIOCHEMISTRY V. 54 6230 2015

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
3U4	B:1000; A:1000; A:1001;	Valid; Valid; Valid;	none; none; none;	submit data		140.112	C7 H5 F O2	c1ccc...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4RLQ	1.63 Å	EC: 6.-.-.-	CRYSTAL STRUCTURE OF A BENZOATE COENZYME A LIGASE WITH O-TOL	RHODOPSEUDOMONAS PALUSTRIS	SUBSTRATE SPECIFICITY KINETICS LIGASE
Ref.:	KINETICALLY AND CRYSTALLOGRAPHICALLY GUIDED MUTATIO BENZOATE COA LIGASE (BADA) ELUCIDATE MECHANISM AND SUBSTRATE PERMISSIVITY. BIOCHEMISTRY V. 54 6230 2015

Members (6)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 13 families.
1	4RLQ	-	3SK	C8 H8 O2	Cc1ccccc1C....
2	4RM2	-	3U4	C7 H5 F O2	c1ccc(c(c1....
3	4RMN	-	C21	C5 H4 O2 S	c1cc(sc1)C....
4	4RM3	-	FOA	C5 H4 O3	c1cc(oc1)C....
5	4RLF	-	4MA	C8 H8 O2	Cc1ccc(cc1....
6	4ZJZ	-	OOB	C17 H18 N5 O8 P	c1ccc(cc1)....

70% Homology Family (7)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 13 families.
1	4RLQ	-	3SK	C8 H8 O2	Cc1ccccc1C....
2	4RM2	-	3U4	C7 H5 F O2	c1ccc(c(c1....
3	4RMN	-	C21	C5 H4 O2 S	c1cc(sc1)C....
4	4RM3	-	FOA	C5 H4 O3	c1cc(oc1)C....
5	4RLF	-	4MA	C8 H8 O2	Cc1ccc(cc1....
6	4ZJZ	-	OOB	C17 H18 N5 O8 P	c1ccc(cc1)....
7	2V7B	-	BEZ	C7 H6 O2	c1ccc(cc1)....

50% Homology Family (7)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 12 families.
1	4RLQ	-	3SK	C8 H8 O2	Cc1ccccc1C....
2	4RM2	-	3U4	C7 H5 F O2	c1ccc(c(c1....
3	4RMN	-	C21	C5 H4 O2 S	c1cc(sc1)C....
4	4RM3	-	FOA	C5 H4 O3	c1cc(oc1)C....
5	4RLF	-	4MA	C8 H8 O2	Cc1ccc(cc1....
6	4ZJZ	-	OOB	C17 H18 N5 O8 P	c1ccc(cc1)....
7	2V7B	-	BEZ	C7 H6 O2	c1ccc(cc1)....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: 3U4; Similar ligands found: 7

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	3U4	1	1
2	EQA	0.512821	0.62963
3	7WV	0.5	0.888889
4	3F0	0.485714	0.62963
5	22J	0.454545	0.73913
6	3SK	0.454545	0.666667
7	6F0	0.405405	0.607143

Similar Ligands (3D)

Ligand no: 1; Ligand: 3U4; Similar ligands found: 1353

No:	Ligand	Similarity coefficient
1	SAL	1.0000
2	ES6	1.0000
3	BE2	1.0000
4	4SV	1.0000
5	JBE	1.0000
6	VNJ	0.9983
7	JKE	0.9898
8	SVN	0.9887
9	IP0	0.9874
10	1WD	0.9869
11	L3Q	0.9820
12	6PC	0.9794
13	BEZ	0.9785
14	BEN	0.9784
15	6M4	0.9781
16	5CU	0.9780
17	BAM	0.9772
18	5RG	0.9770
19	F05	0.9768
20	5NU	0.9762
21	NCA	0.9762
22	YCP	0.9753
23	6M9	0.9746
24	9EW	0.9741
25	DOB	0.9732
26	5AC	0.9732
27	NBZ	0.9726
28	NIO	0.9722
29	GRE	0.9721
30	3HA	0.9718
31	JZ3	0.9713
32	5M0	0.9711
33	GTQ	0.9710
34	0RW	0.9709
35	PZA	0.9709
36	R8A	0.9700
37	HHA	0.9700
38	QUZ	0.9700
39	RSF	0.9699
40	NTN	0.9697
41	NPY	0.9695
42	JBK	0.9694
43	HLR	0.9691
44	25W	0.9691
45	6M1	0.9687
46	1PT	0.9683
47	60P	0.9678
48	NK	0.9675
49	8GC	0.9675
50	DBH	0.9672
51	VGL	0.9672
52	FA0	0.9669
53	FP1	0.9668
54	54G	0.9667
55	ADE	0.9667
56	SS2	0.9666
57	6CS	0.9666
58	UNU	0.9662
59	BHA	0.9651
60	I3A	0.9651
61	DEN	0.9651
62	GAG	0.9648
63	HPA	0.9647
64	G6D	0.9645
65	SS1	0.9640
66	GYE	0.9638
67	286	0.9637
68	2ZV	0.9637
69	2CK	0.9636
70	XYP	0.9636
71	4M0	0.9633
72	KYD	0.9633
73	BGC	0.9632
74	QSC	0.9629
75	1NP	0.9629
76	AC0	0.9627
77	M1A	0.9627
78	GBD	0.9626
79	XAN	0.9626
80	SHA	0.9622
81	9TZ	0.9620
82	PBC	0.9618
83	LXC	0.9616
84	1LQ	0.9612
85	3DO	0.9610
86	FE DB1	0.9610
87	1LM	0.9610
88	3M0	0.9609
89	24W	0.9606
90	HY3	0.9606
91	GUN	0.9601
92	8EZ	0.9598
93	N5J	0.9597
94	1SQ	0.9597
95	5Q0	0.9597
96	5IQ	0.9597
97	OXQ	0.9597
98	9DG	0.9596
99	BNS	0.9594
100	0R0	0.9592
101	BTE	0.9592
102	24B	0.9592
103	BZX	0.9589
104	4YS	0.9589
105	BZI	0.9589
106	AZA	0.9589
107	O72	0.9588
108	67N	0.9587
109	AHR	0.9586
110	IND	0.9586
111	3AB	0.9585
112	BZF	0.9585
113	5WV	0.9585
114	7HQ	0.9580
115	9DA	0.9578
116	JPZ	0.9575
117	9HX	0.9574
118	6MP	0.9574
119	FYU	0.9574
120	ES1	0.9573
121	5SG	0.9569
122	53C	0.9568
123	141	0.9567
124	14O	0.9566
125	RSO	0.9563
126	HQY	0.9561
127	A2F	0.9560
128	4CS	0.9560
129	SX1	0.9559
130	5H1	0.9558
131	5MK	0.9558
132	SJ5	0.9557
133	GLC	0.9555
134	FBV	0.9553
135	JBH	0.9551
136	DFB	0.9551
137	0CT	0.9550
138	IPB	0.9548
139	GVH	0.9548
140	LZ1	0.9547
141	2LP	0.9544
142	NPO	0.9544
143	JZ1	0.9542
144	HH8	0.9540
145	JZ9	0.9537
146	IDM	0.9537
147	7HP	0.9537
148	M58	0.9536
149	3HB	0.9535
150	FB1	0.9535
151	7N0	0.9534
152	IT2	0.9534
153	IGA	0.9532
154	GAB	0.9532
155	2K4	0.9532
156	6AI	0.9531
157	SYG	0.9528
158	CFP	0.9526
159	F60	0.9526
160	7WA	0.9526
161	IFM	0.9525
162	0R1	0.9525
163	MPI	0.9524
164	4JP	0.9520
165	LCN	0.9514
166	G2F	0.9514
167	DX4	0.9514
168	BP1	0.9514
169	PHB	0.9514
170	10L	0.9513
171	KKN	0.9513
172	5HN	0.9512
173	1LN	0.9511
174	RM1	0.9510
175	JZ7	0.9509
176	IPZ	0.9509
177	G5V	0.9507
178	4XH	0.9507
179	AZF	0.9506
180	0TR	0.9506
181	5RN	0.9505
182	6AP	0.9504
183	ISN	0.9500
184	ASO	0.9498
185	1XN	0.9498
186	T9G	0.9497
187	JAE	0.9491
188	HMH	0.9490
189	ES4	0.9490
190	AZG	0.9489
191	COU	0.9486
192	BE7	0.9485
193	HMU	0.9484
194	ADZ	0.9484
195	3NT	0.9482
196	ISZ	0.9479
197	OXZ	0.9479
198	FPK	0.9479
199	HIO	0.9478
200	IFL	0.9478
201	5MB	0.9478
202	290	0.9477
203	6GU	0.9475
204	SRT	0.9472
205	BHO	0.9472
206	NOJ	0.9472
207	DHB	0.9472
208	261	0.9470
209	4NC	0.9470
210	SWD	0.9468
211	2DR	0.9468
212	OAA	0.9468
213	282	0.9467
214	OVV	0.9466
215	F5B	0.9466
216	PAB	0.9465
217	EA1	0.9460
218	23A	0.9458
219	PM6	0.9458
220	1Y6	0.9457
221	5MI	0.9455
222	03V	0.9452
223	4JT	0.9451
224	TP5	0.9451
225	HY1	0.9450
226	5OB	0.9447
227	ES7	0.9446
228	1P7	0.9445
229	XM0	0.9445
230	TIU	0.9441
231	HBD	0.9441
232	HH5	0.9440
233	7W4	0.9439
234	TH7	0.9438
235	1XM	0.9438
236	32X	0.9437
237	1P3	0.9435
238	NMJ	0.9435
239	XYS	0.9433
240	7NI	0.9432
241	7CZ	0.9432
242	URF	0.9429
243	H42	0.9427
244	LGC	0.9424
245	ABN	0.9424
246	TH0	0.9424
247	KOJ	0.9423
248	Q88	0.9422
249	RIB	0.9421
250	G3F	0.9421
251	BSX	0.9418
252	AMC	0.9418
253	3BZ	0.9417
254	WCE	0.9416
255	CN0	0.9416
256	3ID	0.9415
257	11S	0.9414
258	7B4	0.9414
259	CFI	0.9413
260	EQT	0.9413
261	GIO	0.9413
262	P72	0.9413
263	NOY	0.9410
264	SYN	0.9410
265	I1E	0.9408
266	1DW	0.9407
267	MLT	0.9407
268	HBA	0.9407
269	9MG	0.9404
270	2CQ	0.9404
271	MRZ	0.9403
272	ES9	0.9403
273	DBJ	0.9403
274	HJP	0.9399
275	NIZ	0.9399
276	H4N	0.9397
277	MCT	0.9397
278	BRT	0.9396
279	BOA	0.9396
280	2AQ	0.9394
281	FOA	0.9394
282	AX7	0.9393
283	150	0.9393
284	B57	0.9391
285	TTL	0.9390
286	XXR	0.9389
287	E7Z	0.9387
288	DMD	0.9386
289	12Q	0.9385
290	ICO	0.9384
291	3PF	0.9382
292	LZM	0.9380
293	XQ0	0.9379
294	98J	0.9377
295	TLA	0.9377
296	FEH	0.9377
297	270	0.9377
298	OCH	0.9376
299	KBG	0.9376
300	ZZT	0.9376
301	ES5	0.9375
302	42A	0.9375
303	0CU	0.9374
304	YH7	0.9373
305	HXX	0.9373
306	4FS	0.9372
307	ADK	0.9371
308	Q6T	0.9371
309	8H8	0.9370
310	AZ8	0.9370
311	FK1	0.9370
312	3FH	0.9370
313	UNC	0.9369
314	5B1	0.9369
315	PBZ	0.9369
316	3OC	0.9369
317	ABV	0.9368
318	3Z7	0.9367
319	MWM	0.9367
320	Z6J	0.9365
321	HBX	0.9364
322	Z82	0.9364
323	PE0	0.9363
324	FBT	0.9363
325	826	0.9363
326	R9S	0.9363
327	2FY	0.9362
328	FOT	0.9362
329	0P6	0.9361
330	KJH	0.9360
331	4AA	0.9359
332	4HC	0.9359
333	280	0.9359
334	BZ3	0.9359
335	NSP	0.9358
336	4MA	0.9358
337	RAM	0.9357
338	1WG	0.9357
339	DHQ	0.9357
340	C21	0.9357
341	8S0	0.9356
342	JLZ	0.9352
343	FAN	0.9351
344	PBE	0.9348
345	BDP	0.9346
346	NEQ	0.9346
347	PRO	0.9346
348	ASC	0.9345
349	ES0	0.9345
350	4ZE	0.9344
351	FPI	0.9344
352	3WA	0.9343
353	5QX	0.9342
354	B53	0.9341
355	PXL	0.9341
356	HQT	0.9341
357	R8V	0.9340
358	1AB	0.9339
359	FUL	0.9339
360	Q24	0.9335
361	JZ4	0.9334
362	EXO	0.9333
363	PRY	0.9332
364	IJZ	0.9332
365	M1E	0.9332
366	WBU	0.9332
367	PYC	0.9332
368	ISE	0.9330
369	M1Q	0.9329
370	PYG	0.9329
371	INO	0.9328
372	HZP	0.9327
373	FDB	0.9327
374	MBD	0.9327
375	P9P	0.9326
376	CWM	0.9326
377	7VS	0.9325
378	TDR	0.9324
379	J1Z	0.9324
380	O7U	0.9323
381	40E	0.9323
382	4XR	0.9323
383	LMR	0.9322
384	AC6	0.9322
385	C2U	0.9321
386	SWA	0.9321
387	MEW	0.9321
388	DIU	0.9321
389	CTS	0.9320
390	APY	0.9319
391	EYK	0.9318
392	7W1	0.9318
393	SMV	0.9318
394	DMJ	0.9317
395	NNO	0.9315
396	4HO	0.9315
397	2PC	0.9315
398	J9W	0.9314
399	1MC	0.9314
400	M2K	0.9313
401	3IT	0.9310
402	265	0.9310
403	FBM	0.9309
404	AJ2	0.9308
405	BCP	0.9307
406	1MR	0.9307
407	M5K	0.9306
408	XBZ	0.9305
409	DYA	0.9304
410	0MK	0.9304
411	MYJ	0.9304
412	4A3	0.9302
413	MT0	0.9302
414	12M	0.9301
415	3Z8	0.9300
416	P92	0.9300
417	42C	0.9299
418	2AC	0.9297
419	JIF	0.9297
420	47J	0.9297
421	JB5	0.9297
422	LT2	0.9295
423	ARB	0.9295
424	275	0.9293
425	PCA	0.9291
426	PY7	0.9291
427	51F	0.9291
428	EDG	0.9289
429	R2B	0.9289
430	FHB	0.9289
431	TZC	0.9289
432	AQO	0.9288
433	XX2	0.9287
434	PYF	0.9287
435	A7W	0.9286
436	8NY	0.9285
437	DBX	0.9284
438	XYL	0.9283
439	RB5	0.9283
440	4RW	0.9282
441	THE	0.9281
442	2YU	0.9281
443	174	0.9281
444	JBQ	0.9280
445	DS0	0.9278
446	2MI	0.9277
447	K5W	0.9276
448	273	0.9276
449	NBE	0.9275
450	PMB	0.9275
451	CWS	0.9275
452	MAK	0.9272
453	3XX	0.9271
454	WOO	0.9271
455	GCS	0.9270
456	RHU	0.9270
457	FB2	0.9270
458	5WX	0.9270
459	93K	0.9269
460	F9P	0.9268
461	HZQ	0.9268
462	XYD	0.9266
463	2HO	0.9266
464	A1U	0.9266
465	3HM	0.9266
466	HT4	0.9266
467	FLM	0.9266
468	4Z4	0.9265
469	1DJ	0.9265
470	278	0.9264
471	5JC	0.9264
472	PZI	0.9263
473	GIF	0.9262
474	5QY	0.9262
475	284	0.9262
476	82I	0.9261
477	MS9	0.9260
478	M1H	0.9260
479	NDH	0.9258
480	2MP	0.9258
481	34A	0.9258
482	GMN	0.9256
483	RCO	0.9256
484	3FA	0.9255
485	MNM	0.9254
486	KBB	0.9254
487	SW7	0.9254
488	KUF	0.9254
489	URA	0.9253
490	ODO	0.9252
491	LSA	0.9252
492	P3K	0.9251
493	INS	0.9251
494	TZE	0.9250
495	FPY	0.9250
496	39A	0.9250
497	JBN	0.9247
498	CRS	0.9245
499	92K	0.9244
500	DHK	0.9241
501	TEO	0.9240
502	5MH	0.9240
503	5XC	0.9239
504	45C	0.9238
505	14J	0.9238
506	3ZQ	0.9235
507	UGC	0.9234
508	LYL	0.9233
509	ROR	0.9233
510	AKH	0.9232
511	URC	0.9231
512	3CH	0.9231
513	PYJ	0.9230
514	CHB	0.9230
515	B24	0.9229
516	HLZ	0.9227
517	FQI	0.9227
518	CTL	0.9226
519	ASP	0.9226
520	8CM	0.9225
521	2D0	0.9225
522	G3E	0.9225
523	2AL	0.9225
524	MNN	0.9224
525	495	0.9224
526	2EC	0.9222
527	3MA	0.9221
528	ICP	0.9221
529	SKA	0.9221
530	CYT	0.9221
531	SVD	0.9220
532	GAL	0.9219
533	M0W	0.9219
534	M6N	0.9219
535	MXN	0.9218
536	AGK	0.9218
537	4CL	0.9218
538	PRS	0.9218
539	XQG	0.9218
540	R8S	0.9215
541	TAR	0.9214
542	PYD	0.9214
543	3RK	0.9214
544	TM7	0.9214
545	F81	0.9214
546	MZG	0.9214
547	LG3	0.9213
548	173	0.9212
549	3MC	0.9211
550	DIN	0.9210
551	43M	0.9210
552	2C9	0.9210
553	RM4	0.9209
554	9TW	0.9209
555	C2A	0.9209
556	JZ5	0.9209
557	MRW	0.9208
558	260	0.9207
559	9CL	0.9206
560	CRN	0.9206
561	MZB	0.9205
562	F4Z	0.9204
563	AZ9	0.9203
564	FFP	0.9203
565	R1X	0.9202
566	TC7	0.9202
567	ASN	0.9201
568	MAN	0.9201
569	2TQ	0.9201
570	URP	0.9200
571	BVF	0.9197
572	IMR	0.9195
573	5UC	0.9195
574	GCU	0.9195
575	DPR	0.9195
576	2MY	0.9195
577	4JJ	0.9194
578	NTM	0.9193
579	7MH	0.9192
580	ALL	0.9191
581	329	0.9191
582	HDH	0.9190
583	QY9	0.9190
584	EHM	0.9190
585	D48	0.9190
586	26D	0.9189
587	RXA	0.9189
588	NQ	0.9188
589	51R	0.9187
590	QWN	0.9187
591	NXA	0.9186
592	KIV	0.9186
593	IDH	0.9186
594	40O	0.9185
595	3CE	0.9185
596	LG5	0.9185
597	B55	0.9184
598	HQD	0.9184
599	271	0.9183
600	MRY	0.9181
601	PRZ	0.9181
602	4ZC	0.9180
603	PYQ	0.9180
604	5RO	0.9180
605	JUG	0.9180
606	URQ	0.9179
607	X05	0.9179
608	9TY	0.9179
609	T6C	0.9179
610	HYP	0.9178
611	JZ2	0.9178
612	6MH	0.9178
613	ORO	0.9176
614	37T	0.9176
615	AFR	0.9173
616	069	0.9171
617	TEP	0.9171
618	CAQ	0.9170
619	J9Q	0.9169
620	2CM	0.9169
621	DUB	0.9169
622	ZXD	0.9168
623	SE2	0.9168
624	2XX	0.9167
625	LDU	0.9166
626	BTY	0.9166
627	4JU	0.9165
628	4JL	0.9164
629	PEL	0.9164
630	XCZ	0.9163
631	23J	0.9161
632	FBA	0.9161
633	FUF	0.9161
634	4P5	0.9160
635	4NG	0.9159
636	FBW	0.9158
637	G4D	0.9156
638	8TX	0.9156
639	OHP	0.9156
640	UY7	0.9155
641	HX3	0.9154
642	86J	0.9154
643	FUB	0.9153
644	MO8	0.9153
645	PEA	0.9152
646	TZL	0.9152
647	ZBT	0.9152
648	X09	0.9152
649	2HQ	0.9152
650	SOE	0.9150
651	OXC	0.9150
652	7MU	0.9150
653	DOR	0.9149
654	FCA	0.9148
655	XBT	0.9147
656	BR8	0.9147
657	FCR	0.9146
658	PAF	0.9145
659	RMN	0.9144
660	ET2	0.9144
661	KJY	0.9144
662	ECE	0.9144
663	MWJ	0.9144
664	1DU	0.9144
665	0W8	0.9143
666	KT7	0.9143
667	45L	0.9142
668	DGJ	0.9141
669	4VP	0.9140
670	WOT	0.9140
671	BMA	0.9140
672	3DM	0.9140
673	9X7	0.9139
674	ALO	0.9139
675	2CH	0.9138
676	PHT	0.9138
677	TTY	0.9138
678	7ZE	0.9138
679	EKZ	0.9138
680	IF7	0.9137
681	4JM	0.9136
682	QOS	0.9136
683	MFB	0.9136
684	2H5	0.9134
685	IHB	0.9134
686	27Y	0.9133
687	KP6	0.9132
688	64K	0.9132
689	KLW	0.9132
690	1AN	0.9130
691	CXF	0.9129
692	13X	0.9129
693	RNS	0.9128
694	DUC	0.9128
695	6UA	0.9127
696	5AN	0.9127
697	3MB	0.9126
698	ZWZ	0.9126
699	PLQ	0.9125
700	5WY	0.9125
701	JAB	0.9125
702	2MN	0.9123
703	3MH	0.9123
704	92Z	0.9123
705	717	0.9123
706	UYA	0.9122
707	GCB	0.9122
708	1P8	0.9122
709	J5I	0.9122
710	2MH	0.9122
711	IV2	0.9121
712	8OZ	0.9120
713	FUC	0.9120
714	MWP	0.9120
715	DIE	0.9120
716	G1O	0.9120
717	2RH	0.9119
718	Z5P	0.9119
719	54D	0.9119
720	JFD	0.9119
721	4JO	0.9119
722	5GU	0.9119
723	4HM	0.9118
724	FCB	0.9118
725	GOO	0.9117
726	LRH	0.9117
727	ABE	0.9117
728	OVM	0.9117
729	TPA	0.9117
730	TLD	0.9117
731	GLA	0.9116
732	SYV	0.9116
733	BEW	0.9115
734	938	0.9114
735	D1X	0.9113
736	BR9	0.9113
737	AW5	0.9111
738	GZL	0.9110
739	DRL	0.9110
740	RIP	0.9109
741	23W	0.9109
742	XUL	0.9108
743	97T	0.9108
744	5DI	0.9108
745	DAS	0.9107
746	HTS	0.9107
747	8IG	0.9106
748	VAL	0.9106
749	L89	0.9106
750	OK7	0.9105
751	IFP	0.9105
752	PA1	0.9105
753	T2C	0.9105
754	PAC	0.9104
755	H76	0.9104
756	YSO	0.9104
757	LG4	0.9104
758	ARA	0.9102
759	1DQ	0.9102
760	THR	0.9101
761	M2H	0.9101
762	93Q	0.9101
763	HQE	0.9101
764	MR1	0.9099
765	F0J	0.9099
766	IUR	0.9099
767	948	0.9098
768	FP2	0.9098
769	8LG	0.9097
770	8GF	0.9097
771	ITN	0.9097
772	3SL	0.9096
773	GDE	0.9096
774	CIG	0.9096
775	KJU	0.9095
776	EVA	0.9095
777	XLS	0.9093
778	HSE	0.9092
779	HFB	0.9092
780	IHG	0.9092
781	FBB	0.9091
782	AX2	0.9091
783	B60	0.9090
784	OXE	0.9090
785	S76	0.9090
786	SHG	0.9089
787	QSB	0.9089
788	75K	0.9087
789	VK3	0.9087
790	CEE	0.9086
791	QBK	0.9086
792	5JQ	0.9086
793	MSN	0.9084
794	DFU	0.9083
795	2AF	0.9083
796	BP9	0.9083
797	JFJ	0.9082
798	5CL	0.9082
799	MAE	0.9081
800	CLW	0.9080
801	0N7	0.9079
802	7WG	0.9079
803	VGD	0.9078
804	HGQ	0.9078
805	QXW	0.9077
806	QDK	0.9076
807	293	0.9076
808	1DV	0.9076
809	OTR	0.9075
810	UEG	0.9075
811	COI	0.9074
812	ES2	0.9074
813	PHU	0.9070
814	BEA	0.9070
815	TSU	0.9070
816	6X8	0.9069
817	PXM	0.9069
818	ILE	0.9069
819	94B	0.9069
820	6LW	0.9069
821	GLF	0.9068
822	FPN	0.9068
823	0LH	0.9067
824	LNR	0.9065
825	L99	0.9065
826	ICF	0.9064
827	3AY	0.9064
828	B3R	0.9064
829	PEZ	0.9064
830	TFB	0.9063
831	FH2	0.9062
832	AAS	0.9062
833	BDF	0.9061
834	36R	0.9060
835	DA1	0.9060
836	SAN	0.9060
837	HIS	0.9059
838	34D	0.9058
839	AHB	0.9057
840	PEP	0.9057
841	4YO	0.9056
842	INE	0.9056
843	PCR	0.9056
844	CIZ	0.9055
845	TMZ	0.9054
846	35C	0.9054
847	EUG	0.9053
848	4M4	0.9053
849	K2T	0.9053
850	76X	0.9053
851	VNL	0.9053
852	N2Z	0.9051
853	RNT	0.9051
854	ICC	0.9051
855	JYD	0.9049
856	0HO	0.9049
857	J9T	0.9049
858	HEW	0.9049
859	QPR	0.9048
860	SMN	0.9045
861	QX2	0.9045
862	3R6	0.9045
863	F12	0.9044
864	RBL	0.9043
865	M3T	0.9043
866	FRU	0.9042
867	2ZM	0.9041
868	NID	0.9041
869	GRO	0.9040
870	4H2	0.9040
871	URS	0.9039
872	5VM	0.9039
873	9RW	0.9038
874	HPY	0.9038
875	GLT	0.9038
876	XAZ	0.9038
877	WDL	0.9038
878	UAN	0.9038
879	LDP	0.9036
880	GOG	0.9036
881	52C	0.9034
882	AC5	0.9034
883	69O	0.9033
884	FDK	0.9032
885	OW4	0.9032
886	RPQ	0.9031
887	FLA	0.9031
888	25R	0.9029
889	PBA	0.9028
890	4FA	0.9027
891	2A9	0.9027
892	QWW	0.9027
893	3MG	0.9027
894	5JL	0.9027
895	V55	0.9026
896	680	0.9026
897	LEU	0.9026
898	C2B	0.9025
899	SPA	0.9025
900	GJZ	0.9025
901	SD4	0.9024
902	PXY	0.9024
903	4XX	0.9024
904	AUD	0.9022
905	5ZE	0.9021
906	2CL	0.9021
907	YTB	0.9020
908	2ZQ	0.9019
909	I1N	0.9019
910	ADA	0.9017
911	6JN	0.9016
912	HSO	0.9015
913	YRL	0.9013
914	1XX	0.9012
915	MUA	0.9011
916	X0V	0.9010
917	3NY	0.9010
918	NDM	0.9010
919	TAG	0.9010
920	M6W	0.9006
921	AKB	0.9006
922	B0D	0.9005
923	SKM	0.9005
924	XIY	0.9005
925	CFF	0.9004
926	2FG	0.9000
927	4ME	0.8999
928	6NT	0.8999
929	GAF	0.8997
930	TM4	0.8995
931	AEF	0.8994
932	QSH	0.8993
933	A09	0.8992
934	44V	0.8991
935	MAQ	0.8991
936	0JD	0.8990
937	Y8I	0.8990
938	SNE	0.8989
939	2A7	0.8988
940	258	0.8987
941	BCF	0.8987
942	PEQ	0.8985
943	0V5	0.8985
944	4JQ	0.8985
945	YHO	0.8983
946	8ZE	0.8983
947	BK9	0.8980
948	B62	0.8979
949	IBF	0.8979
950	JA8	0.8978
951	AL0	0.8977
952	IOM	0.8976
953	H62	0.8975
954	2BG	0.8975
955	CYH	0.8975
956	TSS	0.8974
957	N7P	0.8972
958	4J8	0.8972
959	GCW	0.8971
960	HCS	0.8970
961	H8N	0.8970
962	JZ0	0.8969
963	HAI	0.8967
964	LKA	0.8966
965	M4T	0.8965
966	9YL	0.8964
967	GZ3	0.8964
968	CXL	0.8964
969	4P0	0.8963
970	6VD	0.8962
971	2LY	0.8961
972	TBP	0.8961
973	YAN	0.8960
974	BML	0.8960
975	ERH	0.8958
976	0HN	0.8957
977	GTR	0.8956
978	8EW	0.8956
979	149	0.8955
980	DHS	0.8955
981	4CH	0.8955
982	NYL	0.8953
983	GXL	0.8952
984	FA1	0.8952
985	APZ	0.8952
986	FBS	0.8951
987	ARW	0.8949
988	6KX	0.8947
989	GIV	0.8947
990	XHP	0.8947
991	BBF	0.8947
992	TMT	0.8945
993	263	0.8944
994	7VJ	0.8944
995	SC2	0.8944
996	PCI	0.8944
997	MZW	0.8944
998	1F1	0.8943
999	MQN	0.8943
1000	3A9	0.8943
1001	PDC	0.8943
1002	32O	0.8941
1003	X6X	0.8941
1004	F31	0.8941
1005	F9Y	0.8940
1006	5NI	0.8940
1007	94N	0.8940
1008	HHQ	0.8939
1009	2AS	0.8938
1010	DQN	0.8938
1011	SPV	0.8937
1012	4HS	0.8937
1013	HSM	0.8935
1014	0TU	0.8935
1015	12B	0.8934
1016	RUU	0.8933
1017	RBJ	0.8932
1018	BCU	0.8932
1019	6HQ	0.8931
1020	0FO	0.8928
1021	3AL	0.8927
1022	ZZ3	0.8927
1023	4PW	0.8927
1024	N8P	0.8926
1025	QIC	0.8926
1026	SOR	0.8924
1027	KPL	0.8923
1028	OEM	0.8921
1029	SRO	0.8920
1030	4FH	0.8920
1031	G2H	0.8920
1032	8WT	0.8920
1033	MT5	0.8919
1034	BVC	0.8918
1035	1SA	0.8918
1036	9KT	0.8918
1037	SR1	0.8917
1038	1GN	0.8917
1039	4NM	0.8917
1040	4TU	0.8916
1041	F3B	0.8916
1042	N2I	0.8915
1043	E5X	0.8915
1044	O2A	0.8914
1045	AJV	0.8912
1046	PFB	0.8912
1047	IPM	0.8911
1048	DHR	0.8911
1049	OMD	0.8910
1050	OVP	0.8909
1051	SIN	0.8909
1052	4MU	0.8908
1053	ZZ8	0.8906
1054	N8Y	0.8906
1055	DQU	0.8906
1056	2PG	0.8905
1057	OHG	0.8904
1058	6ME	0.8903
1059	MZ0	0.8903
1060	92P	0.8902
1061	2HU	0.8902
1062	YIO	0.8901
1063	2ZX	0.8901
1064	ABI	0.8900
1065	SEP	0.8898
1066	4SX	0.8897
1067	V1L	0.8897
1068	2IM	0.8897
1069	QAS	0.8896
1070	A13	0.8895
1071	6RQ	0.8895
1072	EDR	0.8894
1073	SEJ	0.8894
1074	DTL	0.8893
1075	GZQ	0.8893
1076	AMS	0.8890
1077	6NI	0.8890
1078	HC4	0.8889
1079	95Z	0.8889
1080	TOF	0.8888
1081	8WO	0.8887
1082	NTZ	0.8886
1083	D3M	0.8886
1084	SXS	0.8885
1085	HX2	0.8885
1086	C2Y	0.8885
1087	4WL	0.8885
1088	HA7	0.8885
1089	HVQ	0.8884
1090	23B	0.8883
1091	OTW	0.8882
1092	LER	0.8880
1093	GLU	0.8880
1094	GCV	0.8879
1095	9FL	0.8879
1096	AKG	0.8879
1097	D07	0.8876
1098	HTP	0.8875
1099	QAT	0.8875
1100	MVN	0.8873
1101	NVI	0.8873
1102	4JN	0.8871
1103	9PY	0.8870
1104	44W	0.8868
1105	K34	0.8867
1106	ZB1	0.8866
1107	2AK	0.8863
1108	1M2	0.8863
1109	TGX	0.8863
1110	M0Q	0.8861
1111	II6	0.8858
1112	CP	0.8858
1113	SN4	0.8857
1114	H3M	0.8855
1115	285	0.8855
1116	GJS	0.8854
1117	PKU	0.8854
1118	F1A	0.8853
1119	YQA	0.8853
1120	BVG	0.8853
1121	PNZ	0.8853
1122	FGZ	0.8850
1123	0F9	0.8850
1124	PRF	0.8846
1125	LFR	0.8845
1126	SIF	0.8843
1127	GM7	0.8841
1128	CMS	0.8841
1129	K17	0.8840
1130	MBG	0.8839
1131	DCL	0.8836
1132	42J	0.8834
1133	FX1	0.8834
1134	ANN	0.8834
1135	PSV	0.8833
1136	DEE	0.8833
1137	GZ8	0.8831
1138	A2Q	0.8830
1139	DE5	0.8828
1140	7ME	0.8828
1141	HQ9	0.8827
1142	MMA	0.8827
1143	3V4	0.8825
1144	EV0	0.8825
1145	AIN	0.8825
1146	192	0.8825
1147	JAW	0.8821
1148	GOX	0.8820
1149	TBS	0.8819
1150	PIY	0.8813
1151	IPH	0.8813
1152	CDV	0.8812
1153	OA3	0.8812
1154	PQ0	0.8811
1155	GXY	0.8809
1156	GIM	0.8809
1157	NVU	0.8808
1158	2FT	0.8806
1159	HL5	0.8806
1160	1U6	0.8806
1161	KG7	0.8806
1162	4ZA	0.8805
1163	FUM	0.8804
1164	HIU	0.8802
1165	ENL	0.8800
1166	GUA	0.8799
1167	3PY	0.8799
1168	264	0.8797
1169	FA3	0.8797
1170	GG6	0.8796
1171	KIB	0.8795
1172	KIA	0.8795
1173	259	0.8795
1174	4BZ	0.8795
1175	AS3	0.8794
1176	0FN	0.8792
1177	N3W	0.8792
1178	M3H	0.8791
1179	GXE	0.8790
1180	34V	0.8790
1181	SFU	0.8790
1182	4XV	0.8786
1183	MFU	0.8785
1184	JXN	0.8785
1185	GT0	0.8784
1186	N4B	0.8782
1187	KSW	0.8781
1188	9X6	0.8781
1189	TCZ	0.8781
1190	SF9	0.8775
1191	MBN	0.8775
1192	AEZ	0.8775
1193	IOL	0.8775
1194	449	0.8772
1195	CWJ	0.8772
1196	NK2	0.8770
1197	DQA	0.8767
1198	AMH	0.8760
1199	IQ0	0.8760
1200	KDV	0.8760
1201	Q02	0.8759
1202	DTU	0.8756
1203	APG	0.8756
1204	4AP	0.8756
1205	2AP	0.8755
1206	8CL	0.8754
1207	3AP	0.8754
1208	1AL	0.8752
1209	PHH	0.8750
1210	XXP	0.8749
1211	KTA	0.8748
1212	93B	0.8748
1213	HVK	0.8748
1214	GLL	0.8746
1215	7B3	0.8746
1216	CEJ	0.8746
1217	ONR	0.8744
1218	CGB	0.8744
1219	15E	0.8742
1220	HNQ	0.8741
1221	9PO	0.8739
1222	MLA	0.8739
1223	PHE	0.8738
1224	HRZ	0.8737
1225	9CA	0.8737
1226	2KT	0.8737
1227	DNF	0.8736
1228	1WC	0.8736
1229	PAV	0.8736
1230	24T	0.8734
1231	MLI	0.8734
1232	L60	0.8732
1233	KFH	0.8729
1234	3BU	0.8728
1235	QMP	0.8726
1236	4XS	0.8726
1237	8K2	0.8725
1238	PAE	0.8725
1239	13P	0.8725
1240	MUC	0.8724
1241	FBU	0.8722
1242	MB3	0.8720
1243	DSN	0.8719
1244	H33	0.8718
1245	LI6	0.8717
1246	BPN	0.8717
1247	TFU	0.8716
1248	HQJ	0.8714
1249	PIM	0.8713
1250	ZVO	0.8711
1251	DGY	0.8711
1252	7D2	0.8709
1253	2F6	0.8708
1254	TYL	0.8707
1255	MVL	0.8707
1256	LGA	0.8706
1257	209	0.8706
1258	7EX	0.8706
1259	GV9	0.8701
1260	HHH	0.8700
1261	FUD	0.8699
1262	DPZ	0.8699
1263	091	0.8697
1264	15N	0.8696
1265	94W	0.8694
1266	M4E	0.8693
1267	JB8	0.8692
1268	FW5	0.8691
1269	NCT	0.8691
1270	UFV	0.8691
1271	2EZ	0.8690
1272	R9Y	0.8690
1273	9R5	0.8688
1274	PEY	0.8688
1275	TTO	0.8687
1276	1IT	0.8687
1277	E60	0.8687
1278	CSS	0.8687
1279	PD2	0.8686
1280	SER	0.8686
1281	269	0.8685
1282	I2M	0.8684
1283	JDN	0.8683
1284	JND	0.8683
1285	PRA	0.8682
1286	CIT	0.8680
1287	H6B	0.8679
1288	CYS	0.8677
1289	XXG	0.8673
1290	MJ2	0.8673
1291	CLZ	0.8668
1292	I4B	0.8666
1293	C5J	0.8665
1294	GCO	0.8664
1295	BNF	0.8663
1296	HHN	0.8660
1297	SF6	0.8660
1298	2FQ	0.8657
1299	LLQ	0.8656
1300	MED	0.8656
1301	K8X	0.8656
1302	DCY	0.8653
1303	GLY PRO	0.8650
1304	DXX	0.8648
1305	VOH	0.8647
1306	MMZ	0.8643
1307	QX4	0.8641
1308	25T	0.8638
1309	HYN	0.8638
1310	5NE	0.8636
1311	DTI	0.8635
1312	JRB	0.8633
1313	XRG	0.8632
1314	HSL	0.8631
1315	PFL	0.8624
1316	R67	0.8622
1317	IAC	0.8622
1318	NGO	0.8618
1319	Q7A	0.8615
1320	P2D	0.8614
1321	LT8	0.8612
1322	DZX	0.8612
1323	FLC	0.8607
1324	KMT	0.8606
1325	DBB	0.8605
1326	2KA	0.8602
1327	FK8	0.8600
1328	EOL	0.8598
1329	PX7	0.8595
1330	KDF	0.8594
1331	PIH	0.8594
1332	28N	0.8593
1333	8XQ	0.8591
1334	GLN	0.8590
1335	K6X	0.8589
1336	F69	0.8587
1337	ABA	0.8586
1338	ACH	0.8585
1339	6OT	0.8583
1340	AMG	0.8583
1341	IZC	0.8581
1342	39O	0.8576
1343	GVG	0.8570
1344	4SD	0.8561
1345	DHY	0.8555
1346	1DH	0.8554
1347	0OC	0.8550
1348	HGW	0.8549
1349	AAE	0.8539
1350	7WR	0.8538
1351	XIX	0.8538
1352	7MX	0.8521
1353	HHT	0.8514

Similar Binding Sites (Proteins are less than 50% similar to leader)

Pocket No.: 1; Query (leader) PDB : 4RLQ; Ligand: 3SK; Similar sites found with APoc: 1

This union binding pocket(no: 1) in the query (biounit: 4rlq.bio1) has 41 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	5OE4	3UK	49.14

Pocket No.: 2; Query (leader) PDB : 4RLQ; Ligand: 3SK; 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: 4rlq.bio2) has 14 residues
No:	Leader PDB	Ligand	Sequence Similarity

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