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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4CFS	1.94 Å	EC: 1.13.11.48	CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H 251A VARIANT COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3- HY DROXY-4-OXOQUINALDINE	ARTHROBACTER NITROGUAJACOLICUS	ALPHA-BETA HYDROLASE COMPLEX OXIDOREDUCTASE DIOXYGENASE CDEVOID
Ref.:	ORIGIN OF THE PROTON-TRANSFER STEP IN THE COFACTOR-3-HYDROXY-4-OXOQUINALDINE 2,4- DIOXYGENASE: EFFECT BASICITY OF AN ACTIVE SITE HIS RESIDUE. J.BIOL.CHEM. V. 289 8620 2014

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
TAR	A:1278; C:1280; C:1279; D:1279; C:1278; D:1280; D:1278;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none;	submit data	150.087	C4 H6 O6	[C@H]...
K	C:1276; D:1276; B:1276; A:1276;	Part of Protein; Part of Protein; Part of Protein; Part of Protein;	none; none; none; none;	submit data	39.098	K	[K+]
HQD	D:1277; A:1277; B:1277; C:1277;	Valid; Valid; Valid; Valid;	none; none; none; none;	submit data	175.184	C10 H9 N O2	CC1=C...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4CFS	1.94 Å	EC: 1.13.11.48	CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H 251A VARIANT COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3- HY DROXY-4-OXOQUINALDINE	ARTHROBACTER NITROGUAJACOLICUS	ALPHA-BETA HYDROLASE COMPLEX OXIDOREDUCTASE DIOXYGENASE CDEVOID
Ref.:	ORIGIN OF THE PROTON-TRANSFER STEP IN THE COFACTOR-3-HYDROXY-4-OXOQUINALDINE 2,4- DIOXYGENASE: EFFECT BASICITY OF AN ACTIVE SITE HIS RESIDUE. J.BIOL.CHEM. V. 289 8620 2014

Members (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	4CFS	-	HQD	C10 H9 N O2	CC1=C(C(=O....
2	2WJ6	-	ZZ8	C9 H9 N O3	CC(=O)Nc1c....
3	2WJ4	-	HQD	C10 H9 N O2	CC1=C(C(=O....

70% Homology Family (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	4CFS	-	HQD	C10 H9 N O2	CC1=C(C(=O....
2	2WJ6	-	ZZ8	C9 H9 N O3	CC(=O)Nc1c....
3	2WJ4	-	HQD	C10 H9 N O2	CC1=C(C(=O....

50% Homology Family (5)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 225 families.
1	4CFS	-	HQD	C10 H9 N O2	CC1=C(C(=O....
2	2WJ6	-	ZZ8	C9 H9 N O3	CC(=O)Nc1c....
3	2WJ4	-	HQD	C10 H9 N O2	CC1=C(C(=O....
4	6RB3	-	JWW	C16 H21 N O2	CCCCCCCc1c....
5	6RA3	-	JWH	C15 H21 N O3	CCCCCCCC(=....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: HQD; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	HQD	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: HQD; Similar ligands found: 1231

No:	Ligand	Similarity coefficient
1	0N7	1.0000
2	BGC	1.0000
3	F9Y	1.0000
4	AZ9	0.9988
5	GLC	0.9922
6	3PF	0.9871
7	CTS	0.9775
8	TOF	0.9772
9	5QY	0.9767
10	X05	0.9766
11	D48	0.9764
12	BDP	0.9763
13	2FQ	0.9759
14	AJ2	0.9759
15	G3E	0.9757
16	M5K	0.9751
17	9KT	0.9748
18	LI6	0.9747
19	TTL	0.9743
20	SE2	0.9733
21	8S0	0.9732
22	M6N	0.9731
23	4HC	0.9729
24	Q24	0.9729
25	AQO	0.9729
26	KJH	0.9727
27	J9W	0.9719
28	MEW	0.9717
29	PE0	0.9714
30	LGC	0.9712
31	12Q	0.9706
32	G3F	0.9700
33	AZ8	0.9700
34	5QX	0.9699
35	J5I	0.9692
36	M1Q	0.9684
37	7W1	0.9669
38	HQT	0.9667
39	MT5	0.9662
40	QX4	0.9661
41	3MG	0.9641
42	PXL	0.9641
43	CFF	0.9625
44	SKA	0.9620
45	KBG	0.9616
46	URC	0.9604
47	A7W	0.9599
48	NDH	0.9598
49	BEA	0.9598
50	GAL	0.9594
51	GDE	0.9594
52	DRL	0.9592
53	4MU	0.9592
54	GCU	0.9590
55	6VD	0.9588
56	TEP	0.9586
57	VK3	0.9585
58	R8V	0.9583
59	KJY	0.9580
60	DQU	0.9580
61	DMD	0.9575
62	APZ	0.9574
63	QX2	0.9571
64	XHP	0.9568
65	KKN	0.9568
66	B62	0.9566
67	HLZ	0.9558
68	QWW	0.9555
69	RXA	0.9555
70	EA1	0.9555
71	MO8	0.9554
72	0FO	0.9554
73	NOJ	0.9554
74	DIN	0.9552
75	DBJ	0.9550
76	LT2	0.9549
77	MUA	0.9547
78	OTW	0.9544
79	209	0.9542
80	PHH	0.9542
81	0P6	0.9541
82	5WV	0.9540
83	3ID	0.9538
84	PEY	0.9538
85	JG8	0.9535
86	7VS	0.9534
87	4AA	0.9529
88	44V	0.9528
89	6ME	0.9526
90	44W	0.9519
91	IV2	0.9518
92	NQ	0.9517
93	GCB	0.9515
94	X09	0.9515
95	GCS	0.9515
96	PYQ	0.9515
97	15L	0.9512
98	J9Q	0.9509
99	AJV	0.9505
100	AZA	0.9503
101	MVN	0.9501
102	97T	0.9501
103	37T	0.9501
104	ISN	0.9497
105	8CM	0.9496
106	1LQ	0.9494
107	XX2	0.9493
108	XAZ	0.9493
109	GTR	0.9493
110	1NP	0.9492
111	MAQ	0.9491
112	1SQ	0.9490
113	8TX	0.9489
114	ES1	0.9486
115	G6D	0.9486
116	B60	0.9485
117	9DG	0.9485
118	9FL	0.9485
119	ES7	0.9483
120	75K	0.9481
121	H33	0.9480
122	5JQ	0.9479
123	5SG	0.9479
124	4NC	0.9479
125	KUF	0.9479
126	5Q0	0.9477
127	24W	0.9476
128	CN0	0.9475
129	92K	0.9473
130	BTY	0.9473
131	OCH	0.9470
132	MRW	0.9467
133	EVA	0.9466
134	39O	0.9466
135	B55	0.9466
136	CWS	0.9465
137	SYA	0.9464
138	GUN	0.9464
139	QBK	0.9463
140	32X	0.9463
141	5IQ	0.9462
142	1LM	0.9461
143	9MG	0.9461
144	COU	0.9460
145	ASO	0.9459
146	B57	0.9457
147	DHB	0.9457
148	CTL	0.9456
149	IGA	0.9455
150	4YS	0.9454
151	7ME	0.9454
152	JBH	0.9452
153	N5J	0.9451
154	6RQ	0.9450
155	3F0	0.9449
156	ASC	0.9448
157	KT7	0.9448
158	XAN	0.9447
159	Z5P	0.9446
160	HQY	0.9445
161	E7Z	0.9445
162	GOX	0.9445
163	P9P	0.9443
164	HIS	0.9443
165	O72	0.9441
166	2AK	0.9441
167	67N	0.9440
168	QSH	0.9440
169	GZL	0.9438
170	5CU	0.9438
171	LDR	0.9436
172	JPZ	0.9435
173	0W8	0.9434
174	15E	0.9434
175	MYJ	0.9433
176	9CA	0.9430
177	3IT	0.9428
178	DHK	0.9427
179	INO	0.9426
180	5WY	0.9422
181	F31	0.9422
182	MT0	0.9422
183	5RO	0.9422
184	PFB	0.9421
185	ZYR	0.9420
186	DOB	0.9419
187	SKM	0.9419
188	4A3	0.9419
189	H42	0.9419
190	FA0	0.9418
191	LCN	0.9417
192	4FS	0.9417
193	0F9	0.9416
194	495	0.9414
195	FHB	0.9414
196	1IT	0.9410
197	2H5	0.9410
198	CHB	0.9410
199	BHA	0.9409
200	2AQ	0.9409
201	03V	0.9409
202	141	0.9409
203	JUG	0.9408
204	3HA	0.9408
205	YH7	0.9405
206	DBH	0.9405
207	NGT	0.9404
208	NGW	0.9404
209	G12	0.9404
210	5NU	0.9403
211	3HM	0.9402
212	HJP	0.9402
213	2LY	0.9401
214	3WA	0.9401
215	4ME	0.9401
216	RPQ	0.9400
217	CH9	0.9399
218	7W4	0.9398
219	DHQ	0.9397
220	CLZ	0.9396
221	JB5	0.9396
222	I6G	0.9395
223	7WR	0.9395
224	UNC	0.9395
225	A2F	0.9394
226	BK9	0.9393
227	NNO	0.9392
228	2ZQ	0.9391
229	QSB	0.9389
230	KJU	0.9388
231	AA	0.9387
232	BOA	0.9387
233	329	0.9386
234	93K	0.9386
235	25W	0.9384
236	4M0	0.9383
237	7ZE	0.9383
238	ES5	0.9383
239	M1A	0.9382
240	FE DB1	0.9380
241	3M0	0.9379
242	VNL	0.9379
243	92P	0.9377
244	5JL	0.9376
245	G1O	0.9376
246	86J	0.9376
247	6AP	0.9374
248	FDB	0.9373
249	NGO	0.9372
250	CFP	0.9372
251	9AP	0.9371
252	0FN	0.9371
253	12B	0.9369
254	TBS	0.9369
255	C2Y	0.9366
256	4Z4	0.9364
257	1XM	0.9364
258	JBQ	0.9363
259	DX4	0.9362
260	1KP	0.9361
261	Q6T	0.9361
262	2HO	0.9360
263	3Z8	0.9360
264	FGZ	0.9360
265	XQ0	0.9360
266	5RN	0.9360
267	IHB	0.9360
268	UFO	0.9359
269	9TW	0.9358
270	AZG	0.9358
271	ANF	0.9357
272	HH8	0.9357
273	ADA	0.9356
274	4XH	0.9356
275	7HQ	0.9356
276	NOY	0.9355
277	K17	0.9355
278	ONR	0.9354
279	HZQ	0.9354
280	IFL	0.9352
281	I3A	0.9351
282	TTY	0.9351
283	7NI	0.9351
284	G2F	0.9350
285	HHA	0.9349
286	4JQ	0.9349
287	290	0.9348
288	7B4	0.9346
289	Q88	0.9346
290	ALL	0.9340
291	30G	0.9340
292	THA	0.9337
293	M2K	0.9337
294	HNQ	0.9336
295	TVP	0.9335
296	2HQ	0.9335
297	AJY	0.9334
298	3DO	0.9331
299	QPR	0.9331
300	ICO	0.9330
301	ADZ	0.9330
302	8W9	0.9329
303	4JT	0.9325
304	K32	0.9322
305	4RU	0.9319
306	A29	0.9319
307	2D0	0.9318
308	RM1	0.9318
309	PJW	0.9317
310	G5V	0.9317
311	7B3	0.9317
312	SYV	0.9316
313	BCU	0.9314
314	TT4	0.9313
315	UAN	0.9313
316	BSP	0.9312
317	ES0	0.9311
318	7MK	0.9310
319	JBK	0.9309
320	DNF	0.9309
321	1XN	0.9309
322	2FY	0.9308
323	42C	0.9308
324	ORO	0.9308
325	LNR	0.9307
326	GJP	0.9306
327	NAG	0.9305
328	FOT	0.9305
329	GYE	0.9305
330	N2I	0.9302
331	AKH	0.9302
332	173	0.9302
333	WOO	0.9301
334	X8D	0.9301
335	1HN	0.9301
336	JTH	0.9301
337	52C	0.9299
338	BCP	0.9299
339	8IG	0.9298
340	8WO	0.9298
341	GLT	0.9297
342	FDR	0.9296
343	ZZ8	0.9293
344	MS9	0.9293
345	ISE	0.9289
346	SOE	0.9289
347	SWA	0.9288
348	MQN	0.9288
349	8XQ	0.9288
350	5GU	0.9287
351	0JD	0.9286
352	1P7	0.9285
353	15N	0.9284
354	0HO	0.9283
355	5OB	0.9283
356	F5B	0.9282
357	ODO	0.9282
358	BPY	0.9279
359	SHG	0.9279
360	0TU	0.9279
361	BZJ	0.9279
362	HKD	0.9278
363	CWM	0.9277
364	FLV	0.9275
365	NID	0.9275
366	PX7	0.9275
367	6NT	0.9274
368	0HN	0.9272
369	Q71	0.9268
370	L99	0.9268
371	OA3	0.9266
372	N8Y	0.9266
373	BPU	0.9266
374	226	0.9263
375	DPZ	0.9261
376	HQJ	0.9261
377	1GN	0.9260
378	GIM	0.9260
379	28N	0.9258
380	D07	0.9258
381	GLA	0.9256
382	C2U	0.9256
383	4YO	0.9256
384	6BL	0.9256
385	5RG	0.9254
386	5VL	0.9254
387	Q7A	0.9253
388	2KA	0.9253
389	HBO	0.9252
390	2AL	0.9252
391	2EC	0.9251
392	ZXD	0.9250
393	54G	0.9249
394	OXC	0.9249
395	NPY	0.9249
396	4XV	0.9247
397	IJZ	0.9247
398	ROI	0.9246
399	DNC	0.9246
400	H5B	0.9245
401	3NY	0.9243
402	6M9	0.9243
403	9R5	0.9238
404	SVN	0.9237
405	GTQ	0.9236
406	1P8	0.9236
407	3QV	0.9235
408	5M0	0.9234
409	NDG	0.9233
410	GF4	0.9233
411	TIY	0.9231
412	SAL	0.9231
413	BZ3	0.9230
414	2HU	0.9229
415	HH5	0.9229
416	K3Q	0.9227
417	QUZ	0.9227
418	PQ0	0.9226
419	PH2	0.9226
420	HA5	0.9225
421	AN3	0.9225
422	0CU	0.9224
423	GVG	0.9224
424	GCW	0.9223
425	8ZE	0.9223
426	K22	0.9223
427	NTZ	0.9223
428	UFV	0.9223
429	FBB	0.9222
430	4TU	0.9221
431	K6X	0.9221
432	QWN	0.9220
433	B5D	0.9218
434	39A	0.9218
435	JU2	0.9218
436	HHI	0.9217
437	NDM	0.9216
438	9PY	0.9215
439	2FG	0.9215
440	DX3	0.9213
441	20J	0.9212
442	M0W	0.9211
443	SHA	0.9211
444	KYA	0.9209
445	3J8	0.9209
446	L5V	0.9209
447	2ZM	0.9208
448	B53	0.9208
449	1F1	0.9208
450	X0V	0.9208
451	42A	0.9207
452	4CS	0.9207
453	TWO	0.9205
454	5B1	0.9205
455	5NI	0.9205
456	6GU	0.9204
457	ZB1	0.9202
458	LZM	0.9202
459	DIU	0.9202
460	UEG	0.9201
461	M0Q	0.9198
462	948	0.9197
463	IPB	0.9197
464	INE	0.9197
465	149	0.9196
466	2CK	0.9192
467	4SX	0.9192
468	QXW	0.9190
469	PRF	0.9190
470	E7S	0.9190
471	ZVO	0.9189
472	680	0.9188
473	XXR	0.9188
474	AY4	0.9186
475	F12	0.9186
476	SOR	0.9185
477	5MK	0.9185
478	K2T	0.9185
479	3HB	0.9185
480	4XS	0.9184
481	3U4	0.9184
482	ES2	0.9184
483	N3W	0.9182
484	DRG	0.9182
485	JBE	0.9182
486	8GC	0.9182
487	EXO	0.9181
488	DOR	0.9178
489	ET2	0.9178
490	DPT	0.9177
491	AW5	0.9176
492	HTP	0.9176
493	GIV	0.9176
494	SXS	0.9176
495	F05	0.9176
496	5FN	0.9174
497	BE2	0.9174
498	E1T	0.9173
499	GRE	0.9173
500	0XT	0.9172
501	0RW	0.9172
502	INS	0.9172
503	34D	0.9171
504	CLW	0.9170
505	GNM	0.9169
506	BZX	0.9169
507	8MO	0.9168
508	SJ5	0.9167
509	TGX	0.9167
510	4SV	0.9167
511	6CS	0.9167
512	5WU	0.9166
513	FH2	0.9166
514	6QF	0.9166
515	SX1	0.9165
516	ABI	0.9164
517	7MU	0.9164
518	36R	0.9163
519	PHE	0.9163
520	5WX	0.9162
521	OVV	0.9162
522	3A9	0.9161
523	82I	0.9161
524	VXX	0.9161
525	8WT	0.9159
526	GJS	0.9158
527	94W	0.9156
528	9EW	0.9156
529	WCE	0.9156
530	M1H	0.9155
531	FDK	0.9154
532	NCT	0.9154
533	EQT	0.9154
534	K8X	0.9153
535	3AB	0.9153
536	PRZ	0.9152
537	293	0.9151
538	GTL	0.9151
539	XX3	0.9150
540	YIO	0.9150
541	2F6	0.9150
542	GM7	0.9149
543	JAE	0.9149
544	MVL	0.9148
545	XQK	0.9148
546	6M1	0.9148
547	X0W	0.9147
548	6F0	0.9147
549	MBG	0.9146
550	KW8	0.9145
551	SWD	0.9145
552	LDP	0.9144
553	6NI	0.9143
554	X6X	0.9142
555	LT8	0.9141
556	53C	0.9141
557	ES6	0.9139
558	IFP	0.9138
559	AEZ	0.9138
560	8HC	0.9138
561	DQN	0.9137
562	4FH	0.9134
563	JKE	0.9134
564	LSA	0.9134
565	ZWZ	0.9133
566	EMZ	0.9133
567	HHR	0.9133
568	6M4	0.9130
569	RAM	0.9129
570	5CL	0.9128
571	4P5	0.9127
572	FA3	0.9126
573	PXM	0.9126
574	5XC	0.9126
575	NSG	0.9126
576	GNL	0.9126
577	BRT	0.9126
578	GAB	0.9124
579	OMD	0.9123
580	VGD	0.9123
581	AHR	0.9120
582	5HN	0.9119
583	1A7	0.9117
584	HPA	0.9117
585	2ZV	0.9115
586	LKA	0.9115
587	1U6	0.9115
588	3FH	0.9112
589	7WV	0.9111
590	F60	0.9111
591	6TZ	0.9109
592	CWJ	0.9107
593	14O	0.9107
594	BTE	0.9105
595	EN1	0.9104
596	XXP	0.9103
597	9TZ	0.9103
598	3NT	0.9102
599	YQA	0.9102
600	G4D	0.9102
601	BNT	0.9102
602	27B	0.9102
603	4KL	0.9101
604	1WD	0.9100
605	5NE	0.9099
606	GIO	0.9098
607	BMA	0.9094
608	0FK	0.9094
609	0W1	0.9093
610	SRT	0.9092
611	NMJ	0.9092
612	2D3	0.9091
613	KIB	0.9091
614	3MB	0.9090
615	D1X	0.9090
616	PA1	0.9089
617	OVM	0.9087
618	HFB	0.9086
619	5H1	0.9086
620	DQA	0.9084
621	12T	0.9084
622	4HM	0.9084
623	ABV	0.9082
624	BZ2	0.9082
625	JR2	0.9080
626	EKZ	0.9080
627	3BZ	0.9079
628	6AI	0.9079
629	AX7	0.9079
630	ZZZ	0.9078
631	5VM	0.9077
632	OW4	0.9074
633	V55	0.9074
634	23A	0.9073
635	GAF	0.9073
636	XYP	0.9073
637	091	0.9070
638	FUD	0.9069
639	F2W	0.9069
640	FBG	0.9068
641	ESI	0.9067
642	8XL	0.9066
643	ESP	0.9066
644	BHO	0.9065
645	5MI	0.9064
646	XM0	0.9064
647	ANC	0.9060
648	LYL	0.9060
649	APS	0.9058
650	2K4	0.9057
651	GV9	0.9057
652	FUL	0.9057
653	PBA	0.9056
654	270	0.9055
655	XQG	0.9054
656	QIC	0.9054
657	GZ8	0.9052
658	BBF	0.9052
659	SRO	0.9051
660	2CQ	0.9051
661	DGJ	0.9050
662	IFM	0.9050
663	5MB	0.9050
664	GXL	0.9050
665	7MX	0.9050
666	9ZE	0.9049
667	6FZ	0.9049
668	A13	0.9049
669	9FE	0.9048
670	RAT	0.9046
671	PCI	0.9044
672	069	0.9041
673	1PT	0.9041
674	KDV	0.9040
675	GSY	0.9040
676	4XR	0.9040
677	ADE	0.9038
678	4WL	0.9038
679	344	0.9036
680	QAT	0.9035
681	H4N	0.9035
682	LXC	0.9035
683	HBD	0.9034
684	II6	0.9033
685	11S	0.9032
686	39U	0.9032
687	EYK	0.9032
688	MWP	0.9031
689	1WG	0.9031
690	PHB	0.9029
691	R20	0.9028
692	DEW	0.9026
693	JDN	0.9026
694	MAN	0.9025
695	F3B	0.9025
696	I1N	0.9024
697	TH7	0.9024
698	QAS	0.9021
699	NPO	0.9021
700	F0J	0.9020
701	06B	0.9019
702	9HX	0.9019
703	EUG	0.9018
704	ES9	0.9016
705	BCF	0.9016
706	Q77	0.9016
707	XIY	0.9015
708	BP1	0.9014
709	7D2	0.9014
710	IBF	0.9014
711	5NS	0.9014
712	10L	0.9013
713	1QP	0.9012
714	6MP	0.9010
715	150	0.9008
716	1DW	0.9008
717	HMH	0.9008
718	8OZ	0.9006
719	49O	0.9005
720	KIF	0.9005
721	KOJ	0.9005
722	SMN	0.9004
723	GOG	0.9003
724	GCO	0.9003
725	FYU	0.9003
726	DEE	0.9002
727	PDC	0.9000
728	MPV	0.9000
729	DMJ	0.8999
730	PAB	0.8999
731	F1A	0.8996
732	HA7	0.8996
733	ARP	0.8994
734	PHT	0.8992
735	7HP	0.8992
736	3RK	0.8992
737	V1T	0.8991
738	GXY	0.8990
739	RNS	0.8990
740	FK1	0.8987
741	S76	0.8986
742	KLW	0.8984
743	2MI	0.8983
744	ESX	0.8983
745	7WA	0.8981
746	XM5	0.8979
747	GDL	0.8978
748	NTM	0.8978
749	537	0.8976
750	VOH	0.8973
751	JLZ	0.8973
752	8NX	0.8973
753	EJZ	0.8972
754	M5N	0.8972
755	CKA	0.8971
756	6XI	0.8971
757	KIA	0.8971
758	ICB	0.8969
759	9DA	0.8968
760	C9E	0.8966
761	2A9	0.8966
762	JYB	0.8963
763	MZB	0.8963
764	DBX	0.8963
765	JND	0.8961
766	DIE	0.8961
767	7VJ	0.8961
768	M1Z	0.8957
769	6X9	0.8957
770	X11	0.8956
771	IOS	0.8956
772	3DM	0.8956
773	XYL	0.8955
774	H7Y	0.8953
775	HX3	0.8953
776	1P3	0.8952
777	MR1	0.8952
778	IF7	0.8951
779	4M4	0.8949
780	ES4	0.8949
781	PBZ	0.8948
782	AC6	0.8947
783	0LH	0.8947
784	FHN	0.8946
785	RUY	0.8945
786	FXH	0.8945
787	4AN	0.8945
788	826	0.8945
789	J9T	0.8945
790	FA1	0.8942
791	FBT	0.8942
792	3R6	0.8941
793	EGR	0.8941
794	4MA	0.8941
795	4ZA	0.8940
796	23J	0.8939
797	Q02	0.8938
798	2K8	0.8938
799	HLD	0.8937
800	0BP	0.8937
801	68A	0.8937
802	2A7	0.8937
803	E1K	0.8937
804	NIZ	0.8937
805	45C	0.8934
806	1M2	0.8934
807	5VJ	0.8933
808	GTZ	0.8933
809	E3D	0.8933
810	OVP	0.8932
811	TAG	0.8931
812	2O6	0.8931
813	PD2	0.8931
814	JKZ	0.8931
815	P72	0.8931
816	8NY	0.8930
817	BIK	0.8930
818	JXN	0.8929
819	7FF	0.8928
820	LZ2	0.8928
821	GCV	0.8928
822	PM6	0.8928
823	APG	0.8927
824	X0U	0.8926
825	YSO	0.8924
826	BDF	0.8923
827	UQ	0.8922
828	1Y6	0.8921
829	TSS	0.8917
830	3AL	0.8916
831	2BG	0.8916
832	4AV	0.8914
833	BZE	0.8914
834	G1P	0.8913
835	NVU	0.8913
836	54X	0.8913
837	67X	0.8912
838	RMN	0.8912
839	L7T	0.8910
840	9RW	0.8910
841	0GZ	0.8909
842	4NG	0.8908
843	PIY	0.8908
844	TC7	0.8907
845	2MN	0.8906
846	BNL	0.8906
847	1X7	0.8903
848	MT8	0.8903
849	CFI	0.8901
850	2JK	0.8900
851	1XA	0.8899
852	ISZ	0.8899
853	TIU	0.8899
854	174	0.8899
855	6R8	0.8896
856	FBW	0.8896
857	IBM	0.8895
858	E5X	0.8895
859	GT0	0.8894
860	JA8	0.8893
861	DNA	0.8893
862	ADK	0.8893
863	TXW	0.8892
864	FBM	0.8891
865	AX3	0.8891
866	JP2	0.8890
867	KGK	0.8890
868	1WC	0.8889
869	H6B	0.8887
870	7I2	0.8886
871	9UL	0.8886
872	LAO	0.8885
873	HLR	0.8884
874	5TY	0.8884
875	8G0	0.8883
876	DK1	0.8883
877	H62	0.8882
878	QBS	0.8881
879	HMU	0.8881
880	XDE	0.8881
881	4V2	0.8880
882	SYR	0.8880
883	E7R	0.8880
884	HDL	0.8879
885	2HC	0.8879
886	K37	0.8879
887	3XX	0.8879
888	51R	0.8878
889	8GK	0.8878
890	MOK	0.8877
891	R9Y	0.8877
892	PIM	0.8876
893	261	0.8875
894	F4Z	0.8874
895	Z82	0.8873
896	FBU	0.8872
897	MSR	0.8872
898	JAW	0.8870
899	XXG	0.8867
900	VNJ	0.8867
901	3TJ	0.8867
902	FP1	0.8867
903	FB1	0.8866
904	F69	0.8865
905	64C	0.8864
906	FBV	0.8863
907	3BU	0.8862
908	M5H	0.8862
909	L3Q	0.8861
910	18N	0.8861
911	F6P	0.8861
912	M3H	0.8860
913	AIN	0.8860
914	2CZ	0.8858
915	ZZT	0.8857
916	OTD	0.8856
917	6DP	0.8854
918	1AL	0.8854
919	IWT	0.8854
920	4VS	0.8852
921	EV0	0.8850
922	HDH	0.8849
923	L22	0.8848
924	RB5	0.8847
925	4ZC	0.8847
926	EXD	0.8845
927	3MA	0.8845
928	M1E	0.8844
929	N0Z	0.8844
930	428	0.8841
931	6KT	0.8839
932	FHC	0.8838
933	MAJ	0.8837
934	1Z6	0.8837
935	TYL	0.8836
936	K44	0.8835
937	TFU	0.8835
938	T6C	0.8835
939	GHM	0.8833
940	9LI	0.8832
941	BEZ	0.8829
942	AMG	0.8828
943	HHS	0.8826
944	PNZ	0.8825
945	F81	0.8822
946	RHU	0.8821
947	SVD	0.8818
948	KTJ	0.8817
949	3OC	0.8814
950	CPZ	0.8814
951	B2J	0.8813
952	DEN	0.8813
953	YCP	0.8813
954	IAC	0.8813
955	6PC	0.8812
956	IPD	0.8811
957	XYS	0.8811
958	NCA	0.8811
959	CK2	0.8810
960	F4E	0.8810
961	JIF	0.8807
962	ANN	0.8807
963	F9P	0.8806
964	7MH	0.8806
965	QMS	0.8805
966	BAM	0.8805
967	MSN	0.8804
968	PQK	0.8802
969	JRB	0.8801
970	HC4	0.8801
971	FCA	0.8800
972	J9N	0.8799
973	61M	0.8798
974	BEN	0.8797
975	XCZ	0.8796
976	8H8	0.8796
977	BA5	0.8795
978	1VK	0.8794
979	NGA	0.8794
980	E35	0.8792
981	JB8	0.8792
982	2GS	0.8791
983	3R4	0.8791
984	P92	0.8791
985	P3K	0.8791
986	4BZ	0.8791
987	PHU	0.8790
988	OW7	0.8789
989	3GQ	0.8789
990	J01	0.8788
991	J6W	0.8788
992	6OT	0.8787
993	717	0.8787
994	ZME	0.8786
995	W81	0.8786
996	FCR	0.8786
997	SLS	0.8785
998	4V6	0.8783
999	692	0.8783
1000	NBZ	0.8782
1001	B56	0.8778
1002	NIO	0.8778
1003	K5W	0.8777
1004	CKX	0.8777
1005	A1Y	0.8772
1006	4BL	0.8770
1007	UNU	0.8768
1008	IDM	0.8767
1009	MXX	0.8766
1010	IND	0.8761
1011	MM2	0.8761
1012	M4E	0.8760
1013	FUC	0.8760
1014	UNJ	0.8760
1015	FCB	0.8759
1016	582	0.8759
1017	CKU	0.8758
1018	JTA	0.8758
1019	MFB	0.8757
1020	FRU	0.8754
1021	OTR	0.8753
1022	SW7	0.8753
1023	NLA	0.8752
1024	BZI	0.8752
1025	535	0.8750
1026	7VP	0.8749
1027	GNV	0.8748
1028	35C	0.8748
1029	FSW	0.8747
1030	4JP	0.8747
1031	42J	0.8746
1032	JZ9	0.8746
1033	PBR	0.8746
1034	JFD	0.8745
1035	3Y7	0.8742
1036	BZF	0.8742
1037	8NB	0.8739
1038	NK2	0.8739
1039	3SK	0.8739
1040	4NM	0.8738
1041	PZA	0.8738
1042	QQQ	0.8737
1043	4BY	0.8737
1044	4VY	0.8733
1045	KWH	0.8733
1046	OAA	0.8733
1047	ZZ3	0.8730
1048	H4E	0.8728
1049	SNU	0.8726
1050	KYD	0.8725
1051	TZF	0.8723
1052	RM4	0.8721
1053	XFE	0.8720
1054	LZ1	0.8719
1055	PBC	0.8719
1056	GBD	0.8716
1057	SS1	0.8716
1058	95Z	0.8712
1059	AAS	0.8709
1060	FAN	0.8709
1061	3ZB	0.8709
1062	KBB	0.8708
1063	K34	0.8705
1064	AC0	0.8705
1065	JF1	0.8704
1066	6FB	0.8702
1067	4NB	0.8702
1068	TH0	0.8702
1069	W8G	0.8701
1070	MCT	0.8699
1071	LIP	0.8697
1072	RIB	0.8697
1073	0CT	0.8695
1074	GO2	0.8695
1075	3Z7	0.8695
1076	24B	0.8693
1077	GVH	0.8693
1078	KFH	0.8693
1079	MPI	0.8692
1080	MHK	0.8691
1081	JF2	0.8691
1082	ARB	0.8691
1083	505	0.8690
1084	57O	0.8690
1085	TBP	0.8689
1086	HXX	0.8689
1087	QSC	0.8688
1088	0R1	0.8688
1089	DHR	0.8688
1090	DFB	0.8688
1091	KJ5	0.8687
1092	GLY PRO	0.8687
1093	FA6	0.8687
1094	NCD	0.8687
1095	TPA	0.8687
1096	FUF	0.8686
1097	NTN	0.8686
1098	GOO	0.8686
1099	PFL	0.8686
1100	M45	0.8685
1101	SAN	0.8685
1102	DA4	0.8684
1103	JXW	0.8682
1104	TSU	0.8682
1105	1Z8	0.8681
1106	JXZ	0.8679
1107	LQ2	0.8679
1108	K97	0.8679
1109	5PX	0.8678
1110	NSP	0.8678
1111	HX4	0.8674
1112	MM1	0.8674
1113	HBA	0.8673
1114	6E8	0.8672
1115	2J9	0.8671
1116	3C1	0.8670
1117	3C2	0.8670
1118	MLT	0.8670
1119	NHG	0.8669
1120	FLC	0.8668
1121	AEF	0.8668
1122	N2Z	0.8667
1123	DE3	0.8667
1124	4I8	0.8667
1125	K25	0.8666
1126	0TR	0.8666
1127	CFA	0.8664
1128	XBZ	0.8664
1129	BPN	0.8664
1130	MWM	0.8661
1131	AZF	0.8660
1132	CCV	0.8658
1133	YTX	0.8658
1134	KTW	0.8658
1135	2SX	0.8654
1136	D3M	0.8653
1137	A5E	0.8650
1138	SG2	0.8649
1139	OXQ	0.8649
1140	GIF	0.8647
1141	36Y	0.8646
1142	4ZE	0.8645
1143	9KH	0.8644
1144	5JC	0.8644
1145	GAG	0.8644
1146	URF	0.8642
1147	259	0.8639
1148	FQX	0.8639
1149	HT4	0.8639
1150	M6Z	0.8638
1151	4HO	0.8636
1152	RIP	0.8634
1153	GI3	0.8633
1154	2YU	0.8633
1155	SKF	0.8632
1156	MZG	0.8630
1157	S60	0.8629
1158	DHY	0.8629
1159	VGL	0.8628
1160	BGU	0.8627
1161	QNA	0.8626
1162	TDR	0.8626
1163	EV3	0.8625
1164	QOS	0.8625
1165	5OF	0.8625
1166	X48	0.8622
1167	BRV	0.8622
1168	PAC	0.8621
1169	0MK	0.8620
1170	SF9	0.8619
1171	2AC	0.8619
1172	HRM	0.8619
1173	PZI	0.8616
1174	1MC	0.8615
1175	5MH	0.8614
1176	60P	0.8613
1177	TM7	0.8613
1178	34A	0.8613
1179	7CZ	0.8613
1180	OHP	0.8612
1181	5LA	0.8612
1182	2MP	0.8612
1183	XYD	0.8612
1184	4J8	0.8612
1185	43M	0.8611
1186	DHS	0.8610
1187	SN4	0.8609
1188	D3G	0.8606
1189	36E	0.8602
1190	PYD	0.8602
1191	4JJ	0.8601
1192	3QM	0.8600
1193	CIT	0.8597
1194	8WZ	0.8596
1195	MXD	0.8593
1196	WBU	0.8592
1197	IUP	0.8590
1198	KMY	0.8589
1199	5GT	0.8585
1200	4CL	0.8583
1201	MMA	0.8580
1202	MWJ	0.8577
1203	1X8	0.8574
1204	A1U	0.8574
1205	795	0.8573
1206	JZ2	0.8572
1207	GLU	0.8570
1208	PKU	0.8570
1209	DFU	0.8568
1210	27Y	0.8564
1211	3C4	0.8562
1212	BR9	0.8561
1213	P84	0.8560
1214	R6T	0.8558
1215	ICP	0.8558
1216	4A5	0.8556
1217	H05	0.8550
1218	FBS	0.8547
1219	O2A	0.8545
1220	5UC	0.8544
1221	CNI	0.8541
1222	MJ2	0.8540
1223	YRL	0.8539
1224	S0E	0.8538
1225	GC2	0.8537
1226	64E	0.8536
1227	TLD	0.8535
1228	PPY	0.8530
1229	12M	0.8522
1230	HHT	0.8520
1231	TRP	0.8520

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

Pocket No.: 1; Query (leader) PDB : 4CFS; Ligand: HQD; 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: 4cfs.bio2) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4CFS; Ligand: HQD; 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: 4cfs.bio4) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 4CFS; Ligand: HQD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 3) in the query (biounit: 4cfs.bio1) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 4CFS; Ligand: HQD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 4) in the query (biounit: 4cfs.bio3) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

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