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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3L68	1.75 Å	EC: 1.6.99.1	XENOBIOTIC REDUCTASE A - C25S VARIANT WITH COUMARIN	PSEUDOMONAS PUTIDA	FMN TIM BARREL OXIDOREDUCTASE
Ref.:	CYSTEINE AS A MODULATOR RESIDUE IN THE ACTIVE SITE XENOBIOTIC REDUCTASE A: A STRUCTURAL, THERMODYNAMIC KINETIC STUDY J.MOL.BIOL. V. 398 66 2010

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
BU3	A:1508;	Invalid;	none;	submit data	90.121	C4 H10 O2	C[C@H...
COU	A:801; A:802; A:803;	Valid; Valid; Valid;	none; none; none;	Kd = 69.2 uM	146.143	C9 H6 O2	c1ccc...
FMN	A:1401;	Valid;	none;	submit data	456.344	C17 H21 N4 O9 P	Cc1cc...
SO4	A:1501; A:1502; A:1503; A:1504; A:1505; A:1506;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none;	submit data	96.063	O4 S	[O-]S...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
2H8Z	1.42 Å	EC: 1.6.99.1	XENOBIOTIC REDUCTASE A IN COMPLEX WITH 8-HYDROXYCOUMARIN	PSEUDOMONAS PUTIDA	BETA-ALPHA BARREL OXIDOREDUCTASE
Ref.:	XENOBIOTIC REDUCTASE A IN THE DEGRADATION OF QUINOL PSEUDOMONAS PUTIDA 86: PHYSIOLOGICAL FUNCTION, STRU MECHANISM OF 8-HYDROXYCOUMARIN REDUCTION. J.MOL.BIOL. V. 361 140 2006

Members (16)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 8 families.
1	2H90	Kd = 5 uM	COU	C9 H6 O2	c1ccc2c(c1....
2	5CPO	-	XEN	C10 H18 N2 O	CCCCN1CCCC....
3	3L5M	Kd = 8.4 uM	COU	C9 H6 O2	c1ccc2c(c1....
4	3N14	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
5	3L67	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
6	3L68	Kd = 69.2 uM	COU	C9 H6 O2	c1ccc2c(c1....
7	5N6Q	-	8OZ	C9 H8 O2	C=C(c1cccc....
8	5CPN	-	531	C14 H19 N O	CC(=O)[C@H....
9	5CPM	Kd = 27 uM	NDP	C21 H30 N7 O17 P3	c1nc(c2c(n....
10	3L65	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
11	2H8X	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
12	3L66	Kd = 20.9 uM	COU	C9 H6 O2	c1ccc2c(c1....
13	3L5L	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
14	3N19	-	FNR	C17 H23 N4 O9 P	Cc1cc2c(cc....
15	2H8Z	Kd = 2.5 uM	8CM	C9 H6 O3	c1cc2c(c(c....
16	5CPL	Kd < 25 uM	536	C13 H16 N2 O	c1ccc(cc1)....

70% Homology Family (16)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 6 families.
1	2H90	Kd = 5 uM	COU	C9 H6 O2	c1ccc2c(c1....
2	5CPO	-	XEN	C10 H18 N2 O	CCCCN1CCCC....
3	3L5M	Kd = 8.4 uM	COU	C9 H6 O2	c1ccc2c(c1....
4	3N14	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
5	3L67	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
6	3L68	Kd = 69.2 uM	COU	C9 H6 O2	c1ccc2c(c1....
7	5N6Q	-	8OZ	C9 H8 O2	C=C(c1cccc....
8	5CPN	-	531	C14 H19 N O	CC(=O)[C@H....
9	5CPM	Kd = 27 uM	NDP	C21 H30 N7 O17 P3	c1nc(c2c(n....
10	3L65	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
11	2H8X	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
12	3L66	Kd = 20.9 uM	COU	C9 H6 O2	c1ccc2c(c1....
13	3L5L	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
14	3N19	-	FNR	C17 H23 N4 O9 P	Cc1cc2c(cc....
15	2H8Z	Kd = 2.5 uM	8CM	C9 H6 O3	c1cc2c(c(c....
16	5CPL	Kd < 25 uM	536	C13 H16 N2 O	c1ccc(cc1)....

50% Homology Family (21)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	2H90	Kd = 5 uM	COU	C9 H6 O2	c1ccc2c(c1....
2	5CPO	-	XEN	C10 H18 N2 O	CCCCN1CCCC....
3	3L5M	Kd = 8.4 uM	COU	C9 H6 O2	c1ccc2c(c1....
4	3N14	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
5	3L67	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
6	3L68	Kd = 69.2 uM	COU	C9 H6 O2	c1ccc2c(c1....
7	5N6Q	-	8OZ	C9 H8 O2	C=C(c1cccc....
8	5CPN	-	531	C14 H19 N O	CC(=O)[C@H....
9	5CPM	Kd = 27 uM	NDP	C21 H30 N7 O17 P3	c1nc(c2c(n....
10	3L65	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
11	2H8X	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
12	3L66	Kd = 20.9 uM	COU	C9 H6 O2	c1ccc2c(c1....
13	3L5L	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
14	3N19	-	FNR	C17 H23 N4 O9 P	Cc1cc2c(cc....
15	2H8Z	Kd = 2.5 uM	8CM	C9 H6 O3	c1cc2c(c(c....
16	5CPL	Kd < 25 uM	536	C13 H16 N2 O	c1ccc(cc1)....
17	5OCS	-	CIT	C6 H8 O7	C(C(=O)O)C....
18	3KRZ	-	TXD	C21 H31 N7 O14 P2	c1nc(c2c(n....
19	3KRU	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....
20	3HGJ	-	HBA	C7 H6 O2	c1cc(ccc1C....
21	3HF3	-	FMN	C17 H21 N4 O9 P	Cc1cc2c(cc....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: COU; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	COU	1	1
2	4JQ	0.404255	0.75

Ligand no: 2; Ligand: FMN; Similar ligands found: 18

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	FMN	1	1
2	RBF	0.75641	0.876712
3	9O9	0.574468	0.934211
4	RS3	0.571429	0.831169
5	FAD	0.543307	0.876543
6	FAS	0.543307	0.876543
7	FAE	0.539062	0.865854
8	UBG	0.534351	0.888889
9	5DD	0.475248	0.972603
10	LFN	0.475	0.643836
11	C3F	0.473684	0.74359
12	CF4	0.463918	0.734177
13	FAY	0.446043	0.864198
14	FNR	0.444444	0.909091
15	RFL	0.442857	0.845238
16	4LS	0.411215	0.875
17	1VY	0.406593	0.769231
18	DLZ	0.404494	0.782051

Similar Ligands (3D)

Ligand no: 1; Ligand: COU; Similar ligands found: 1356

No:	Ligand	Similarity coefficient
1	03V	1.0000
2	OCH	1.0000
3	2AQ	1.0000
4	ES5	1.0000
5	JB5	1.0000
6	4FS	1.0000
7	H42	1.0000
8	JAE	0.9907
9	14O	0.9887
10	F60	0.9882
11	5H1	0.9878
12	BZX	0.9869
13	5MI	0.9865
14	2K4	0.9863
15	5WV	0.9850
16	ISN	0.9848
17	ABV	0.9837
18	5MB	0.9830
19	6AI	0.9825
20	3PF	0.9825
21	11S	0.9815
22	KUF	0.9812
23	G3E	0.9812
24	5QY	0.9808
25	ET2	0.9788
26	5OB	0.9788
27	7W4	0.9782
28	QUZ	0.9781
29	D48	0.9780
30	ES9	0.9775
31	FBB	0.9771
32	1P7	0.9771
33	KKN	0.9771
34	I3A	0.9764
35	RM1	0.9762
36	4JT	0.9760
37	ES7	0.9759
38	K2T	0.9758
39	NPY	0.9758
40	CWS	0.9757
41	H4N	0.9752
42	2MI	0.9747
43	MQN	0.9746
44	BZ3	0.9746
45	7HQ	0.9745
46	FK1	0.9745
47	8CM	0.9744
48	0P6	0.9744
49	2HQ	0.9739
50	J9W	0.9738
51	SE2	0.9736
52	AX7	0.9732
53	TTL	0.9732
54	270	0.9730
55	DIN	0.9729
56	5XC	0.9729
57	CLW	0.9729
58	36R	0.9727
59	PE0	0.9727
60	A7W	0.9726
61	MEW	0.9726
62	6M9	0.9725
63	XM0	0.9725
64	AZ8	0.9722
65	ES2	0.9721
66	J5I	0.9720
67	Q24	0.9717
68	8ZE	0.9716
69	KJH	0.9712
70	BGC	0.9705
71	0TU	0.9700
72	XQ0	0.9700
73	N2I	0.9700
74	TH7	0.9698
75	CTL	0.9697
76	M5K	0.9694
77	M1Q	0.9694
78	3ID	0.9693
79	AQO	0.9692
80	PXL	0.9691
81	1P8	0.9690
82	4HC	0.9689
83	86J	0.9688
84	7W1	0.9687
85	P92	0.9683
86	12Q	0.9683
87	1DW	0.9682
88	AJ2	0.9681
89	SYV	0.9681
90	173	0.9676
91	4YO	0.9675
92	HQT	0.9674
93	5B1	0.9669
94	KJU	0.9669
95	ISZ	0.9667
96	MRW	0.9666
97	F05	0.9665
98	VGD	0.9664
99	5QX	0.9661
100	5VM	0.9653
101	8NY	0.9652
102	BHO	0.9651
103	DMD	0.9650
104	2CK	0.9649
105	2BG	0.9648
106	GLC	0.9648
107	EA1	0.9644
108	XIY	0.9639
109	NPO	0.9633
110	MR1	0.9632
111	F9Y	0.9627
112	PHB	0.9619
113	SKA	0.9617
114	GTQ	0.9616
115	KDV	0.9614
116	CFI	0.9614
117	0RW	0.9613
118	67N	0.9611
119	HMH	0.9610
120	6M4	0.9610
121	5NU	0.9608
122	HBD	0.9607
123	NIZ	0.9606
124	5GU	0.9604
125	9EW	0.9601
126	PAB	0.9598
127	FA0	0.9594
128	M1A	0.9593
129	1M2	0.9590
130	9DG	0.9586
131	HLR	0.9582
132	5RG	0.9580
133	3Z8	0.9580
134	AZA	0.9578
135	XAN	0.9577
136	B62	0.9576
137	Q88	0.9572
138	SVN	0.9572
139	LT2	0.9572
140	3HA	0.9568
141	1PT	0.9566
142	SAL	0.9564
143	42A	0.9558
144	I1E	0.9557
145	GUN	0.9557
146	J9Q	0.9551
147	M6N	0.9550
148	URC	0.9550
149	DOB	0.9549
150	CWM	0.9549
151	AHR	0.9549
152	5CU	0.9546
153	M2K	0.9546
154	9R5	0.9546
155	BCU	0.9543
156	FYU	0.9542
157	BHA	0.9542
158	BEA	0.9540
159	NDH	0.9540
160	XHP	0.9537
161	4M0	0.9537
162	R8V	0.9537
163	44W	0.9536
164	54G	0.9536
165	ES0	0.9536
166	2D0	0.9535
167	3F0	0.9535
168	4YS	0.9533
169	9FL	0.9532
170	JA8	0.9530
171	FDB	0.9530
172	IGA	0.9530
173	6NT	0.9530
174	DHB	0.9529
175	G3F	0.9529
176	5M0	0.9528
177	QBK	0.9528
178	1Y6	0.9527
179	1SQ	0.9526
180	HQY	0.9526
181	LZM	0.9526
182	4P5	0.9525
183	QX4	0.9524
184	IV2	0.9523
185	DBH	0.9522
186	5SG	0.9522
187	A2F	0.9522
188	6GU	0.9521
189	NOJ	0.9521
190	1LQ	0.9520
191	0FO	0.9520
192	KT7	0.9519
193	24W	0.9518
194	6AP	0.9517
195	5RN	0.9516
196	GAB	0.9516
197	DQU	0.9514
198	OTW	0.9513
199	A29	0.9512
200	5Q0	0.9512
201	5IQ	0.9512
202	TGX	0.9512
203	JBK	0.9510
204	717	0.9510
205	AZ9	0.9506
206	6RQ	0.9504
207	0N7	0.9504
208	2EC	0.9504
209	N8Y	0.9503
210	FE DB1	0.9502
211	ES1	0.9502
212	3M0	0.9501
213	HIS	0.9501
214	1NP	0.9500
215	PBZ	0.9499
216	AJV	0.9497
217	0HN	0.9497
218	4NC	0.9497
219	15E	0.9497
220	BEZ	0.9497
221	DX4	0.9495
222	141	0.9495
223	DRL	0.9495
224	MUA	0.9494
225	HH5	0.9493
226	BE2	0.9492
227	XYP	0.9492
228	4MA	0.9491
229	0JD	0.9490
230	GCS	0.9490
231	826	0.9489
232	BTY	0.9488
233	O72	0.9487
234	4SV	0.9487
235	8OZ	0.9487
236	ADZ	0.9486
237	3U4	0.9486
238	2ZM	0.9486
239	3NY	0.9486
240	8GC	0.9486
241	JBE	0.9485
242	0HO	0.9485
243	5NI	0.9485
244	6PC	0.9485
245	4CS	0.9483
246	8H8	0.9482
247	INO	0.9482
248	44V	0.9481
249	N5J	0.9480
250	2HU	0.9480
251	JLZ	0.9480
252	ICO	0.9479
253	E7Z	0.9477
254	JPZ	0.9477
255	5JQ	0.9477
256	YH7	0.9477
257	XAZ	0.9477
258	TPA	0.9477
259	92K	0.9473
260	OAA	0.9473
261	F9P	0.9473
262	75K	0.9472
263	JBH	0.9471
264	BAM	0.9471
265	3AB	0.9470
266	94W	0.9468
267	DEN	0.9467
268	BEN	0.9466
269	P9P	0.9464
270	6ME	0.9464
271	HQD	0.9460
272	4AA	0.9459
273	7B4	0.9458
274	HDH	0.9456
275	CWJ	0.9455
276	1IT	0.9455
277	0W8	0.9455
278	FBM	0.9454
279	3HB	0.9453
280	ES6	0.9453
281	9CA	0.9452
282	P72	0.9452
283	LXC	0.9452
284	4MU	0.9451
285	BOA	0.9450
286	1LM	0.9448
287	54D	0.9447
288	5HN	0.9446
289	CFP	0.9445
290	8S0	0.9444
291	7VS	0.9442
292	MVN	0.9441
293	3NT	0.9441
294	NNO	0.9441
295	B57	0.9440
296	4A3	0.9440
297	97T	0.9440
298	32X	0.9439
299	SHA	0.9439
300	MAQ	0.9438
301	B60	0.9438
302	MO8	0.9437
303	6CS	0.9437
304	1XM	0.9436
305	9MG	0.9435
306	9TZ	0.9435
307	PHU	0.9434
308	NCA	0.9434
309	5MK	0.9433
310	174	0.9433
311	4HM	0.9431
312	6VD	0.9428
313	MLT	0.9428
314	53C	0.9427
315	290	0.9426
316	XBT	0.9426
317	2AK	0.9425
318	6NI	0.9423
319	XX2	0.9422
320	FHB	0.9422
321	1F1	0.9422
322	MWP	0.9422
323	YCP	0.9422
324	AZG	0.9420
325	4XH	0.9418
326	OVV	0.9416
327	SX1	0.9413
328	IND	0.9413
329	NIO	0.9413
330	15N	0.9413
331	K34	0.9412
332	3A9	0.9412
333	HLZ	0.9410
334	B55	0.9409
335	3MB	0.9408
336	OVM	0.9407
337	8TX	0.9406
338	NK	0.9404
339	BDP	0.9404
340	J9T	0.9402
341	2HO	0.9401
342	TH0	0.9399
343	Z82	0.9398
344	8WO	0.9397
345	G5V	0.9396
346	QWN	0.9396
347	AC0	0.9395
348	MYJ	0.9394
349	R9Y	0.9393
350	ABI	0.9392
351	BCP	0.9391
352	3HM	0.9390
353	WCE	0.9390
354	4WL	0.9389
355	B53	0.9388
356	FAN	0.9386
357	HMU	0.9386
358	93K	0.9385
359	BSX	0.9384
360	JAW	0.9384
361	NBZ	0.9383
362	M1E	0.9382
363	NQ	0.9380
364	HH8	0.9378
365	RXA	0.9378
366	5RO	0.9376
367	4XR	0.9375
368	4Z4	0.9373
369	CHB	0.9372
370	UNU	0.9371
371	VK3	0.9370
372	IDM	0.9369
373	RMN	0.9369
374	ODO	0.9368
375	4JP	0.9367
376	APZ	0.9364
377	LZ1	0.9361
378	BZI	0.9361
379	0R1	0.9360
380	PBA	0.9360
381	JKE	0.9359
382	ANN	0.9358
383	JBQ	0.9358
384	3BZ	0.9357
385	NTN	0.9357
386	GAL	0.9357
387	KOJ	0.9356
388	MS9	0.9354
389	4BZ	0.9354
390	BZF	0.9353
391	M0Q	0.9353
392	PBC	0.9353
393	HHA	0.9350
394	1WG	0.9350
395	5JL	0.9349
396	MPI	0.9348
397	OK7	0.9347
398	EQT	0.9343
399	DBX	0.9343
400	PNZ	0.9343
401	0CU	0.9342
402	3WA	0.9342
403	E1T	0.9341
404	HBA	0.9340
405	4ZA	0.9338
406	AC6	0.9338
407	SS1	0.9335
408	2CQ	0.9332
409	SOE	0.9332
410	FQI	0.9330
411	25W	0.9330
412	PYQ	0.9329
413	GVG	0.9327
414	PZA	0.9326
415	CLZ	0.9324
416	SW7	0.9324
417	PIM	0.9323
418	7MU	0.9322
419	1WD	0.9322
420	VGL	0.9321
421	L99	0.9321
422	GVH	0.9320
423	BZ2	0.9317
424	BE7	0.9316
425	GCU	0.9316
426	TT4	0.9315
427	NSP	0.9313
428	8WT	0.9310
429	DHQ	0.9310
430	PIY	0.9310
431	82I	0.9309
432	M0W	0.9308
433	TTY	0.9307
434	150	0.9303
435	7WV	0.9303
436	GRE	0.9302
437	0CT	0.9302
438	BRT	0.9301
439	MCT	0.9300
440	RSF	0.9300
441	JZ3	0.9299
442	9TW	0.9298
443	QSB	0.9296
444	E5X	0.9293
445	2FY	0.9292
446	ZBT	0.9292
447	QXW	0.9290
448	ASO	0.9290
449	3DM	0.9290
450	URF	0.9290
451	24B	0.9289
452	ESP	0.9288
453	DHR	0.9287
454	CH9	0.9286
455	DE5	0.9285
456	JND	0.9285
457	JB8	0.9283
458	7ME	0.9282
459	4ZC	0.9282
460	FP1	0.9281
461	3OC	0.9280
462	1MC	0.9279
463	4TU	0.9278
464	2FQ	0.9278
465	52C	0.9275
466	HPA	0.9274
467	ZZT	0.9273
468	M58	0.9271
469	7NI	0.9270
470	TSS	0.9270
471	GXY	0.9269
472	SWA	0.9269
473	XQG	0.9268
474	J9N	0.9268
475	275	0.9267
476	069	0.9266
477	PEY	0.9265
478	JDN	0.9265
479	XBZ	0.9264
480	DYA	0.9262
481	6M1	0.9261
482	4ZE	0.9260
483	GZL	0.9260
484	RSO	0.9258
485	J6W	0.9257
486	8IG	0.9256
487	2AC	0.9256
488	M1H	0.9255
489	KJY	0.9255
490	F31	0.9254
491	6F0	0.9252
492	OTR	0.9250
493	XYS	0.9247
494	PRF	0.9246
495	HQJ	0.9246
496	IWT	0.9245
497	MWM	0.9245
498	NID	0.9244
499	2ZV	0.9244
500	EUG	0.9244
501	G2F	0.9244
502	PQ0	0.9243
503	14J	0.9243
504	3IT	0.9243
505	WBU	0.9242
506	4VP	0.9242
507	OW4	0.9240
508	HA5	0.9240
509	XYD	0.9238
510	ADE	0.9237
511	ICB	0.9237
512	TDR	0.9237
513	0R0	0.9235
514	JG8	0.9235
515	PRZ	0.9235
516	TIU	0.9235
517	IHB	0.9231
518	DBJ	0.9230
519	UNC	0.9230
520	IFL	0.9229
521	ZYR	0.9228
522	4CL	0.9227
523	NCT	0.9226
524	1XN	0.9226
525	5JC	0.9226
526	TYL	0.9225
527	34A	0.9225
528	2MP	0.9225
529	CTS	0.9225
530	EYK	0.9224
531	4HO	0.9224
532	7ZE	0.9223
533	SAN	0.9223
534	TOF	0.9221
535	IPB	0.9220
536	DHK	0.9219
537	G6D	0.9219
538	4FA	0.9218
539	LKA	0.9218
540	GDE	0.9217
541	JZ2	0.9216
542	DNF	0.9215
543	SRO	0.9215
544	LGC	0.9215
545	PYD	0.9214
546	ICP	0.9214
547	GYE	0.9214
548	EN1	0.9213
549	Q6T	0.9212
550	51R	0.9212
551	6FZ	0.9212
552	4JJ	0.9211
553	MZG	0.9211
554	SRT	0.9209
555	10L	0.9209
556	SLS	0.9206
557	HC4	0.9206
558	45C	0.9205
559	A1U	0.9205
560	ESX	0.9202
561	2ZQ	0.9200
562	5WY	0.9200
563	9ZE	0.9199
564	L3Q	0.9198
565	PEA	0.9198
566	261	0.9196
567	QX2	0.9194
568	SKM	0.9194
569	23A	0.9193
570	NMJ	0.9193
571	PAC	0.9193
572	QSC	0.9192
573	BPN	0.9191
574	MSR	0.9189
575	2YU	0.9188
576	EVA	0.9188
577	HX3	0.9187
578	5MH	0.9184
579	PDC	0.9184
580	M4T	0.9183
581	INE	0.9182
582	3DO	0.9182
583	AKG	0.9182
584	E7S	0.9181
585	2A9	0.9180
586	JZ9	0.9180
587	VNJ	0.9180
588	FOT	0.9179
589	FCR	0.9177
590	3FH	0.9177
591	SWD	0.9176
592	43M	0.9176
593	PKU	0.9175
594	BZJ	0.9173
595	MWJ	0.9173
596	R9S	0.9173
597	4ME	0.9172
598	R8S	0.9171
599	BTE	0.9171
600	3SK	0.9171
601	2AL	0.9171
602	VNL	0.9171
603	M3H	0.9170
604	LMR	0.9170
605	6MP	0.9169
606	37T	0.9169
607	LDP	0.9169
608	MT0	0.9168
609	4NM	0.9166
610	0FN	0.9166
611	39O	0.9165
612	5UC	0.9165
613	9DA	0.9165
614	7WA	0.9165
615	F4E	0.9164
616	AEF	0.9164
617	495	0.9163
618	NDM	0.9163
619	FUD	0.9163
620	APG	0.9163
621	F4Z	0.9161
622	15L	0.9160
623	42C	0.9160
624	3XX	0.9160
625	2H5	0.9159
626	BK9	0.9158
627	PH2	0.9157
628	3QV	0.9154
629	FBV	0.9154
630	BR9	0.9153
631	1KP	0.9149
632	0FK	0.9149
633	6KT	0.9149
634	27Y	0.9148
635	TSU	0.9148
636	HT4	0.9146
637	V55	0.9146
638	8W9	0.9146
639	IFP	0.9145
640	UAN	0.9145
641	4M4	0.9145
642	IT2	0.9145
643	MXN	0.9143
644	9KT	0.9142
645	7HP	0.9142
646	9HX	0.9142
647	IJZ	0.9142
648	0F9	0.9138
649	4RU	0.9137
650	F0J	0.9137
651	EKZ	0.9137
652	TC7	0.9136
653	SXS	0.9136
654	PHE	0.9136
655	8HC	0.9135
656	1A7	0.9134
657	DPZ	0.9134
658	NOY	0.9134
659	2F6	0.9130
660	P3K	0.9129
661	K5W	0.9128
662	H8N	0.9127
663	92P	0.9126
664	23J	0.9124
665	HJP	0.9123
666	TM7	0.9122
667	CN0	0.9122
668	DGJ	0.9122
669	GJP	0.9121
670	9FE	0.9120
671	OA3	0.9120
672	BP1	0.9120
673	HHR	0.9120
674	ORO	0.9120
675	X0V	0.9118
676	CXF	0.9118
677	6TZ	0.9118
678	5VL	0.9118
679	AKH	0.9117
680	OXC	0.9116
681	YRL	0.9115
682	SHG	0.9115
683	7CZ	0.9114
684	FDR	0.9113
685	L5V	0.9111
686	C2U	0.9111
687	ESI	0.9108
688	5WX	0.9107
689	1P3	0.9107
690	HZQ	0.9106
691	1HN	0.9105
692	UFO	0.9104
693	39A	0.9103
694	Z5P	0.9100
695	AJY	0.9100
696	3R6	0.9099
697	TEP	0.9098
698	C2Y	0.9096
699	F81	0.9095
700	0BP	0.9095
701	2LP	0.9095
702	PZI	0.9094
703	AAS	0.9091
704	DIU	0.9091
705	LI6	0.9090
706	X05	0.9090
707	AN3	0.9090
708	27B	0.9089
709	ES4	0.9088
710	TLD	0.9087
711	ALL	0.9087
712	PD2	0.9084
713	GAF	0.9084
714	K97	0.9083
715	1DV	0.9083
716	SOR	0.9082
717	1U6	0.9081
718	0TR	0.9080
719	XCZ	0.9079
720	F5B	0.9078
721	Q71	0.9078
722	60P	0.9076
723	CFF	0.9076
724	TZF	0.9076
725	2LY	0.9075
726	ARB	0.9075
727	268	0.9073
728	4JO	0.9073
729	3Z7	0.9073
730	259	0.9070
731	DX3	0.9069
732	4JM	0.9066
733	PM6	0.9063
734	2MH	0.9063
735	IUR	0.9062
736	PJW	0.9061
737	QPR	0.9058
738	B5D	0.9058
739	DEE	0.9057
740	ROI	0.9056
741	RAM	0.9056
742	AMC	0.9056
743	OVP	0.9055
744	RB5	0.9055
745	RHU	0.9054
746	4J8	0.9052
747	FUL	0.9052
748	EXO	0.9052
749	7N0	0.9050
750	GTR	0.9049
751	J1Z	0.9047
752	7B3	0.9046
753	GLA	0.9045
754	3RK	0.9045
755	4JU	0.9045
756	BNL	0.9044
757	FBW	0.9042
758	GAG	0.9042
759	Q02	0.9041
760	FBS	0.9039
761	DIE	0.9039
762	8G0	0.9038
763	GBD	0.9038
764	GCB	0.9038
765	DOR	0.9038
766	WOO	0.9037
767	4FH	0.9036
768	GLU	0.9036
769	2KA	0.9035
770	LSA	0.9035
771	FB2	0.9035
772	ASC	0.9034
773	SMN	0.9034
774	IAC	0.9034
775	30G	0.9034
776	12T	0.9033
777	BMA	0.9033
778	HKD	0.9029
779	149	0.9029
780	SNU	0.9028
781	D07	0.9027
782	FBA	0.9027
783	DFB	0.9026
784	12B	0.9025
785	XXR	0.9025
786	3BU	0.9023
787	SJ5	0.9020
788	7VP	0.9020
789	QWW	0.9020
790	Y8I	0.9020
791	PXM	0.9020
792	1AL	0.9019
793	KBB	0.9019
794	4VY	0.9017
795	Q7A	0.9016
796	CPZ	0.9016
797	FGZ	0.9014
798	4SX	0.9014
799	DS0	0.9013
800	KYA	0.9012
801	FRU	0.9012
802	1GN	0.9012
803	45L	0.9010
804	PFB	0.9009
805	KBG	0.9008
806	RIP	0.9008
807	EDR	0.9006
808	0MK	0.9006
809	AMS	0.9005
810	7VJ	0.9004
811	AL0	0.9004
812	2FG	0.9002
813	GOJ	0.9000
814	X09	0.9000
815	QMP	0.9000
816	LCN	0.9000
817	428	0.9000
818	FUC	0.8999
819	PA1	0.8999
820	G1O	0.8996
821	OXQ	0.8996
822	1L5	0.8996
823	C2B	0.8996
824	209	0.8995
825	4XV	0.8994
826	329	0.8993
827	KTJ	0.8993
828	FB1	0.8991
829	MPV	0.8991
830	AMH	0.8990
831	KTW	0.8990
832	9RW	0.8990
833	QSH	0.8990
834	HX4	0.8990
835	FPY	0.8990
836	N2Z	0.8989
837	F12	0.8989
838	PMB	0.8989
839	YPN	0.8987
840	HIO	0.8987
841	0XT	0.8986
842	34D	0.8986
843	JXN	0.8985
844	HA7	0.8985
845	2PC	0.8984
846	OHP	0.8984
847	ISE	0.8984
848	4NB	0.8983
849	LNR	0.8981
850	MNM	0.8981
851	GCO	0.8981
852	JUG	0.8979
853	UEG	0.8979
854	FHC	0.8979
855	PRO	0.8979
856	TLA	0.8978
857	XRG	0.8978
858	FPI	0.8978
859	QOS	0.8977
860	5NE	0.8977
861	AW5	0.8976
862	M4E	0.8975
863	PY7	0.8975
864	TP5	0.8973
865	286	0.8972
866	36E	0.8970
867	C21	0.8969
868	HSO	0.8968
869	IDH	0.8968
870	FOA	0.8968
871	MAN	0.8967
872	GUA	0.8967
873	5LA	0.8965
874	H33	0.8965
875	NVU	0.8965
876	FBT	0.8964
877	HBX	0.8964
878	TAR	0.8962
879	SYN	0.8962
880	X6X	0.8962
881	PYF	0.8961
882	M6W	0.8960
883	UNJ	0.8960
884	D1X	0.8958
885	GIV	0.8958
886	HPS	0.8956
887	XYL	0.8956
888	PCA	0.8955
889	7WG	0.8955
890	JIF	0.8953
891	GXL	0.8953
892	091	0.8951
893	ZVO	0.8951
894	3SL	0.8951
895	8XL	0.8949
896	258	0.8948
897	20J	0.8948
898	ADA	0.8947
899	0W1	0.8946
900	1SA	0.8946
901	HQE	0.8945
902	IF7	0.8944
903	6LW	0.8943
904	4JL	0.8942
905	4BL	0.8941
906	1WC	0.8940
907	QY9	0.8939
908	FK8	0.8937
909	680	0.8937
910	XXP	0.8937
911	AFR	0.8935
912	TWO	0.8935
913	SMV	0.8934
914	HCI	0.8933
915	ASP	0.8933
916	XUL	0.8931
917	ONR	0.8929
918	JFJ	0.8929
919	L22	0.8927
920	BNF	0.8926
921	PHH	0.8923
922	PZM	0.8923
923	R8A	0.8922
924	M4S	0.8920
925	0LH	0.8920
926	WOT	0.8920
927	ABN	0.8919
928	4BY	0.8919
929	URP	0.8919
930	GIO	0.8919
931	MAJ	0.8918
932	NBE	0.8917
933	DFU	0.8917
934	YIO	0.8917
935	TBS	0.8916
936	GM7	0.8915
937	265	0.8915
938	LG4	0.8915
939	A7H	0.8913
940	DTL	0.8913
941	K17	0.8912
942	2HC	0.8911
943	273	0.8911
944	AA	0.8910
945	MZW	0.8910
946	PLQ	0.8909
947	T9G	0.8908
948	INS	0.8907
949	282	0.8905
950	KIB	0.8904
951	JTH	0.8904
952	FLV	0.8903
953	226	0.8903
954	DHS	0.8902
955	GJS	0.8901
956	JBN	0.8901
957	A5E	0.8900
958	FCA	0.8900
959	PYC	0.8900
960	VXX	0.8899
961	LQ2	0.8898
962	PXY	0.8898
963	HHI	0.8898
964	FA1	0.8897
965	R20	0.8896
966	BPU	0.8893
967	SN4	0.8892
968	3MG	0.8892
969	X0U	0.8891
970	PCR	0.8891
971	SNO	0.8891
972	DMJ	0.8890
973	ABE	0.8890
974	RD4	0.8890
975	S76	0.8889
976	1DU	0.8889
977	JU2	0.8888
978	GIF	0.8888
979	7MH	0.8887
980	FBJ	0.8886
981	PX7	0.8886
982	MAE	0.8886
983	4XS	0.8885
984	G12	0.8884
985	OGA	0.8884
986	GZ8	0.8883
987	AGK	0.8881
988	SVD	0.8880
989	KTA	0.8880
990	2O6	0.8879
991	A09	0.8879
992	TZC	0.8877
993	PEL	0.8877
994	FPN	0.8876
995	RIB	0.8876
996	64K	0.8875
997	4V2	0.8874
998	PPY	0.8872
999	HY3	0.8872
1000	28N	0.8871
1001	FDK	0.8870
1002	BPY	0.8869
1003	25R	0.8869
1004	PYG	0.8868
1005	GOO	0.8866
1006	DA1	0.8865
1007	3ZB	0.8865
1008	RAT	0.8862
1009	GJZ	0.8860
1010	JFD	0.8859
1011	TEO	0.8859
1012	A13	0.8858
1013	ADK	0.8857
1014	GNM	0.8855
1015	3MA	0.8855
1016	RNS	0.8855
1017	RNO	0.8854
1018	ANF	0.8854
1019	CIT	0.8854
1020	LDR	0.8853
1021	UFV	0.8853
1022	M2H	0.8852
1023	HBO	0.8851
1024	T6C	0.8851
1025	95Z	0.8851
1026	3QM	0.8850
1027	CXP	0.8849
1028	2K8	0.8849
1029	5XB	0.8848
1030	BNS	0.8846
1031	AZF	0.8846
1032	5TY	0.8845
1033	VOH	0.8844
1034	G4D	0.8841
1035	PRY	0.8840
1036	X8D	0.8838
1037	HXX	0.8838
1038	9AP	0.8836
1039	ZXD	0.8832
1040	6QF	0.8831
1041	QAT	0.8831
1042	PO6	0.8830
1043	MZB	0.8830
1044	HHH	0.8828
1045	CRS	0.8828
1046	CK2	0.8827
1047	RCO	0.8826
1048	PEP	0.8825
1049	PFL	0.8825
1050	NK2	0.8825
1051	NCD	0.8824
1052	LYL	0.8820
1053	42J	0.8819
1054	GLL	0.8818
1055	H76	0.8817
1056	344	0.8815
1057	5WU	0.8815
1058	36Y	0.8815
1059	H4E	0.8814
1060	XDE	0.8814
1061	MBG	0.8813
1062	23W	0.8812
1063	1XA	0.8812
1064	4CH	0.8811
1065	C2A	0.8811
1066	BDF	0.8810
1067	SR1	0.8810
1068	4KL	0.8809
1069	4HS	0.8809
1070	DHY	0.8809
1071	GLF	0.8808
1072	FH2	0.8808
1073	8NX	0.8807
1074	3CH	0.8806
1075	BML	0.8805
1076	ZZZ	0.8804
1077	4LW	0.8804
1078	IFM	0.8803
1079	NTZ	0.8801
1080	V1T	0.8800
1081	GLT	0.8800
1082	HFB	0.8799
1083	RPQ	0.8799
1084	7MX	0.8798
1085	JAB	0.8797
1086	SIN	0.8797
1087	FA3	0.8797
1088	JZ5	0.8795
1089	URA	0.8795
1090	61M	0.8794
1091	DRG	0.8793
1092	Q77	0.8793
1093	RUY	0.8792
1094	OXZ	0.8791
1095	5WZ	0.8790
1096	GO2	0.8789
1097	GOX	0.8787
1098	2XX	0.8787
1099	F1A	0.8786
1100	0OC	0.8786
1101	OMD	0.8786
1102	BCF	0.8785
1103	HHS	0.8784
1104	UY7	0.8784
1105	284	0.8784
1106	KYD	0.8783
1107	7WR	0.8783
1108	URS	0.8783
1109	M45	0.8782
1110	QIC	0.8782
1111	JP2	0.8780
1112	SKF	0.8779
1113	JZ4	0.8778
1114	4JC	0.8776
1115	OW7	0.8775
1116	6BL	0.8775
1117	RBL	0.8775
1118	YSO	0.8774
1119	5CL	0.8773
1120	EXD	0.8772
1121	ZZ8	0.8770
1122	NAG	0.8770
1123	4JN	0.8769
1124	DA4	0.8767
1125	DQN	0.8765
1126	EV0	0.8762
1127	KW8	0.8761
1128	TAG	0.8760
1129	1MR	0.8760
1130	5NS	0.8760
1131	I3E	0.8758
1132	DHI	0.8758
1133	JZ1	0.8758
1134	AX3	0.8757
1135	TSR	0.8756
1136	OHG	0.8754
1137	H5B	0.8753
1138	D3G	0.8752
1139	K32	0.8752
1140	DNC	0.8752
1141	PQK	0.8752
1142	R2P	0.8751
1143	PAF	0.8751
1144	1LN	0.8751
1145	JYB	0.8751
1146	URQ	0.8750
1147	CYT	0.8750
1148	3R4	0.8749
1149	O2A	0.8749
1150	3MC	0.8749
1151	M6Z	0.8748
1152	GMN	0.8748
1153	BBF	0.8747
1154	GLN	0.8747
1155	9PY	0.8745
1156	EVF	0.8744
1157	XX3	0.8744
1158	2HG	0.8744
1159	QAS	0.8743
1160	BIK	0.8743
1161	CKA	0.8742
1162	IP0	0.8742
1163	AY4	0.8742
1164	MBD	0.8741
1165	BSP	0.8740
1166	I1N	0.8739
1167	3FA	0.8738
1168	LG3	0.8737
1169	GF4	0.8731
1170	DNA	0.8729
1171	K8X	0.8729
1172	68A	0.8729
1173	BVF	0.8729
1174	LG5	0.8729
1175	JF1	0.8729
1176	S2G	0.8728
1177	ZWZ	0.8728
1178	GOG	0.8728
1179	2MY	0.8728
1180	SEP	0.8727
1181	R67	0.8727
1182	ZZ3	0.8726
1183	2C9	0.8725
1184	HNQ	0.8725
1185	N1E	0.8725
1186	TM4	0.8723
1187	SYA	0.8723
1188	MAK	0.8721
1189	7MK	0.8721
1190	4P0	0.8720
1191	N3W	0.8720
1192	1Z6	0.8720
1193	948	0.8719
1194	FFP	0.8719
1195	H62	0.8719
1196	W81	0.8719
1197	L14	0.8718
1198	SME	0.8718
1199	K6X	0.8717
1200	PHT	0.8716
1201	FUM	0.8716
1202	JXW	0.8716
1203	S7J	0.8715
1204	6MH	0.8715
1205	HYP	0.8713
1206	TBP	0.8713
1207	THA	0.8712
1208	ARP	0.8711
1209	EJZ	0.8710
1210	JF2	0.8708
1211	2GS	0.8708
1212	BNT	0.8706
1213	2FT	0.8706
1214	3CE	0.8706
1215	APS	0.8705
1216	FLM	0.8705
1217	FBU	0.8704
1218	K22	0.8703
1219	8XQ	0.8703
1220	47J	0.8702
1221	RM4	0.8702
1222	ANC	0.8701
1223	LDU	0.8701
1224	MFB	0.8700
1225	26D	0.8700
1226	8K2	0.8700
1227	2CM	0.8699
1228	MHK	0.8698
1229	MT5	0.8698
1230	E35	0.8697
1231	SD4	0.8696
1232	NHG	0.8696
1233	IBF	0.8695
1234	FLC	0.8695
1235	HGQ	0.8694
1236	GGL	0.8690
1237	YZM	0.8690
1238	RJY	0.8687
1239	A65	0.8686
1240	DUB	0.8686
1241	KLW	0.8685
1242	LPK	0.8684
1243	NTM	0.8683
1244	ARA	0.8679
1245	L7T	0.8677
1246	GV9	0.8673
1247	OXE	0.8673
1248	X0W	0.8672
1249	TIY	0.8671
1250	ZB1	0.8671
1251	3J8	0.8670
1252	XXG	0.8670
1253	F2W	0.8668
1254	G3P	0.8668
1255	G3H	0.8668
1256	IOL	0.8667
1257	F3B	0.8666
1258	E3D	0.8666
1259	SF9	0.8664
1260	FUF	0.8663
1261	YTB	0.8662
1262	CAQ	0.8661
1263	H7Y	0.8660
1264	PCI	0.8660
1265	BP9	0.8660
1266	AHB	0.8659
1267	MRZ	0.8659
1268	KGK	0.8658
1269	NGO	0.8657
1270	YQA	0.8656
1271	M1Z	0.8656
1272	HSM	0.8655
1273	B85	0.8655
1274	P9E	0.8654
1275	2PG	0.8651
1276	GCW	0.8651
1277	1DQ	0.8649
1278	XLS	0.8648
1279	13P	0.8647
1280	GLO	0.8646
1281	4H2	0.8644
1282	R2B	0.8644
1283	8GF	0.8642
1284	LZ2	0.8641
1285	FCB	0.8641
1286	GCV	0.8641
1287	EMZ	0.8640
1288	TXW	0.8640
1289	HFA	0.8639
1290	MSN	0.8638
1291	OKG	0.8637
1292	M3T	0.8635
1293	B3R	0.8633
1294	NLA	0.8631
1295	I6G	0.8630
1296	HEW	0.8628
1297	449	0.8628
1298	4I8	0.8627
1299	6X8	0.8626
1300	S0E	0.8625
1301	35C	0.8623
1302	HLD	0.8623
1303	DHC	0.8623
1304	FPK	0.8621
1305	795	0.8619
1306	2CH	0.8619
1307	GT0	0.8618
1308	9X7	0.8615
1309	7D2	0.8615
1310	3MH	0.8613
1311	ASN	0.8611
1312	SS2	0.8607
1313	EGR	0.8606
1314	3AE	0.8605
1315	KFH	0.8600
1316	39U	0.8599
1317	FBF	0.8596
1318	BEW	0.8594
1319	36M	0.8589
1320	JF6	0.8584
1321	GZ3	0.8583
1322	HSE	0.8581
1323	C9E	0.8579
1324	CIG	0.8578
1325	94N	0.8577
1326	06B	0.8577
1327	0GZ	0.8576
1328	6FB	0.8574
1329	6R8	0.8572
1330	MJ2	0.8571
1331	NYL	0.8571
1332	1XX	0.8570
1333	EOL	0.8569
1334	DPT	0.8567
1335	KMY	0.8566
1336	3AL	0.8560
1337	TZE	0.8560
1338	GGB	0.8560
1339	LRH	0.8560
1340	A7N	0.8558
1341	HHQ	0.8557
1342	EUE	0.8548
1343	HTS	0.8544
1344	8NB	0.8542
1345	LR5	0.8540
1346	NGT	0.8539
1347	L89	0.8538
1348	1AN	0.8537
1349	PMF	0.8535
1350	SYG	0.8532
1351	FP2	0.8528
1352	TYE	0.8528
1353	N0Z	0.8522
1354	2AF	0.8522
1355	3V4	0.8520
1356	5GT	0.8515

Ligand no: 2; Ligand: FMN; Similar ligands found: 10

No:	Ligand	Similarity coefficient
1	7O6	0.9670
2	4X4	0.8996
3	4LU	0.8884
4	E2U	0.8865
5	HDF	0.8834
6	AFQ	0.8817
7	E2X	0.8805
8	E89	0.8698
9	1WJ	0.8673
10	FZZ	0.8606

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

Pocket No.: 1; Query (leader) PDB : 2H8Z; Ligand: 8CM; 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: 2h8z.bio1) has 5 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 2H8Z; Ligand: 8CM; 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: 2h8z.bio1) has 5 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 2H8Z; Ligand: 8CM; Similar sites found with APoc: 2

This union binding pocket(no: 3) in the query (biounit: 2h8z.bio1) has 76 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6AGZ	FMN	32.8691
2	6UFF	FMN	41.5042

Pocket No.: 4; Query (leader) PDB : 2H8Z; Ligand: 8CM; 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: 2h8z.bio1) has 76 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 2H8Z; Ligand: 8CM; Similar sites found with APoc: 3

This union binding pocket(no: 5) in the query (biounit: 2h8z.bio1) has 4 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	2IYA	ZIO	3.62117
2	2IYA	ZIO	3.62117
3	2DT9	THR	7.78443

Pocket No.: 6; Query (leader) PDB : 2H8Z; Ligand: 8CM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 6) in the query (biounit: 2h8z.bio1) has 4 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 7; Query (leader) PDB : 2H8Z; Ligand: FMN; Similar sites found with APoc: 2

This union binding pocket(no: 7) in the query (biounit: 2h8z.bio1) has 76 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6AGZ	FMN	32.8691
2	6UFF	FMN	41.5042

Pocket No.: 8; Query (leader) PDB : 2H8Z; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 8) in the query (biounit: 2h8z.bio1) has 76 residues
No:	Leader PDB	Ligand	Sequence Similarity

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