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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6bur	2.18 Å	EC: 3.5.2.15	CRYSTAL STRUCTURES OF CYANURIC ACID HYDROLASE FROM MOORELLA THERMOACETICA COMPLEXED WITH BARBITURIC ACID	MOORELLA THERMOACETICA ATCC 39073	CYANURIC ACID HYDROLASE HYDROLASE
Ref.:	CRYSTAL STRUCTURES OF MOORELLA THERMOACETICA CYANUR HYDROLASE REVEAL CONFORMATIONAL FLEXIBILITY AND ASY IMPORTANT FOR CATALYSIS. PLOS ONE V. 14 16979 2019

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
CA	A:403; D:402; C:402; B:402;	Part of Protein; Part of Protein; Part of Protein; Part of Protein;	none; none; none; none;	submit data	40.078	Ca	[Ca+2...
BR8	D:401; B:401; A:401; C:401;	Valid; Valid; Valid; Valid;	none; none; none; none;	submit data	128.086	C4 H4 N2 O3	C1C(=...
MLI	A:402;	Valid;	none;	submit data	102.046	C3 H2 O4	C(C(=...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6BUM	1.51 Å	EC: 3.5.2.15	CRYSTAL STRUCTURES OF CYANURIC ACID HYDROLASE FROM MOORELLA THERMOACETICA	MOORELLA THERMOACETICA (STRAIN ATCC 399320)	HYDROLASE
Ref.:	CRYSTAL STRUCTURES OF MOORELLA THERMOACETICA CYANUR HYDROLASE REVEAL CONFORMATIONAL FLEXIBILITY AND ASY IMPORTANT FOR CATALYSIS. PLOS ONE V. 14 16979 2019

Members (7)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6BUR	-	BR8	C4 H4 N2 O3	C1C(=O)NC(....
2	6BUM	-	MLI	C3 H2 O4	C(C(=O)[O-....
3	6BUN	-	MLI	C3 H2 O4	C(C(=O)[O-....
4	6BUQ	-	BR8	C4 H4 N2 O3	C1C(=O)NC(....
5	6BUP	-	WDL	C3 H3 N3 O3	c1(nc(nc(n....
6	6CWJ	-	6JN	C5 H6 O5	C(C(=O)CC(....
7	6BUO	-	MLI	C3 H2 O4	C(C(=O)[O-....

70% Homology Family (7)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6BUR	-	BR8	C4 H4 N2 O3	C1C(=O)NC(....
2	6BUM	-	MLI	C3 H2 O4	C(C(=O)[O-....
3	6BUN	-	MLI	C3 H2 O4	C(C(=O)[O-....
4	6BUQ	-	BR8	C4 H4 N2 O3	C1C(=O)NC(....
5	6BUP	-	WDL	C3 H3 N3 O3	c1(nc(nc(n....
6	6CWJ	-	6JN	C5 H6 O5	C(C(=O)CC(....
7	6BUO	-	MLI	C3 H2 O4	C(C(=O)[O-....

50% Homology Family (8)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6BUR	-	BR8	C4 H4 N2 O3	C1C(=O)NC(....
2	6BUM	-	MLI	C3 H2 O4	C(C(=O)[O-....
3	6BUN	-	MLI	C3 H2 O4	C(C(=O)[O-....
4	6BUQ	-	BR8	C4 H4 N2 O3	C1C(=O)NC(....
5	6BUP	-	WDL	C3 H3 N3 O3	c1(nc(nc(n....
6	6CWJ	-	6JN	C5 H6 O5	C(C(=O)CC(....
7	6BUO	-	MLI	C3 H2 O4	C(C(=O)[O-....
8	5HY1	-	WDL	C3 H3 N3 O3	c1(nc(nc(n....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: BR8; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	BR8	1	1
2	HYN	0.52381	0.638298

Ligand no: 2; Ligand: MLI; Similar ligands found: 3

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	MLI	1	1
2	OAA	0.5	0.666667
3	OXL	0.416667	0.642857

Similar Ligands (3D)

Ligand no: 1; Ligand: BR8; Similar ligands found: 658

No:	Ligand	Similarity coefficient
1	AX2	1.0000
2	13X	1.0000
3	WDL	1.0000
4	6UA	1.0000
5	5AN	1.0000
6	3AY	0.9998
7	ERH	0.9965
8	2ZX	0.9965
9	5ZE	0.9959
10	TCZ	0.9786
11	2A7	0.9724
12	CRS	0.9722
13	JIF	0.9717
14	2DR	0.9716
15	RCO	0.9689
16	URA	0.9677
17	S76	0.9677
18	26D	0.9676
19	284	0.9673
20	LG3	0.9669
21	CYT	0.9659
22	LG5	0.9644
23	JFD	0.9632
24	3CH	0.9620
25	8GF	0.9610
26	7MH	0.9607
27	XYP	0.9606
28	35C	0.9600
29	AUD	0.9584
30	DUC	0.9566
31	BVF	0.9556
32	9HX	0.9556
33	7HP	0.9553
34	ZZ3	0.9551
35	ADE	0.9548
36	BTE	0.9547
37	HPA	0.9542
38	9DA	0.9527
39	PYG	0.9525
40	T6C	0.9516
41	IDH	0.9501
42	25W	0.9497
43	CIG	0.9496
44	7WA	0.9496
45	10L	0.9494
46	MBD	0.9487
47	PM6	0.9485
48	2C9	0.9483
49	G6D	0.9478
50	3FA	0.9469
51	JZ3	0.9466
52	DUB	0.9462
53	6MP	0.9457
54	ES4	0.9456
55	BP1	0.9456
56	M3T	0.9454
57	47J	0.9452
58	4H2	0.9449
59	2CM	0.9444
60	B3R	0.9443
61	ADK	0.9430
62	3MA	0.9430
63	GUN	0.9429
64	3MC	0.9428
65	2MY	0.9426
66	FFP	0.9425
67	12M	0.9421
68	GMN	0.9418
69	23A	0.9415
70	IGA	0.9408
71	GIO	0.9407
72	6MH	0.9404
73	HGQ	0.9403
74	TBP	0.9401
75	FLM	0.9399
76	FUL	0.9395
77	XAN	0.9385
78	A2F	0.9384
79	3CE	0.9384
80	9DG	0.9383
81	AZG	0.9382
82	AZA	0.9379
83	SWD	0.9374
84	6AP	0.9373
85	HPY	0.9367
86	290	0.9365
87	F5B	0.9364
88	141	0.9360
89	HEW	0.9357
90	URF	0.9352
91	TM4	0.9352
92	XXR	0.9352
93	HHQ	0.9348
94	DX4	0.9347
95	QOS	0.9346
96	A1U	0.9340
97	BOA	0.9334
98	R8A	0.9334
99	3MH	0.9333
100	MWM	0.9332
101	WBU	0.9325
102	CFP	0.9325
103	4ZE	0.9324
104	CXL	0.9321
105	ICP	0.9321
106	6GU	0.9316
107	2AC	0.9315
108	1MC	0.9314
109	TDR	0.9313
110	RSF	0.9307
111	3ZQ	0.9305
112	ORO	0.9303
113	MCT	0.9302
114	2MP	0.9300
115	34A	0.9296
116	YH7	0.9296
117	1XM	0.9295
118	XBZ	0.9284
119	0CU	0.9281
120	XYS	0.9280
121	285	0.9279
122	XYD	0.9279
123	1XN	0.9275
124	GBD	0.9275
125	40O	0.9272
126	275	0.9272
127	4HO	0.9272
128	DOR	0.9270
129	MFB	0.9262
130	TM7	0.9261
131	FUC	0.9257
132	43M	0.9256
133	CAQ	0.9253
134	BCP	0.9252
135	FCB	0.9251
136	EXO	0.9250
137	8LG	0.9248
138	92Z	0.9246
139	94N	0.9246
140	PYD	0.9245
141	HT4	0.9244
142	CYH	0.9244
143	LXC	0.9242
144	4CL	0.9241
145	5UC	0.9241
146	G3F	0.9237
147	4JJ	0.9235
148	HH5	0.9234
149	TH0	0.9231
150	NK	0.9227
151	GLC	0.9225
152	GAG	0.9222
153	3Z7	0.9219
154	H3M	0.9219
155	27Y	0.9217
156	L89	0.9215
157	286	0.9214
158	2YU	0.9213
159	RM4	0.9213
160	JZ2	0.9210
161	OXQ	0.9208
162	4JO	0.9207
163	RNS	0.9204
164	AHR	0.9203
165	FP2	0.9202
166	JBE	0.9202
167	BGC	0.9201
168	OXC	0.9200
169	5JC	0.9196
170	2AF	0.9195
171	BR9	0.9195
172	5MH	0.9194
173	60P	0.9194
174	P3K	0.9189
175	IFM	0.9189
176	MZG	0.9187
177	76X	0.9187
178	1AN	0.9186
179	IUR	0.9185
180	MWJ	0.9185
181	SAL	0.9184
182	D1X	0.9181
183	ES6	0.9176
184	II6	0.9172
185	8S0	0.9170
186	BE2	0.9167
187	R8S	0.9162
188	1WD	0.9161
189	JZ0	0.9161
190	4SV	0.9159
191	GCS	0.9159
192	HY3	0.9158
193	93Q	0.9155
194	RP7	0.9154
195	HAI	0.9153
196	DFB	0.9150
197	3U4	0.9147
198	IPZ	0.9145
199	ICC	0.9145
200	ECE	0.9143
201	OXE	0.9142
202	FUF	0.9138
203	O7U	0.9136
204	34D	0.9136
205	C2A	0.9136
206	FYU	0.9134
207	CWM	0.9133
208	2CH	0.9124
209	JKE	0.9123
210	TLD	0.9122
211	0R0	0.9120
212	938	0.9119
213	V1L	0.9116
214	ES0	0.9108
215	M2H	0.9107
216	ISE	0.9106
217	HSL	0.9105
218	0TR	0.9104
219	5AC	0.9101
220	Y8I	0.9097
221	HTS	0.9094
222	IPH	0.9093
223	280	0.9089
224	278	0.9084
225	FPK	0.9083
226	BEW	0.9079
227	SEJ	0.9075
228	OXZ	0.9074
229	AZF	0.9074
230	7WV	0.9074
231	4AP	0.9073
232	0MK	0.9073
233	AW5	0.9072
234	SVN	0.9068
235	F81	0.9065
236	Q88	0.9064
237	KIA	0.9062
238	FPI	0.9062
239	KYD	0.9061
240	5Q0	0.9061
241	MBN	0.9059
242	9PO	0.9058
243	N5J	0.9055
244	NMJ	0.9055
245	HQY	0.9054
246	7CZ	0.9053
247	MB3	0.9053
248	HRZ	0.9052
249	KSW	0.9051
250	M1E	0.9048
251	3AP	0.9048
252	2AP	0.9048
253	2IM	0.9045
254	282	0.9045
255	O72	0.9045
256	JPZ	0.9044
257	JBH	0.9044
258	NOJ	0.9042
259	4YS	0.9038
260	MLT	0.9036
261	64K	0.9036
262	ES1	0.9034
263	0CT	0.9034
264	1NP	0.9031
265	5SG	0.9030
266	NEQ	0.9029
267	ARB	0.9029
268	FCA	0.9028
269	1LM	0.9027
270	WOT	0.9026
271	DTI	0.9026
272	6X8	0.9026
273	ARA	0.9026
274	4ZC	0.9025
275	INS	0.9025
276	NTM	0.9018
277	9EW	0.9017
278	7NI	0.9017
279	5IQ	0.9012
280	MMZ	0.9010
281	RIB	0.9010
282	GVH	0.9010
283	GAL	0.9009
284	23W	0.9008
285	1LQ	0.9007
286	7HQ	0.9007
287	HVK	0.9005
288	5CL	0.9004
289	VNJ	0.9003
290	EQT	0.9002
291	A2Q	0.9001
292	KIB	0.9000
293	YAN	0.9000
294	XQG	0.8999
295	HZQ	0.8999
296	FOT	0.8999
297	5RG	0.8998
298	RIP	0.8996
299	BMA	0.8996
300	RAM	0.8995
301	24T	0.8995
302	HFB	0.8995
303	MT0	0.8992
304	4JP	0.8992
305	9TY	0.8992
306	PHT	0.8990
307	UNC	0.8989
308	AKH	0.8988
309	24W	0.8987
310	F05	0.8985
311	C2U	0.8985
312	8CL	0.8984
313	1SQ	0.8981
314	IND	0.8980
315	HJP	0.8980
316	KLW	0.8979
317	1XX	0.8977
318	MEV	0.8976
319	495	0.8976
320	BZI	0.8976
321	39A	0.8975
322	M1A	0.8975
323	Q6T	0.8973
324	67N	0.8972
325	4XR	0.8971
326	LGA	0.8970
327	HH8	0.8968
328	0R1	0.8967
329	H76	0.8966
330	5M0	0.8966
331	BCF	0.8966
332	ADZ	0.8963
333	GXE	0.8963
334	G4D	0.8963
335	URQ	0.8963
336	3RK	0.8959
337	PYF	0.8959
338	BBF	0.8955
339	SYN	0.8954
340	DGY	0.8954
341	AS3	0.8953
342	BZF	0.8952
343	GLA	0.8952
344	EV0	0.8946
345	IJZ	0.8945
346	3XX	0.8945
347	DPF	0.8944
348	8GC	0.8944
349	149	0.8943
350	7EX	0.8943
351	N8P	0.8943
352	HBX	0.8942
353	LZ1	0.8941
354	B53	0.8941
355	HMH	0.8941
356	MPI	0.8939
357	8IG	0.8936
358	IBF	0.8936
359	AMC	0.8935
360	3NT	0.8934
361	B55	0.8933
362	DFU	0.8933
363	2FG	0.8930
364	9MG	0.8930
365	JZ1	0.8928
366	2ZV	0.8926
367	261	0.8925
368	LGC	0.8924
369	ZZT	0.8923
370	2D0	0.8922
371	4CS	0.8922
372	DIE	0.8921
373	DMI	0.8921
374	DQN	0.8921
375	4XH	0.8921
376	7B4	0.8919
377	3F0	0.8919
378	L3Q	0.8915
379	1DW	0.8914
380	F0J	0.8913
381	ABN	0.8913
382	F3B	0.8912
383	42C	0.8912
384	AGK	0.8912
385	DEN	0.8910
386	ZWZ	0.8909
387	PAF	0.8909
388	I3A	0.8908
389	GTQ	0.8908
390	NBE	0.8906
391	IDM	0.8904
392	2H5	0.8903
393	HMU	0.8900
394	L60	0.8900
395	4PW	0.8899
396	TMT	0.8898
397	CEJ	0.8898
398	6F0	0.8895
399	FPY	0.8894
400	HLR	0.8893
401	5HN	0.8892
402	6CS	0.8891
403	PY7	0.8890
404	TTO	0.8889
405	JZ9	0.8889
406	JBK	0.8889
407	54G	0.8888
408	IP0	0.8888
409	3M0	0.8886
410	FE DB1	0.8884
411	1WG	0.8880
412	SHG	0.8879
413	GAB	0.8878
414	GRE	0.8875
415	GIF	0.8873
416	329	0.8871
417	LSA	0.8867
418	6AI	0.8866
419	HHN	0.8866
420	3AB	0.8865
421	PXL	0.8864
422	5WX	0.8864
423	ITN	0.8862
424	53C	0.8861
425	3SK	0.8860
426	MSN	0.8860
427	APY	0.8859
428	MAN	0.8858
429	GIV	0.8857
430	3HB	0.8853
431	SER	0.8853
432	1MR	0.8852
433	HLZ	0.8851
434	CIZ	0.8848
435	PIH	0.8847
436	1GN	0.8847
437	YHO	0.8846
438	PE0	0.8845
439	DBH	0.8844
440	ASP	0.8844
441	OVV	0.8842
442	N7P	0.8841
443	0RW	0.8840
444	PCI	0.8840
445	5MK	0.8839
446	V55	0.8838
447	4XX	0.8838
448	3OC	0.8837
449	GYE	0.8836
450	TMZ	0.8835
451	4AX	0.8830
452	BZX	0.8830
453	260	0.8828
454	2CQ	0.8828
455	7VS	0.8826
456	WCE	0.8826
457	8TX	0.8826
458	DHK	0.8826
459	2XX	0.8822
460	93B	0.8821
461	FDB	0.8819
462	E60	0.8818
463	3MG	0.8817
464	3HA	0.8817
465	12B	0.8815
466	6HQ	0.8814
467	PFB	0.8814
468	45C	0.8813
469	9TZ	0.8812
470	YSO	0.8810
471	URC	0.8809
472	LMR	0.8809
473	MFU	0.8807
474	MBG	0.8806
475	3DM	0.8804
476	9X7	0.8804
477	51F	0.8803
478	KBG	0.8801
479	SX1	0.8801
480	DBJ	0.8801
481	BTY	0.8801
482	DAB	0.8800
483	PA1	0.8800
484	150	0.8799
485	YIO	0.8797
486	75K	0.8790
487	Q24	0.8790
488	HGW	0.8790
489	GLY PRO	0.8788
490	1P3	0.8786
491	G2F	0.8786
492	FP1	0.8785
493	VAL	0.8785
494	B24	0.8784
495	OEM	0.8784
496	4HM	0.8783
497	PYJ	0.8783
498	YCP	0.8781
499	HX3	0.8781
500	M6N	0.8781
501	14O	0.8779
502	AZ8	0.8778
503	UEG	0.8777
504	6M4	0.8776
505	ES9	0.8776
506	QX2	0.8775
507	3BZ	0.8774
508	I1N	0.8773
509	CYS	0.8773
510	24B	0.8767
511	TFU	0.8765
512	BRT	0.8763
513	3MB	0.8762
514	6JN	0.8761
515	5JL	0.8760
516	4M4	0.8760
517	KOJ	0.8758
518	KIV	0.8757
519	YTB	0.8753
520	X6X	0.8753
521	J9W	0.8753
522	MEW	0.8751
523	QWW	0.8750
524	KPL	0.8750
525	2K4	0.8747
526	5MB	0.8746
527	DRL	0.8745
528	42A	0.8745
529	CRN	0.8745
530	XAZ	0.8742
531	5NU	0.8742
532	B2J	0.8738
533	6M1	0.8737
534	M0Q	0.8733
535	BEZ	0.8733
536	M5K	0.8731
537	F4Z	0.8727
538	4HC	0.8727
539	NCA	0.8727
540	MO8	0.8725
541	LZM	0.8724
542	5H1	0.8724
543	TC7	0.8724
544	6M9	0.8724
545	GDE	0.8724
546	FW5	0.8723
547	G5V	0.8722
548	AQO	0.8721
549	HHA	0.8720
550	MAK	0.8720
551	5MI	0.8719
552	5JQ	0.8719
553	3IT	0.8717
554	AJ2	0.8717
555	PLQ	0.8716
556	HSE	0.8711
557	F60	0.8709
558	3WA	0.8709
559	BEN	0.8708
560	XIX	0.8704
561	6LW	0.8699
562	JBQ	0.8698
563	FPN	0.8694
564	6PC	0.8691
565	THR	0.8691
566	OAA	0.8689
567	9CL	0.8689
568	270	0.8687
569	NBZ	0.8686
570	SJ5	0.8686
571	M0W	0.8685
572	F12	0.8684
573	GAF	0.8682
574	DA1	0.8680
575	DTL	0.8679
576	2AL	0.8677
577	HQE	0.8674
578	SF9	0.8673
579	WOO	0.8673
580	M1Q	0.8670
581	DIU	0.8670
582	NIO	0.8668
583	DSN	0.8668
584	J1Z	0.8667
585	R2B	0.8667
586	25T	0.8667
587	LG4	0.8666
588	7VJ	0.8665
589	11S	0.8665
590	82I	0.8663
591	LRH	0.8661
592	RUU	0.8659
593	4M0	0.8657
594	PCR	0.8657
595	H4N	0.8656
596	QPR	0.8656
597	ABE	0.8653
598	ASN	0.8652
599	PBE	0.8652
600	NPY	0.8646
601	TZE	0.8646
602	PXY	0.8643
603	5CU	0.8642
604	25R	0.8639
605	BAM	0.8635
606	D07	0.8633
607	PRZ	0.8632
608	GOO	0.8631
609	M1H	0.8631
610	PZA	0.8630
611	BHA	0.8624
612	FK1	0.8624
613	QUZ	0.8624
614	FUB	0.8624
615	NOY	0.8620
616	4XV	0.8617
617	AX7	0.8616
618	GXL	0.8615
619	DOB	0.8612
620	4CH	0.8609
621	EA1	0.8607
622	4JN	0.8605
623	FDK	0.8605
624	HIU	0.8604
625	URP	0.8603
626	FGZ	0.8602
627	FA0	0.8597
628	32O	0.8597
629	EDG	0.8595
630	BML	0.8594
631	P92	0.8592
632	TEP	0.8591
633	PBR	0.8590
634	VNL	0.8588
635	2ZQ	0.8587
636	IFL	0.8587
637	DMJ	0.8587
638	UNU	0.8586
639	4HS	0.8585
640	INE	0.8584
641	2MN	0.8582
642	8H8	0.8578
643	UAN	0.8573
644	8WT	0.8567
645	NSP	0.8564
646	1AB	0.8561
647	JAE	0.8560
648	5OB	0.8559
649	5WY	0.8556
650	IOL	0.8554
651	2MI	0.8552
652	ASO	0.8550
653	HXX	0.8546
654	KG7	0.8545
655	QBK	0.8533
656	NTN	0.8532
657	MLA	0.8532
658	QSH	0.8523

Ligand no: 2; Ligand: MLI; Similar ligands found: 764

No:	Ligand	Similarity coefficient
1	P2D	1.0000
2	IFM	1.0000
3	JZ3	1.0000
4	ASP	1.0000
5	LMR	1.0000
6	C5J	1.0000
7	AAE	1.0000
8	3HR	1.0000
9	MLM	1.0000
10	DMG	1.0000
11	3HL	1.0000
12	IVA	1.0000
13	MLA	1.0000
14	HV2	0.9880
15	IPU	0.9844
16	DTL	0.9843
17	PRO	0.9822
18	CEJ	0.9811
19	CHT	0.9786
20	ALO	0.9774
21	KG7	0.9766
22	273	0.9763
23	24T	0.9763
24	NMG	0.9756
25	TFB	0.9748
26	MAK	0.9745
27	IQ0	0.9737
28	2PC	0.9736
29	3PY	0.9735
30	BUQ	0.9733
31	KIV	0.9731
32	BU4	0.9729
33	AKB	0.9727
34	PYC	0.9727
35	HYN	0.9719
36	VAL	0.9711
37	E60	0.9709
38	HDA	0.9706
39	MAE	0.9706
40	LEA	0.9698
41	BUA	0.9697
42	2HE	0.9694
43	THR	0.9694
44	DPR	0.9690
45	ABU	0.9686
46	4MV	0.9680
47	BAL	0.9679
48	BVC	0.9676
49	SAR	0.9675
50	SHF	0.9672
51	RP7	0.9672
52	SSN	0.9671
53	MZ0	0.9668
54	JBN	0.9666
55	CYH	0.9665
56	CXL	0.9665
57	25T	0.9665
58	FOA	0.9665
59	SIN	0.9663
60	FUM	0.9663
61	HAI	0.9651
62	AOA	0.9645
63	LAC	0.9642
64	SER	0.9641
65	OXD	0.9641
66	EGD	0.9638
67	1AC	0.9634
68	192	0.9630
69	3OH	0.9619
70	S0H	0.9613
71	IPH	0.9613
72	4JU	0.9611
73	IHG	0.9604
74	XIX	0.9602
75	DSN	0.9599
76	284	0.9596
77	TP5	0.9594
78	BMD	0.9589
79	2KT	0.9588
80	PRS	0.9586
81	CP	0.9585
82	T2C	0.9585
83	BUB	0.9581
84	FJO	0.9579
85	MPD	0.9578
86	DGY	0.9577
87	DXX	0.9576
88	ABA	0.9572
89	265	0.9570
90	HX2	0.9570
91	TZC	0.9561
92	MTG	0.9560
93	NVI	0.9560
94	URA	0.9558
95	HPY	0.9552
96	C21	0.9552
97	HVQ	0.9551
98	282	0.9551
99	L60	0.9550
100	PAE	0.9547
101	03W	0.9546
102	LER	0.9545
103	J1Z	0.9542
104	V1L	0.9542
105	RCO	0.9540
106	MSF	0.9540
107	ALA	0.9539
108	JAB	0.9538
109	A2Q	0.9536
110	POA	0.9536
111	XPO	0.9534
112	CRS	0.9533
113	PG3	0.9531
114	BVG	0.9522
115	1DH	0.9521
116	BAE	0.9518
117	3CH	0.9518
118	2IM	0.9517
119	DUC	0.9514
120	8X3	0.9514
121	SAT	0.9514
122	SMV	0.9513
123	1KA	0.9511
124	H95	0.9510
125	2OP	0.9509
126	GOL	0.9507
127	AMC	0.9506
128	DCL	0.9501
129	23W	0.9501
130	P7I	0.9500
131	HIU	0.9497
132	TB6	0.9495
133	PCT	0.9493
134	IDH	0.9490
135	ITU	0.9489
136	PRI	0.9488
137	7EX	0.9486
138	1MR	0.9485
139	OXM	0.9484
140	69O	0.9484
141	CYT	0.9480
142	HUI	0.9478
143	PPF	0.9477
144	SYN	0.9473
145	BXO	0.9472
146	JZ5	0.9472
147	93B	0.9472
148	1DU	0.9471
149	DTT	0.9470
150	HBS	0.9469
151	2EZ	0.9469
152	C2N	0.9468
153	TAU	0.9466
154	XAP	0.9462
155	26D	0.9462
156	LG3	0.9461
157	ALQ	0.9457
158	H3M	0.9457
159	BVF	0.9457
160	7VD	0.9454
161	LG5	0.9453
162	CYS	0.9448
163	MRY	0.9445
164	2MH	0.9443
165	HBR	0.9441
166	GXE	0.9440
167	OHG	0.9438
168	4HA	0.9438
169	9PO	0.9436
170	PYM	0.9435
171	3BB	0.9433
172	8GF	0.9432
173	NAK	0.9432
174	DAL	0.9432
175	ETX	0.9431
176	PYR	0.9429
177	SMB	0.9426
178	MBN	0.9425
179	ATQ	0.9420
180	ECE	0.9417
181	PLQ	0.9415
182	FW5	0.9414
183	DCY	0.9414
184	SLP	0.9410
185	GXV	0.9409
186	4AP	0.9408
187	HSE	0.9406
188	BTL	0.9404
189	HRZ	0.9403
190	6SP	0.9402
191	3AP	0.9401
192	BAQ	0.9401
193	A3B	0.9400
194	1CB	0.9400
195	HVK	0.9395
196	MZW	0.9394
197	DE2	0.9394
198	HGY	0.9393
199	AC5	0.9391
200	HGQ	0.9390
201	FCN	0.9389
202	HQE	0.9385
203	GBL	0.9385
204	2RA	0.9384
205	WOT	0.9383
206	THE	0.9382
207	FPI	0.9382
208	2AP	0.9381
209	39J	0.9380
210	HBX	0.9379
211	CIG	0.9378
212	FBJ	0.9377
213	ABN	0.9377
214	M3T	0.9375
215	RSF	0.9374
216	B3R	0.9373
217	DBB	0.9371
218	ILE	0.9368
219	40O	0.9368
220	4H2	0.9367
221	3ZQ	0.9362
222	FPN	0.9360
223	9X7	0.9358
224	HSM	0.9351
225	APY	0.9348
226	9YL	0.9345
227	HEW	0.9343
228	PY7	0.9343
229	TAY	0.9342
230	HYP	0.9337
231	NIS	0.9337
232	A8C	0.9335
233	M6W	0.9333
234	MB3	0.9332
235	LGA	0.9331
236	DA1	0.9330
237	PCR	0.9329
238	PE9	0.9329
239	HCS	0.9329
240	VX	0.9328
241	UY7	0.9327
242	PXY	0.9323
243	PYF	0.9321
244	8CL	0.9321
245	NBE	0.9314
246	TMT	0.9312
247	1DQ	0.9310
248	DAB	0.9307
249	5AC	0.9300
250	LG4	0.9300
251	OXQ	0.9299
252	ODV	0.9297
253	1SP	0.9296
254	FLA	0.9296
255	285	0.9295
256	ETF	0.9295
257	GAG	0.9295
258	HZP	0.9294
259	PCA	0.9292
260	PUT	0.9291
261	GBD	0.9289
262	UYA	0.9286
263	3MT	0.9285
264	NVA	0.9284
265	IDM	0.9280
266	PYJ	0.9279
267	QFH	0.9278
268	COM	0.9277
269	DEN	0.9277
270	25R	0.9276
271	ETM	0.9276
272	BUO	0.9275
273	ICC	0.9273
274	BP9	0.9270
275	XYS	0.9269
276	CAQ	0.9269
277	OPE	0.9268
278	VAH	0.9264
279	YCP	0.9264
280	YHO	0.9263
281	AMT	0.9263
282	HHQ	0.9261
283	IZC	0.9260
284	SGL	0.9258
285	4CH	0.9257
286	MCT	0.9256
287	ISU	0.9252
288	WTZ	0.9251
289	BML	0.9250
290	TMZ	0.9250
291	9CL	0.9249
292	BZF	0.9249
293	GLY ALA	0.9247
294	OXE	0.9246
295	0R1	0.9245
296	IND	0.9243
297	URF	0.9243
298	TH0	0.9243
299	3GR	0.9242
300	LZ1	0.9240
301	PGA	0.9240
302	60P	0.9238
303	4JP	0.9238
304	AML	0.9237
305	BEN	0.9236
306	GVH	0.9236
307	BZI	0.9235
308	JZ7	0.9234
309	MPI	0.9234
310	0CT	0.9233
311	BEZ	0.9232
312	L89	0.9232
313	R2B	0.9232
314	HY3	0.9228
315	MTD	0.9226
316	MEU	0.9225
317	6PC	0.9225
318	B24	0.9224
319	2HA	0.9223
320	TTO	0.9222
321	FPY	0.9218
322	1AB	0.9216
323	JZ9	0.9216
324	NIO	0.9215
325	MZY	0.9214
326	EDG	0.9214
327	HHN	0.9211
328	LDU	0.9211
329	23B	0.9211
330	HTX	0.9211
331	XYP	0.9210
332	TZL	0.9209
333	ZBT	0.9209
334	BAM	0.9208
335	NBN	0.9205
336	XBT	0.9204
337	DSS	0.9202
338	4HS	0.9202
339	CMS	0.9201
340	2CH	0.9200
341	NCA	0.9199
342	280	0.9198
343	3TR	0.9198
344	54D	0.9198
345	NTN	0.9196
346	NBZ	0.9196
347	8LG	0.9195
348	1AN	0.9193
349	TDR	0.9191
350	SS2	0.9190
351	5Y9	0.9190
352	4JN	0.9189
353	QSC	0.9189
354	NXA	0.9189
355	3SS	0.9188
356	LLQ	0.9187
357	BEW	0.9187
358	CRN	0.9186
359	3ZS	0.9183
360	A20	0.9183
361	MLT	0.9182
362	9SB	0.9182
363	5MP	0.9182
364	MR3	0.9181
365	2MZ	0.9180
366	TFS	0.9177
367	1PT	0.9171
368	OK7	0.9170
369	MWM	0.9167
370	4HO	0.9165
371	4MZ	0.9164
372	TEO	0.9164
373	TF4	0.9162
374	WBU	0.9160
375	1MZ	0.9159
376	PZA	0.9158
377	FP2	0.9156
378	HOW	0.9155
379	GG6	0.9152
380	ITN	0.9151
381	KSW	0.9148
382	HTS	0.9147
383	NCM	0.9147
384	PIS	0.9147
385	2AI	0.9145
386	2AF	0.9145
387	4XX	0.9145
388	XRG	0.9143
389	275	0.9143
390	13D	0.9143
391	EFS	0.9141
392	JZ0	0.9141
393	XBZ	0.9141
394	FMS	0.9138
395	92Z	0.9135
396	MRZ	0.9135
397	DTI	0.9134
398	93Q	0.9132
399	IOM	0.9130
400	MMU	0.9130
401	5UC	0.9127
402	UNU	0.9127
403	40E	0.9127
404	2YU	0.9125
405	76X	0.9123
406	4ZE	0.9123
407	DTU	0.9122
408	4DX	0.9118
409	CSS	0.9117
410	2AC	0.9117
411	AHR	0.9115
412	VGL	0.9113
413	PIH	0.9112
414	PPV	0.9109
415	JZ6	0.9108
416	HLT	0.9107
417	PAH	0.9106
418	2MP	0.9103
419	C2A	0.9103
420	SPA	0.9103
421	14J	0.9099
422	NK	0.9099
423	ICP	0.9098
424	PYD	0.9098
425	CIZ	0.9093
426	SS1	0.9091
427	9A4	0.9090
428	34A	0.9089
429	IOL	0.9088
430	XYD	0.9087
431	MMZ	0.9087
432	HY1	0.9087
433	FQI	0.9086
434	7WG	0.9083
435	YAN	0.9083
436	2DR	0.9081
437	6X8	0.9079
438	5KX	0.9078
439	UGC	0.9076
440	MMQ	0.9076
441	TM7	0.9076
442	1MC	0.9075
443	CRD	0.9075
444	51F	0.9075
445	ASN	0.9075
446	HGW	0.9074
447	AC0	0.9073
448	4CL	0.9073
449	M58	0.9070
450	R8A	0.9070
451	9TY	0.9070
452	COI	0.9069
453	278	0.9069
454	RB5	0.9066
455	XYL	0.9066
456	HSL	0.9065
457	IUR	0.9065
458	IT2	0.9062
459	JYD	0.9061
460	HE2	0.9060
461	D2P	0.9058
462	43M	0.9057
463	4AX	0.9056
464	HT4	0.9054
465	4JJ	0.9054
466	DAS	0.9052
467	938	0.9050
468	PBC	0.9049
469	9A7	0.9049
470	POP	0.9047
471	47J	0.9045
472	JZ1	0.9040
473	3MC	0.9039
474	3CL	0.9037
475	A1U	0.9037
476	HBA	0.9037
477	TAR	0.9036
478	286	0.9036
479	JZ2	0.9033
480	BNS	0.9032
481	BYZ	0.9028
482	TZE	0.9027
483	5MH	0.9022
484	PAF	0.9018
485	R1X	0.9016
486	PYG	0.9015
487	27Y	0.9014
488	LXC	0.9014
489	XUL	0.9011
490	BR9	0.9011
491	XLS	0.9007
492	2RH	0.9006
493	RBL	0.9004
494	IMR	0.9002
495	PXO	0.9000
496	RSO	0.8999
497	4JL	0.8998
498	L3Q	0.8996
499	MWJ	0.8993
500	5JC	0.8991
501	4JO	0.8990
502	2K4	0.8990
503	ES3	0.8986
504	BZX	0.8982
505	DMV	0.8981
506	1XX	0.8978
507	FBA	0.8978
508	GLV	0.8978
509	GMN	0.8977
510	FFP	0.8975
511	3FA	0.8974
512	FLM	0.8973
513	5H1	0.8971
514	AKR	0.8968
515	ICN	0.8967
516	5MB	0.8966
517	2C9	0.8964
518	KPL	0.8962
519	Z6J	0.8961
520	5MI	0.8961
521	LEU	0.8961
522	6AI	0.8960
523	DMI	0.8957
524	14O	0.8956
525	4VP	0.8956
526	MBD	0.8955
527	2MY	0.8955
528	RIB	0.8955
529	2PN	0.8954
530	GLY	0.8952
531	MZG	0.8950
532	F60	0.8947
533	RUU	0.8946
534	4SD	0.8945
535	0R0	0.8945
536	F3V	0.8944
537	ES9	0.8944
538	3MH	0.8944
539	GOA	0.8942
540	QOS	0.8942
541	EHM	0.8942
542	HYA	0.8941
543	0TR	0.8941
544	7CZ	0.8941
545	AGK	0.8936
546	ISZ	0.8935
547	PYZ	0.8930
548	6M4	0.8929
549	DYA	0.8928
550	VSO	0.8927
551	FK1	0.8926
552	HIO	0.8925
553	FAH	0.8923
554	11S	0.8920
555	GIF	0.8919
556	NHY	0.8918
557	HAE	0.8915
558	PPI	0.8911
559	TLA	0.8909
560	ARB	0.8908
561	H4N	0.8907
562	1DV	0.8905
563	HLR	0.8903
564	O7U	0.8902
565	3CE	0.8902
566	6MH	0.8899
567	FUC	0.8898
568	M2H	0.8898
569	PKU	0.8898
570	FAN	0.8897
571	NIE	0.8895
572	HSW	0.8891
573	AGU	0.8890
574	9EW	0.8889
575	TLD	0.8888
576	HVB	0.8886
577	NMU	0.8885
578	TAN	0.8882
579	OXZ	0.8882
580	98J	0.8880
581	2CM	0.8877
582	PHB	0.8876
583	2CO	0.8874
584	RIP	0.8874
585	GLU	0.8869
586	Y8I	0.8869
587	MGX	0.8868
588	URP	0.8868
589	34V	0.8867
590	CNH	0.8867
591	FUL	0.8866
592	F05	0.8864
593	8NY	0.8860
594	0RW	0.8860
595	JAE	0.8855
596	0MK	0.8854
597	DFU	0.8853
598	PEL	0.8851
599	SVN	0.8848
600	CXF	0.8844
601	J3K	0.8841
602	XM0	0.8841
603	AZF	0.8839
604	1DW	0.8839
605	AX7	0.8838
606	270	0.8838
607	SRT	0.8838
608	64K	0.8836
609	TB0	0.8835
610	C2B	0.8834
611	4CS	0.8830
612	6M9	0.8828
613	FEH	0.8826
614	ORN	0.8824
615	3Q7	0.8824
616	GLY CYS	0.8823
617	CFI	0.8817
618	PBE	0.8817
619	2MI	0.8816
620	PEA	0.8815
621	P92	0.8815
622	NPO	0.8812
623	KOJ	0.8812
624	F50	0.8812
625	DUB	0.8809
626	SNE	0.8808
627	ADE	0.8808
628	MET	0.8808
629	4JM	0.8804
630	FCA	0.8803
631	B20	0.8796
632	271	0.8794
633	ARA	0.8790
634	PM6	0.8789
635	13P	0.8788
636	MXN	0.8787
637	PZI	0.8786
638	QUZ	0.8784
639	DFB	0.8782
640	GLY GLY	0.8781
641	2A1	0.8778
642	2XX	0.8777
643	2CK	0.8776
644	9X6	0.8775
645	FUF	0.8775
646	BHO	0.8775
647	R8S	0.8774
648	2A3	0.8774
649	TSZ	0.8772
650	SAL	0.8771
651	TMH	0.8770
652	NIZ	0.8767
653	ABV	0.8766
654	F9P	0.8766
655	61G	0.8763
656	BNZ	0.8762
657	TNE	0.8761
658	R3W	0.8758
659	4XR	0.8756
660	FSG	0.8755
661	2AS	0.8755
662	CEE	0.8753
663	7N0	0.8752
664	0PY	0.8751
665	10L	0.8751
666	BP1	0.8751
667	AHB	0.8750
668	GUA	0.8748
669	717	0.8747
670	PAV	0.8747
671	ABE	0.8747
672	ES4	0.8743
673	3V4	0.8742
674	HPA	0.8738
675	PHZ	0.8738
676	G3P	0.8737
677	ATO	0.8736
678	3SL	0.8736
679	SPV	0.8735
680	2CQ	0.8734
681	3U4	0.8734
682	ICF	0.8733
683	GLL	0.8732
684	7WA	0.8732
685	URQ	0.8730
686	JBE	0.8729
687	PTO	0.8728
688	NPY	0.8725
689	MUC	0.8723
690	BXA	0.8718
691	23A	0.8717
692	P1R	0.8717
693	3XX	0.8714
694	PMB	0.8714
695	FBM	0.8710
696	YTB	0.8706
697	MDN	0.8705
698	1WD	0.8705
699	24B	0.8704
700	Z82	0.8702
701	NMJ	0.8702
702	4SV	0.8698
703	6MP	0.8697
704	GAB	0.8697
705	MNN	0.8694
706	150	0.8694
707	HMH	0.8693
708	3OC	0.8692
709	1DJ	0.8688
710	ZZT	0.8685
711	13X	0.8684
712	BE2	0.8682
713	FUB	0.8682
714	JKE	0.8681
715	2ZX	0.8680
716	3HB	0.8677
717	94N	0.8673
718	1BP	0.8672
719	5ZE	0.8671
720	TM4	0.8670
721	3Z7	0.8670
722	7WV	0.8669
723	3SK	0.8669
724	AX2	0.8668
725	45C	0.8668
726	FYU	0.8667
727	7HP	0.8667
728	ES6	0.8666
729	4ZC	0.8661
730	PEP	0.8658
731	H8N	0.8655
732	3AY	0.8655
733	3NT	0.8653
734	SEJ	0.8652
735	6UA	0.8646
736	5HN	0.8646
737	8GC	0.8644
738	WDL	0.8642
739	9HX	0.8639
740	3AB	0.8636
741	DQY	0.8634
742	6HQ	0.8632
743	PAB	0.8630
744	TH7	0.8629
745	BRP	0.8620
746	HIS	0.8619
747	FB2	0.8614
748	VNJ	0.8607
749	8H8	0.8605
750	KYD	0.8604
751	1P3	0.8602
752	ACH	0.8597
753	PBZ	0.8593
754	OVV	0.8589
755	DCD	0.8588
756	53C	0.8582
757	HBD	0.8581
758	1Y6	0.8576
759	ERH	0.8559
760	CP2	0.8557
761	P72	0.8552
762	WCE	0.8550
763	4MA	0.8550
764	TPA	0.8529

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

Pocket No.: 1; Query (leader) PDB : 6BUM; Ligand: MLI; 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: 6bum.bio1) has 20 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 6BUM; Ligand: MLI; 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: 6bum.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 6BUM; Ligand: MLI; 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: 6bum.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 6BUM; Ligand: MLI; 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: 6bum.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity

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