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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6CWJ	2.25 Å	EC: 3.5.2.15	CRYSTAL STRUCTURES OF CYANURIC ACID HYDROLASE FROM MOORELLA THERMOACETICA COMPLEXED WITH 1,3-ACETONE DICARBOXYLIC ACID	MOORELLA THERMOACETICA (STRAIN ATCC 399320)	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	D:403; C:402; A: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...
6JN	C:401; B:401; D:402;	Valid; Valid; Valid;	none; none; none;	submit data	146.098	C5 H6 O5	C(C(=...
ACT	A:404; D:401; D:404; A:403;	Invalid; Invalid; Invalid; Invalid;	none; none; none; none;	submit data	59.044	C2 H3 O2	CC(=O...
PDO	B:403;	Invalid;	none;	submit data	76.094	C3 H8 O2	C(CO)...
MLI	A:401;	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: 6JN; Similar ligands found: 6

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	6JN	1	1
2	MLA	0.6	0.789474
3	98J	0.478261	0.695652
4	AAE	0.473684	0.65
5	M8O	0.464286	0.894737
6	ITN	0.409091	0.608696

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: 6JN; Similar ligands found: 553

No:	Ligand	Similarity coefficient
1	8EW	0.9844
2	3HG	0.9663
3	AKG	0.9653
4	GUA	0.9601
5	KMH	0.9581
6	URP	0.9577
7	152	0.9533
8	GLU	0.9497
9	TIU	0.9481
10	MAH	0.9458
11	ASN	0.9453
12	LMR	0.9449
13	MLT	0.9447
14	R9M	0.9431
15	ASP	0.9429
16	RAT	0.9414
17	DGL	0.9402
18	OAA	0.9400
19	TAR	0.9390
20	GLN	0.9387
21	N7P	0.9373
22	5XB	0.9359
23	0VT	0.9351
24	LEU	0.9351
25	GVM	0.9350
26	MEV	0.9347
27	IXW	0.9341
28	OOG	0.9325
29	DAS	0.9318
30	CMS	0.9315
31	OEM	0.9296
32	URO	0.9295
33	MUC	0.9290
34	2TQ	0.9288
35	NLE	0.9284
36	OKG	0.9284
37	AG2	0.9277
38	LNO	0.9274
39	TLA	0.9274
40	HIS	0.9274
41	TIH	0.9271
42	ZGL	0.9258
43	CRN	0.9254
44	3S5	0.9252
45	PEP	0.9247
46	3SL	0.9241
47	HIO	0.9239
48	COI	0.9236
49	AUD	0.9236
50	MAE	0.9234
51	7BC	0.9229
52	7UC	0.9229
53	O7U	0.9227
54	9ON	0.9226
55	HBU	0.9224
56	PLU	0.9221
57	GGL	0.9218
58	2FT	0.9218
59	DGN	0.9218
60	2HG	0.9215
61	SD4	0.9210
62	GLL	0.9209
63	ROR	0.9202
64	HSE	0.9202
65	IOM	0.9198
66	FPK	0.9197
67	TEO	0.9192
68	2IT	0.9191
69	AOS	0.9190
70	SEP	0.9188
71	3PG	0.9187
72	SC2	0.9186
73	RNS	0.9181
74	QDK	0.9177
75	41K	0.9175
76	S2G	0.9174
77	UGC	0.9174
78	9X6	0.9172
79	JYD	0.9169
80	9YT	0.9167
81	0V5	0.9160
82	G3P	0.9159
83	LFC	0.9158
84	RNT	0.9154
85	PG3	0.9152
86	FK8	0.9148
87	SMN	0.9146
88	HL5	0.9145
89	HZP	0.9145
90	N8P	0.9144
91	URQ	0.9143
92	9RW	0.9141
93	OHP	0.9140
94	ONL	0.9139
95	6NA	0.9138
96	DHI	0.9138
97	PCA	0.9137
98	FOC	0.9136
99	OSE	0.9135
100	SIN	0.9134
101	5HY	0.9133
102	2AS	0.9130
103	MLE	0.9126
104	13P	0.9123
105	2AL	0.9122
106	ACH	0.9122
107	2DR	0.9115
108	BE2	0.9113
109	DII	0.9112
110	49F	0.9110
111	AL0	0.9106
112	CXF	0.9104
113	MHO	0.9098
114	ACA	0.9095
115	G2H	0.9095
116	HY3	0.9094
117	3BU	0.9093
118	NMJ	0.9093
119	XUL	0.9090
120	AHB	0.9090
121	C5A	0.9089
122	3OC	0.9084
123	40E	0.9083
124	3AB	0.9081
125	ORN	0.9080
126	PGH	0.9077
127	DZA	0.9076
128	5XA	0.9073
129	PPY	0.9073
130	PSJ	0.9072
131	CIZ	0.9071
132	AHN	0.9070
133	SPV	0.9070
134	9J3	0.9068
135	LYS	0.9066
136	HDA	0.9059
137	PPR	0.9054
138	KTA	0.9053
139	1CO	0.9052
140	ONH	0.9050
141	G4D	0.9048
142	5FX	0.9047
143	DIG	0.9046
144	THE	0.9046
145	6M4	0.9045
146	GOJ	0.9043
147	PHE	0.9041
148	3HB	0.9041
149	VNJ	0.9041
150	4CS	0.9040
151	SAL	0.9036
152	FOM	0.9035
153	FSG	0.9035
154	9DG	0.9035
155	NXA	0.9034
156	284	0.9034
157	2CO	0.9031
158	OXZ	0.9031
159	MET	0.9030
160	ICF	0.9030
161	GBN	0.9029
162	NVA	0.9025
163	DHS	0.9024
164	9SE	0.9022
165	3SK	0.9022
166	XYL	0.9022
167	XLS	0.9021
168	M44	0.9020
169	GAB	0.9019
170	3U4	0.9016
171	SHO	0.9016
172	FA0	0.9015
173	7N0	0.9015
174	GZ3	0.9015
175	9TY	0.9014
176	HIC	0.9012
177	HTX	0.9011
178	3NT	0.9010
179	FBV	0.9008
180	SRT	0.9008
181	GTQ	0.9007
182	8GC	0.9004
183	VAH	0.9001
184	REL	0.9001
185	GLO	0.9000
186	DLY	0.8998
187	IP0	0.8998
188	XAN	0.8998
189	RSF	0.8997
190	FB1	0.8991
191	SDD	0.8991
192	SME	0.8991
193	5RG	0.8991
194	PEQ	0.8990
195	7C3	0.8989
196	4M0	0.8989
197	TZL	0.8986
198	RBL	0.8985
199	EHM	0.8985
200	53C	0.8982
201	1SA	0.8979
202	ICT	0.8978
203	CDV	0.8972
204	54G	0.8971
205	BHA	0.8971
206	8EZ	0.8970
207	OMD	0.8969
208	2PG	0.8969
209	ES6	0.8968
210	4SD	0.8968
211	PSV	0.8967
212	RB0	0.8965
213	SOL	0.8961
214	1P3	0.8961
215	ILE	0.8961
216	J0Z	0.8960
217	6CS	0.8960
218	HHI	0.8959
219	650	0.8959
220	0OC	0.8959
221	IPB	0.8959
222	MED	0.8958
223	9TZ	0.8957
224	SKJ	0.8957
225	VAL	0.8955
226	DAV	0.8955
227	G3H	0.8955
228	DPF	0.8955
229	IFM	0.8954
230	5M0	0.8951
231	RMN	0.8950
232	DYT	0.8947
233	GUN	0.8947
234	1AL	0.8946
235	PBE	0.8946
236	FUD	0.8945
237	129	0.8945
238	2RH	0.8942
239	SHF	0.8941
240	G8M	0.8939
241	TPO	0.8939
242	8GL	0.8937
243	4SV	0.8934
244	TAG	0.8933
245	RB5	0.8931
246	F9P	0.8931
247	K6V	0.8930
248	IPM	0.8930
249	DOB	0.8928
250	SKG	0.8924
251	5NU	0.8922
252	THR	0.8920
253	URA	0.8920
254	MD0	0.8919
255	7A8	0.8919
256	I3A	0.8918
257	EYK	0.8917
258	FYU	0.8916
259	KMT	0.8913
260	DIR	0.8912
261	PAF	0.8912
262	UYA	0.8908
263	MTL	0.8908
264	UN1	0.8903
265	SJ5	0.8901
266	DS0	0.8895
267	K6H	0.8894
268	XSP	0.8893
269	SIF	0.8892
270	HYA	0.8891
271	1GP	0.8890
272	CIT	0.8889
273	SKM	0.8888
274	GAG	0.8888
275	RIB	0.8885
276	DOR	0.8884
277	CXP	0.8884
278	HPY	0.8883
279	1WD	0.8882
280	51R	0.8882
281	B3M	0.8882
282	5CU	0.8882
283	CCB	0.8881
284	PEZ	0.8880
285	LRH	0.8879
286	5MK	0.8878
287	JKE	0.8874
288	FLC	0.8873
289	AZF	0.8872
290	FUC	0.8872
291	HCS	0.8871
292	DPJ	0.8868
293	HYP	0.8867
294	OW4	0.8866
295	LVD	0.8862
296	PG0	0.8862
297	APG	0.8861
298	GLY PRO	0.8859
299	PRY	0.8858
300	HDL	0.8858
301	BSX	0.8857
302	XBT	0.8856
303	1LN	0.8856
304	HGA	0.8855
305	3LR	0.8854
306	7HQ	0.8854
307	MAN	0.8852
308	JZ4	0.8851
309	MSE	0.8850
310	E4P	0.8849
311	KBB	0.8847
312	NCD	0.8846
313	261	0.8844
314	LSA	0.8843
315	5AC	0.8843
316	Z6J	0.8842
317	FP1	0.8841
318	C2A	0.8841
319	GLA	0.8841
320	6LW	0.8840
321	42C	0.8839
322	XYP	0.8839
323	HMU	0.8838
324	SHV	0.8837
325	60P	0.8837
326	AHR	0.8836
327	R2P	0.8833
328	23W	0.8832
329	3HA	0.8832
330	GLC	0.8832
331	MEQ	0.8828
332	FW5	0.8824
333	KOJ	0.8823
334	51F	0.8823
335	Q88	0.8822
336	XCZ	0.8822
337	DCL	0.8822
338	SX1	0.8819
339	P22	0.8816
340	DBX	0.8815
341	ENV	0.8813
342	MRY	0.8813
343	Q6T	0.8812
344	ZBT	0.8811
345	DAB	0.8811
346	S76	0.8811
347	RAM	0.8806
348	AGK	0.8805
349	GG6	0.8805
350	II6	0.8804
351	GLF	0.8804
352	9X7	0.8804
353	JZ3	0.8803
354	24B	0.8803
355	DMJ	0.8802
356	GYE	0.8801
357	NFQ	0.8799
358	HG3	0.8799
359	IFL	0.8797
360	DTL	0.8796
361	LTL	0.8796
362	LER	0.8795
363	AKH	0.8794
364	GCO	0.8792
365	CRS	0.8792
366	1X4	0.8792
367	3PO	0.8791
368	TZE	0.8784
369	ADE	0.8783
370	6UA	0.8783
371	95Z	0.8781
372	CNL	0.8780
373	NK	0.8779
374	GBD	0.8777
375	DFB	0.8775
376	HGQ	0.8774
377	HPA	0.8773
378	H76	0.8773
379	3F0	0.8772
380	26D	0.8772
381	M1E	0.8770
382	GIF	0.8770
383	4HM	0.8769
384	PRZ	0.8769
385	ISD	0.8769
386	YIV	0.8768
387	CUW	0.8768
388	DUC	0.8767
389	HMH	0.8765
390	SHI	0.8765
391	YCP	0.8764
392	KPL	0.8763
393	M5E	0.8762
394	BGC	0.8762
395	F05	0.8762
396	5HN	0.8762
397	BR8	0.8761
398	LLH	0.8760
399	I2M	0.8760
400	ASC	0.8759
401	LPK	0.8759
402	DBH	0.8758
403	3M0	0.8758
404	3V4	0.8757
405	LLQ	0.8753
406	DMV	0.8752
407	CYX	0.8750
408	BHH	0.8748
409	32O	0.8748
410	KDG	0.8748
411	2LP	0.8747
412	ORO	0.8747
413	FLA	0.8747
414	G5V	0.8746
415	FPY	0.8743
416	11C	0.8743
417	JZ1	0.8741
418	R8A	0.8740
419	TMH	0.8737
420	AC5	0.8737
421	ARB	0.8734
422	XYH	0.8733
423	RP7	0.8732
424	FUL	0.8732
425	DFU	0.8731
426	M74	0.8730
427	ARA	0.8729
428	WOO	0.8727
429	Q07	0.8726
430	3FH	0.8726
431	IDH	0.8725
432	RUU	0.8724
433	SHA	0.8724
434	B3U	0.8724
435	TRA	0.8724
436	7WV	0.8722
437	AKB	0.8721
438	PA1	0.8719
439	16D	0.8718
440	ICO	0.8717
441	SF6	0.8716
442	GLY ALA	0.8715
443	FBW	0.8715
444	OXQ	0.8714
445	P4B	0.8713
446	MWP	0.8713
447	3AL	0.8713
448	PZA	0.8711
449	R8S	0.8711
450	SF9	0.8711
451	7HP	0.8710
452	4RW	0.8710
453	4XR	0.8709
454	IPZ	0.8708
455	13X	0.8706
456	L3Q	0.8700
457	KYD	0.8699
458	NOJ	0.8699
459	ENL	0.8697
460	R1X	0.8697
461	KDF	0.8696
462	MFU	0.8695
463	HQ9	0.8695
464	286	0.8694
465	SSN	0.8692
466	3MF	0.8691
467	XYS	0.8687
468	T9G	0.8686
469	2A7	0.8683
470	V55	0.8680
471	PPK	0.8679
472	AH8	0.8676
473	FRU	0.8676
474	TRC	0.8674
475	FUF	0.8671
476	0CG	0.8670
477	0LH	0.8670
478	MNM	0.8662
479	NTM	0.8660
480	DIE	0.8660
481	ZWZ	0.8655
482	6F0	0.8654
483	RCO	0.8653
484	AZA	0.8648
485	9DA	0.8648
486	FUB	0.8648
487	DHK	0.8646
488	R2B	0.8646
489	TSS	0.8645
490	IF7	0.8643
491	QFH	0.8641
492	HHA	0.8641
493	A2F	0.8640
494	9EW	0.8640
495	9HX	0.8635
496	BMA	0.8635
497	141	0.8634
498	BDF	0.8632
499	GLR	0.8629
500	HXX	0.8628
501	URF	0.8627
502	LCN	0.8625
503	EUG	0.8625
504	PHT	0.8624
505	AZG	0.8623
506	IGA	0.8623
507	F81	0.8622
508	AX2	0.8621
509	ICC	0.8620
510	5ZE	0.8619
511	DGJ	0.8616
512	GAL	0.8614
513	5AN	0.8613
514	CTS	0.8606
515	GLY CYS	0.8605
516	RIP	0.8602
517	JBE	0.8600
518	6AP	0.8599
519	3CH	0.8598
520	DZX	0.8598
521	LG3	0.8598
522	ERH	0.8591
523	DXG	0.8589
524	CS2	0.8588
525	192	0.8585
526	G2F	0.8583
527	ASO	0.8582
528	BVF	0.8581
529	WBU	0.8580
530	LG5	0.8578
531	ALO	0.8577
532	D1X	0.8577
533	GRE	0.8574
534	ALL	0.8572
535	4PW	0.8571
536	CFP	0.8569
537	GIO	0.8565
538	WTZ	0.8563
539	CYT	0.8561
540	64K	0.8560
541	3AY	0.8557
542	DX4	0.8555
543	MFB	0.8553
544	10L	0.8548
545	6M9	0.8548
546	GCB	0.8546
547	SVN	0.8546
548	280	0.8540
549	JFJ	0.8537
550	290	0.8529
551	6AI	0.8523
552	YH7	0.8519
553	2K4	0.8510

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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