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Showing PDB: 4CW6

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Receptor | Ligand | View in 3D

Family: 90% | 70% | 50% | site

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      Structure Biounit | Ligand Information

PDB           : .ZIP | .CSV

Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4CW6	1.28 Å	EC: 1.7.3.3	CRYSTAL STRUCTURE OF COFACTOR-FREE URATE OXIDASE IN COMPLEX 5-PEROXO DERIVATIVE OF 9-METYL URIC ACID (X-RAY DOSE, 92 KG	ASPERGILLUS FLAVUS	OXIDOREDUCTASE COFACTOR-FREE OXIDASE
Ref.:	DIRECT EVIDENCE FOR A PEROXIDE INTERMEDIATE AND A R ENZYME-SUBSTRATE-DIOXYGEN CONFIGURATION IN A COFACT OXIDASE. ANGEW. CHEM. INT. ED. ENGL. V. 53 13710 2014

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
MUA	A:1305;	Valid;	none;	submit data		182.137	C6 H6 N4 O3	CN1C2...
XDS	A:1302;	Valid;	none;	submit data		214.136	C6 H6 N4 O5	CN1C2...
OXY	A:1304;	Invalid;	none;	submit data		31.999	O2	O=O
MPD	A:1303;	Invalid;	none;	submit data		118.174	C6 H14 O2	C[C@@...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3L8W	1 Å	EC: 1.7.3.3	URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH XANTHIN	ASPERGILLUS FLAVUS	OXIDOREDUCTASE URIC ACID DEGRADATION XANTHINE INHIBITION ASPERGILLUS FLAVUS PEROXISOME PURINE METABOLISM
Ref.:	NEAR-ATOMIC RESOLUTION STRUCTURES OF URATE OXIDASE WITH ITS SUBSTRATE AND ANALOGUES: THE PROTONATION S THE LIGAND. ACTA CRYSTALLOGR.,SECT.D V. 66 714 2010

Members (51)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	2IBA	-	AZA	C4 H3 N5 O2	c12c([nH]n....
2	3PKU	-	AZA	C4 H3 N5 O2	c12c([nH]n....
3	3PK4	-	AZA	C4 H3 N5 O2	c12c([nH]n....
4	3PK6	-	AZA	C4 H3 N5 O2	c12c([nH]n....
5	3PK8	-	AZA	C4 H3 N5 O2	c12c([nH]n....
6	2FXL	-	2AL	C4 H4 N4 O3	C1(=O)C(=N....
7	3PKF	-	AZA	C4 H3 N5 O2	c12c([nH]n....
8	3PLI	-	AZA	C4 H3 N5 O2	c12c([nH]n....
9	2ICQ	-	AZA	C4 H3 N5 O2	c12c([nH]n....
10	2IC0	-	AZA	C4 H3 N5 O2	c12c([nH]n....
11	4CW2	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
12	4D13	-	IUP	C5 H4 N4 O5	C12=NC(=O)....
13	3L9G	-	URC	C5 H4 N4 O3	C12=C(NC(=....
14	1WRR	-	UNC	C4 H4 N4 O4	C1(=C(NC(=....
15	2FUB	-	AZA	C4 H3 N5 O2	c12c([nH]n....
16	4D19	-	URC	C5 H4 N4 O3	C12=C(NC(=....
17	3PLE	-	AZA	C4 H3 N5 O2	c12c([nH]n....
18	2ZKA	-	OXY	O2	O=O
19	3L8W	-	XAN	C5 H4 N4 O2	c1[nH]c2c(....
20	1R4S	-	MUA	C6 H6 N4 O3	CN1C2=C(C(....
21	3LBG	-	8TX	C5 H4 N4 O2 S	C12=C(NC(=....
22	3PKL	-	AZA	C4 H3 N5 O2	c12c([nH]n....
23	3PLJ	-	AZA	C4 H3 N5 O2	c12c([nH]n....
24	3CKS	-	OXY	O2	O=O
25	3PKK	-	AZA	C4 H3 N5 O2	c12c([nH]n....
26	4PR8	-	URC	C5 H4 N4 O3	C12=C(NC(=....
27	3PLM	-	AZA	C4 H3 N5 O2	c12c([nH]n....
28	2ZKB	-	OXY	O2	O=O
29	3BK8	-	AZA	C4 H3 N5 O2	c12c([nH]n....
30	3PKT	-	AZA	C4 H3 N5 O2	c12c([nH]n....
31	3PLH	-	AZA	C4 H3 N5 O2	c12c([nH]n....
32	3OBP	-	URC	C5 H4 N4 O3	C12=C(NC(=....
33	3PKH	-	AZA	C4 H3 N5 O2	c12c([nH]n....
34	4N9V	-	AZA	C4 H3 N5 O2	c12c([nH]n....
35	3PK5	-	AZA	C4 H3 N5 O2	c12c([nH]n....
36	1XT4	-	GUN	C5 H5 N5 O	c1[nH]c2c(....
37	4D12	-	URC	C5 H4 N4 O3	C12=C(NC(=....
38	1R51	-	AZA	C4 H3 N5 O2	c12c([nH]n....
39	4CW6	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
40	1R4U	-	OXC	C4 H5 N3 O4	C1(NC(=O)N....
41	3BJP	-	URC	C5 H4 N4 O3	C12=C(NC(=....
42	3PLG	-	AZA	C4 H3 N5 O2	c12c([nH]n....
43	3PKS	-	AZA	C4 H3 N5 O2	c12c([nH]n....
44	3CKU	-	AZA	C4 H3 N5 O2	c12c([nH]n....
45	3PKG	-	AZA	C4 H3 N5 O2	c12c([nH]n....
46	4CW0	-	MUA	C6 H6 N4 O3	CN1C2=C(C(....
47	3LD4	-	8NX	C5 H3 N5 O4	c12c(nc([n....
48	3PK3	-	AZA	C4 H3 N5 O2	c12c([nH]n....
49	4CW3	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
50	4D17	-	URC	C5 H4 N4 O3	C12=C(NC(=....
51	3PJK	-	AZA	C4 H3 N5 O2	c12c([nH]n....

70% Homology Family (51)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	2IBA	-	AZA	C4 H3 N5 O2	c12c([nH]n....
2	3PKU	-	AZA	C4 H3 N5 O2	c12c([nH]n....
3	3PK4	-	AZA	C4 H3 N5 O2	c12c([nH]n....
4	3PK6	-	AZA	C4 H3 N5 O2	c12c([nH]n....
5	3PK8	-	AZA	C4 H3 N5 O2	c12c([nH]n....
6	2FXL	-	2AL	C4 H4 N4 O3	C1(=O)C(=N....
7	3PKF	-	AZA	C4 H3 N5 O2	c12c([nH]n....
8	3PLI	-	AZA	C4 H3 N5 O2	c12c([nH]n....
9	2ICQ	-	AZA	C4 H3 N5 O2	c12c([nH]n....
10	2IC0	-	AZA	C4 H3 N5 O2	c12c([nH]n....
11	4CW2	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
12	4D13	-	IUP	C5 H4 N4 O5	C12=NC(=O)....
13	3L9G	-	URC	C5 H4 N4 O3	C12=C(NC(=....
14	1WRR	-	UNC	C4 H4 N4 O4	C1(=C(NC(=....
15	2FUB	-	AZA	C4 H3 N5 O2	c12c([nH]n....
16	4D19	-	URC	C5 H4 N4 O3	C12=C(NC(=....
17	3PLE	-	AZA	C4 H3 N5 O2	c12c([nH]n....
18	2ZKA	-	OXY	O2	O=O
19	3L8W	-	XAN	C5 H4 N4 O2	c1[nH]c2c(....
20	1R4S	-	MUA	C6 H6 N4 O3	CN1C2=C(C(....
21	3LBG	-	8TX	C5 H4 N4 O2 S	C12=C(NC(=....
22	3PKL	-	AZA	C4 H3 N5 O2	c12c([nH]n....
23	3PLJ	-	AZA	C4 H3 N5 O2	c12c([nH]n....
24	3CKS	-	OXY	O2	O=O
25	3PKK	-	AZA	C4 H3 N5 O2	c12c([nH]n....
26	4PR8	-	URC	C5 H4 N4 O3	C12=C(NC(=....
27	3PLM	-	AZA	C4 H3 N5 O2	c12c([nH]n....
28	2ZKB	-	OXY	O2	O=O
29	3BK8	-	AZA	C4 H3 N5 O2	c12c([nH]n....
30	3PKT	-	AZA	C4 H3 N5 O2	c12c([nH]n....
31	3PLH	-	AZA	C4 H3 N5 O2	c12c([nH]n....
32	3OBP	-	URC	C5 H4 N4 O3	C12=C(NC(=....
33	3PKH	-	AZA	C4 H3 N5 O2	c12c([nH]n....
34	4N9V	-	AZA	C4 H3 N5 O2	c12c([nH]n....
35	3PK5	-	AZA	C4 H3 N5 O2	c12c([nH]n....
36	1XT4	-	GUN	C5 H5 N5 O	c1[nH]c2c(....
37	4D12	-	URC	C5 H4 N4 O3	C12=C(NC(=....
38	1R51	-	AZA	C4 H3 N5 O2	c12c([nH]n....
39	4CW6	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
40	1R4U	-	OXC	C4 H5 N3 O4	C1(NC(=O)N....
41	3BJP	-	URC	C5 H4 N4 O3	C12=C(NC(=....
42	3PLG	-	AZA	C4 H3 N5 O2	c12c([nH]n....
43	3PKS	-	AZA	C4 H3 N5 O2	c12c([nH]n....
44	3CKU	-	AZA	C4 H3 N5 O2	c12c([nH]n....
45	3PKG	-	AZA	C4 H3 N5 O2	c12c([nH]n....
46	4CW0	-	MUA	C6 H6 N4 O3	CN1C2=C(C(....
47	3LD4	-	8NX	C5 H3 N5 O4	c12c(nc([n....
48	3PK3	-	AZA	C4 H3 N5 O2	c12c([nH]n....
49	4CW3	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
50	4D17	-	URC	C5 H4 N4 O3	C12=C(NC(=....
51	3PJK	-	AZA	C4 H3 N5 O2	c12c([nH]n....

50% Homology Family (52)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	2IBA	-	AZA	C4 H3 N5 O2	c12c([nH]n....
2	3PKU	-	AZA	C4 H3 N5 O2	c12c([nH]n....
3	3PK4	-	AZA	C4 H3 N5 O2	c12c([nH]n....
4	3PK6	-	AZA	C4 H3 N5 O2	c12c([nH]n....
5	3PK8	-	AZA	C4 H3 N5 O2	c12c([nH]n....
6	2FXL	-	2AL	C4 H4 N4 O3	C1(=O)C(=N....
7	3PKF	-	AZA	C4 H3 N5 O2	c12c([nH]n....
8	3PLI	-	AZA	C4 H3 N5 O2	c12c([nH]n....
9	2ICQ	-	AZA	C4 H3 N5 O2	c12c([nH]n....
10	2IC0	-	AZA	C4 H3 N5 O2	c12c([nH]n....
11	4CW2	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
12	4D13	-	IUP	C5 H4 N4 O5	C12=NC(=O)....
13	3L9G	-	URC	C5 H4 N4 O3	C12=C(NC(=....
14	1WRR	-	UNC	C4 H4 N4 O4	C1(=C(NC(=....
15	2FUB	-	AZA	C4 H3 N5 O2	c12c([nH]n....
16	4D19	-	URC	C5 H4 N4 O3	C12=C(NC(=....
17	3PLE	-	AZA	C4 H3 N5 O2	c12c([nH]n....
18	2ZKA	-	OXY	O2	O=O
19	3L8W	-	XAN	C5 H4 N4 O2	c1[nH]c2c(....
20	1R4S	-	MUA	C6 H6 N4 O3	CN1C2=C(C(....
21	3LBG	-	8TX	C5 H4 N4 O2 S	C12=C(NC(=....
22	3PKL	-	AZA	C4 H3 N5 O2	c12c([nH]n....
23	3PLJ	-	AZA	C4 H3 N5 O2	c12c([nH]n....
24	3CKS	-	OXY	O2	O=O
25	3PKK	-	AZA	C4 H3 N5 O2	c12c([nH]n....
26	4PR8	-	URC	C5 H4 N4 O3	C12=C(NC(=....
27	3PLM	-	AZA	C4 H3 N5 O2	c12c([nH]n....
28	2ZKB	-	OXY	O2	O=O
29	3BK8	-	AZA	C4 H3 N5 O2	c12c([nH]n....
30	3PKT	-	AZA	C4 H3 N5 O2	c12c([nH]n....
31	3PLH	-	AZA	C4 H3 N5 O2	c12c([nH]n....
32	3OBP	-	URC	C5 H4 N4 O3	C12=C(NC(=....
33	3PKH	-	AZA	C4 H3 N5 O2	c12c([nH]n....
34	4N9V	-	AZA	C4 H3 N5 O2	c12c([nH]n....
35	3PK5	-	AZA	C4 H3 N5 O2	c12c([nH]n....
36	1XT4	-	GUN	C5 H5 N5 O	c1[nH]c2c(....
37	4D12	-	URC	C5 H4 N4 O3	C12=C(NC(=....
38	1R51	-	AZA	C4 H3 N5 O2	c12c([nH]n....
39	4CW6	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
40	1R4U	-	OXC	C4 H5 N3 O4	C1(NC(=O)N....
41	3BJP	-	URC	C5 H4 N4 O3	C12=C(NC(=....
42	3PLG	-	AZA	C4 H3 N5 O2	c12c([nH]n....
43	3PKS	-	AZA	C4 H3 N5 O2	c12c([nH]n....
44	3CKU	-	AZA	C4 H3 N5 O2	c12c([nH]n....
45	3PKG	-	AZA	C4 H3 N5 O2	c12c([nH]n....
46	4CW0	-	MUA	C6 H6 N4 O3	CN1C2=C(C(....
47	3LD4	-	8NX	C5 H3 N5 O4	c12c(nc([n....
48	3PK3	-	AZA	C4 H3 N5 O2	c12c([nH]n....
49	4CW3	-	XDS	C6 H6 N4 O5	CN1C2=NC(=....
50	4D17	-	URC	C5 H4 N4 O3	C12=C(NC(=....
51	3PJK	-	AZA	C4 H3 N5 O2	c12c([nH]n....
52	1VAY	-	AZA	C4 H3 N5 O2	c12c([nH]n....

Polypharmacology

Similar Ligands (2D)

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

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

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

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

Similar Ligands (3D)

Ligand no: 1; Ligand: MUA; Similar ligands found: 1086

No:	Ligand	Similarity coefficient
1	2AK	0.9885
2	QBK	0.9808
3	MAQ	0.9806
4	AZ8	0.9776
5	URC	0.9769
6	0FO	0.9769
7	B60	0.9768
8	PE0	0.9758
9	Q24	0.9757
10	BTY	0.9755
11	XHP	0.9754
12	9MG	0.9754
13	XAZ	0.9753
14	J9W	0.9747
15	QX4	0.9746
16	AQO	0.9744
17	B62	0.9738
18	OTW	0.9732
19	M5K	0.9727
20	AJ2	0.9726
21	MEW	0.9725
22	86J	0.9724
23	M6N	0.9723
24	44W	0.9713
25	75K	0.9712
26	DQU	0.9712
27	B55	0.9711
28	5JQ	0.9706
29	KT7	0.9702
30	4HC	0.9701
31	8TX	0.9684
32	2HQ	0.9661
33	MVN	0.9657
34	KUF	0.9657
35	6ME	0.9655
36	TOF	0.9649
37	UNC	0.9642
38	AJV	0.9631
39	0P6	0.9628
40	M1Q	0.9624
41	5JL	0.9617
42	FOT	0.9617
43	E7Z	0.9608
44	AZ9	0.9592
45	8CM	0.9584
46	4Z4	0.9584
47	44V	0.9580
48	AZA	0.9577
49	8IG	0.9571
50	GUN	0.9569
51	OXC	0.9568
52	G3F	0.9566
53	CWS	0.9560
54	9DG	0.9559
55	HQD	0.9547
56	IJZ	0.9540
57	IGA	0.9540
58	UAN	0.9534
59	D07	0.9531
60	CLZ	0.9531
61	BGC	0.9529
62	32X	0.9527
63	92K	0.9527
64	XAN	0.9527
65	DIN	0.9519
66	GCS	0.9518
67	0N7	0.9513
68	GXY	0.9511
69	4ME	0.9510
70	APZ	0.9509
71	2FQ	0.9509
72	2D0	0.9497
73	3PF	0.9497
74	141	0.9495
75	YH7	0.9494
76	COU	0.9494
77	DRL	0.9491
78	42C	0.9490
79	ES0	0.9487
80	4MU	0.9486
81	CFP	0.9486
82	PH2	0.9485
83	M0W	0.9483
84	EA1	0.9481
85	X8D	0.9480
86	A7W	0.9480
87	6BL	0.9479
88	ORO	0.9479
89	BEA	0.9478
90	NDM	0.9472
91	Q88	0.9470
92	6VD	0.9470
93	8S0	0.9470
94	Q7A	0.9468
95	A2F	0.9466
96	6AP	0.9466
97	CWM	0.9461
98	5SG	0.9461
99	4YS	0.9458
100	BOA	0.9458
101	NID	0.9457
102	ISN	0.9457
103	HQY	0.9456
104	MRW	0.9455
105	5Q0	0.9455
106	4VS	0.9454
107	1NP	0.9452
108	5QY	0.9452
109	JBH	0.9451
110	MO8	0.9451
111	1P7	0.9451
112	ES7	0.9450
113	XQ0	0.9450
114	FBB	0.9449
115	O72	0.9449
116	OCH	0.9448
117	1SQ	0.9448
118	BDP	0.9446
119	JPZ	0.9445
120	C2U	0.9445
121	7NI	0.9445
122	AZG	0.9445
123	2AQ	0.9442
124	5IQ	0.9440
125	N5J	0.9438
126	DX4	0.9437
127	G3E	0.9437
128	20J	0.9437
129	Q6T	0.9435
130	7VS	0.9435
131	M0Q	0.9433
132	2AL	0.9433
133	5WV	0.9432
134	RXA	0.9432
135	7W4	0.9431
136	PYQ	0.9431
137	6GU	0.9431
138	3IT	0.9431
139	KKN	0.9430
140	34D	0.9429
141	290	0.9429
142	3Z8	0.9429
143	ES1	0.9428
144	K2T	0.9428
145	N8Y	0.9428
146	R8V	0.9426
147	JBK	0.9425
148	03V	0.9425
149	DBH	0.9425
150	LT2	0.9424
151	DPZ	0.9422
152	4JQ	0.9421
153	4FS	0.9421
154	INE	0.9421
155	Q71	0.9421
156	2EC	0.9421
157	1LQ	0.9418
158	3HA	0.9416
159	NQ	0.9416
160	ADZ	0.9415
161	SE2	0.9411
162	BPU	0.9410
163	24W	0.9410
164	3F0	0.9409
165	FE DB1	0.9408
166	3M0	0.9404
167	ES5	0.9403
168	36R	0.9403
169	ET2	0.9401
170	MQN	0.9400
171	AW5	0.9399
172	AKH	0.9399
173	GLC	0.9399
174	5B1	0.9398
175	H42	0.9397
176	1XM	0.9395
177	7HQ	0.9394
178	VK3	0.9394
179	QPR	0.9393
180	I3A	0.9393
181	4CS	0.9393
182	RM1	0.9393
183	HLZ	0.9391
184	FA0	0.9390
185	J5I	0.9387
186	M1H	0.9387
187	8GC	0.9387
188	12Q	0.9385
189	KJH	0.9384
190	J9T	0.9382
191	JXN	0.9378
192	1KP	0.9376
193	Q77	0.9374
194	3ID	0.9373
195	KJY	0.9373
196	FDB	0.9373
197	DOB	0.9372
198	1LM	0.9372
199	5WY	0.9372
200	CLW	0.9370
201	7W1	0.9369
202	D48	0.9369
203	0TU	0.9368
204	BHA	0.9367
205	DHQ	0.9366
206	PQ0	0.9365
207	39O	0.9364
208	4M0	0.9362
209	I6G	0.9362
210	5OB	0.9359
211	7B4	0.9357
212	7ME	0.9357
213	BCP	0.9357
214	7ZE	0.9356
215	5NU	0.9354
216	JG8	0.9353
217	5QX	0.9351
218	5RG	0.9351
219	1XN	0.9350
220	DOR	0.9350
221	0CU	0.9347
222	9R5	0.9346
223	7MU	0.9345
224	2ZQ	0.9344
225	1P8	0.9338
226	4XH	0.9337
227	VGD	0.9336
228	GTQ	0.9333
229	HJP	0.9333
230	4YO	0.9331
231	97T	0.9330
232	94W	0.9327
233	15L	0.9322
234	DMD	0.9320
235	DIU	0.9320
236	LDR	0.9319
237	GAB	0.9319
238	HQT	0.9319
239	5RN	0.9319
240	5WX	0.9319
241	GAL	0.9318
242	HH8	0.9317
243	ZVO	0.9317
244	G12	0.9317
245	JBQ	0.9316
246	B5D	0.9315
247	54G	0.9314
248	JB5	0.9313
249	4KL	0.9313
250	5VM	0.9312
251	PRF	0.9311
252	5CU	0.9310
253	TT4	0.9310
254	FDR	0.9309
255	4TU	0.9308
256	5M0	0.9306
257	3HB	0.9305
258	9FL	0.9305
259	5HN	0.9304
260	9KT	0.9303
261	CFF	0.9301
262	M1E	0.9301
263	3AB	0.9300
264	A29	0.9300
265	53C	0.9300
266	3NT	0.9299
267	ES2	0.9297
268	HHR	0.9297
269	UEG	0.9296
270	M1A	0.9294
271	AJY	0.9293
272	6M9	0.9292
273	6RQ	0.9291
274	HH5	0.9291
275	0W8	0.9289
276	OVV	0.9288
277	BZ3	0.9288
278	PEY	0.9286
279	37T	0.9286
280	226	0.9286
281	PXL	0.9286
282	LZM	0.9284
283	FLV	0.9284
284	5RO	0.9283
285	HKD	0.9282
286	B53	0.9281
287	TTL	0.9281
288	42A	0.9280
289	12B	0.9279
290	2LY	0.9278
291	D1X	0.9277
292	3WA	0.9276
293	9AP	0.9275
294	5XC	0.9275
295	GDE	0.9275
296	ICO	0.9273
297	DBJ	0.9270
298	SXS	0.9270
299	IV2	0.9268
300	PDC	0.9268
301	6CS	0.9267
302	NTZ	0.9263
303	NMJ	0.9262
304	CWJ	0.9262
305	WCE	0.9261
306	GJS	0.9259
307	0XT	0.9259
308	7VJ	0.9259
309	SVN	0.9257
310	GCU	0.9257
311	GM7	0.9256
312	JAE	0.9256
313	8WT	0.9256
314	3BZ	0.9253
315	TEP	0.9252
316	209	0.9251
317	680	0.9246
318	J9Q	0.9245
319	G5V	0.9244
320	VNL	0.9244
321	5MK	0.9241
322	LI6	0.9237
323	Z5P	0.9234
324	14O	0.9233
325	069	0.9233
326	PXM	0.9232
327	JUG	0.9230
328	A13	0.9230
329	5H1	0.9229
330	TGX	0.9229
331	OVM	0.9228
332	7B3	0.9227
333	DX3	0.9226
334	495	0.9224
335	SHG	0.9224
336	173	0.9223
337	3MB	0.9221
338	4JT	0.9220
339	HHA	0.9220
340	C2Y	0.9217
341	SYV	0.9216
342	HQJ	0.9216
343	0RW	0.9215
344	HMH	0.9215
345	15N	0.9214
346	1IT	0.9213
347	F60	0.9212
348	CH9	0.9212
349	67N	0.9211
350	GZL	0.9211
351	BRT	0.9210
352	9CA	0.9210
353	SKA	0.9210
354	HLR	0.9209
355	9EW	0.9209
356	MT0	0.9209
357	92P	0.9209
358	4AA	0.9209
359	TWO	0.9209
360	BZX	0.9208
361	2K4	0.9208
362	BK9	0.9208
363	QWN	0.9208
364	5MI	0.9206
365	LGC	0.9205
366	SX1	0.9204
367	5NE	0.9204
368	4NC	0.9204
369	6AI	0.9202
370	H33	0.9201
371	G1O	0.9200
372	X0W	0.9199
373	WOO	0.9199
374	HNQ	0.9198
375	8WO	0.9197
376	5MB	0.9195
377	ABV	0.9194
378	ODO	0.9191
379	CTS	0.9189
380	F05	0.9188
381	B57	0.9188
382	KJU	0.9187
383	GZ8	0.9186
384	DHK	0.9185
385	0F9	0.9185
386	N2I	0.9184
387	QAT	0.9183
388	LKA	0.9183
389	8W9	0.9181
390	ALL	0.9181
391	DNA	0.9180
392	UFO	0.9180
393	8NX	0.9178
394	BZJ	0.9178
395	15E	0.9172
396	SWA	0.9172
397	ROI	0.9169
398	JA8	0.9168
399	JYB	0.9166
400	F31	0.9166
401	CTL	0.9164
402	M2K	0.9162
403	25W	0.9162
404	6M4	0.9161
405	8H8	0.9158
406	OA3	0.9156
407	OW4	0.9155
408	PQK	0.9153
409	QUZ	0.9151
410	KYA	0.9151
411	NDH	0.9150
412	11S	0.9150
413	2CQ	0.9148
414	3DO	0.9147
415	LSA	0.9146
416	270	0.9144
417	ES9	0.9144
418	7MX	0.9144
419	FYU	0.9143
420	9TZ	0.9143
421	HLD	0.9143
422	BHO	0.9143
423	AX7	0.9142
424	2KA	0.9142
425	MWP	0.9142
426	JXW	0.9141
427	10L	0.9140
428	ZYR	0.9140
429	GVG	0.9140
430	INO	0.9139
431	8XQ	0.9137
432	PRZ	0.9137
433	HZQ	0.9136
434	0FK	0.9135
435	3NY	0.9135
436	2F6	0.9135
437	EVA	0.9135
438	7WR	0.9133
439	39A	0.9132
440	HPA	0.9131
441	8HC	0.9131
442	QAS	0.9130
443	NPY	0.9129
444	2MI	0.9128
445	QWW	0.9128
446	JND	0.9125
447	150	0.9122
448	64C	0.9121
449	GCW	0.9121
450	JU2	0.9121
451	1WG	0.9120
452	F12	0.9120
453	MS9	0.9120
454	SOR	0.9119
455	EYK	0.9118
456	QSH	0.9118
457	MYJ	0.9117
458	C9E	0.9117
459	YQA	0.9117
460	DNC	0.9116
461	XX2	0.9115
462	QXW	0.9115
463	NOJ	0.9114
464	DHB	0.9113
465	2ZM	0.9112
466	KIB	0.9112
467	R9Y	0.9111
468	93K	0.9110
469	MR1	0.9110
470	L5V	0.9109
471	SYA	0.9109
472	H5B	0.9107
473	KIA	0.9107
474	6NT	0.9107
475	PFB	0.9106
476	2HO	0.9105
477	DNF	0.9104
478	3DM	0.9104
479	SRO	0.9103
480	344	0.9102
481	PHH	0.9102
482	4A3	0.9101
483	3QV	0.9101
484	H4N	0.9100
485	G6D	0.9100
486	BP1	0.9098
487	E35	0.9097
488	FBU	0.9097
489	FHB	0.9094
490	2HU	0.9094
491	AX3	0.9093
492	XQG	0.9091
493	EV0	0.9090
494	QX2	0.9090
495	P92	0.9084
496	5NS	0.9084
497	SOE	0.9084
498	FK1	0.9083
499	ABI	0.9083
500	ZZT	0.9083
501	28N	0.9083
502	6MP	0.9082
503	P9P	0.9081
504	FGZ	0.9081
505	K5W	0.9081
506	0HN	0.9080
507	FBG	0.9080
508	091	0.9080
509	52C	0.9080
510	F0J	0.9078
511	HIS	0.9078
512	7WA	0.9077
513	SKM	0.9077
514	BTE	0.9076
515	GTR	0.9076
516	HMU	0.9074
517	F5B	0.9073
518	KDV	0.9072
519	5GU	0.9071
520	3HM	0.9070
521	DBX	0.9069
522	0JD	0.9068
523	9HX	0.9065
524	ADE	0.9065
525	F2W	0.9065
526	KFH	0.9064
527	9DA	0.9062
528	TH7	0.9061
529	GYE	0.9060
530	J6W	0.9060
531	6NI	0.9059
532	JR2	0.9059
533	EQT	0.9058
534	YSO	0.9058
535	5NI	0.9056
536	9TW	0.9055
537	GCB	0.9055
538	0HO	0.9054
539	PD2	0.9054
540	0GZ	0.9052
541	2K8	0.9051
542	2A9	0.9050
543	7HP	0.9050
544	TTY	0.9050
545	9FE	0.9048
546	V55	0.9047
547	F9Y	0.9045
548	SAL	0.9045
549	30G	0.9045
550	8ZE	0.9044
551	5VL	0.9043
552	GJP	0.9042
553	1U6	0.9040
554	JAW	0.9039
555	VXX	0.9038
556	NNO	0.9036
557	E1T	0.9035
558	CHB	0.9033
559	JBE	0.9033
560	1X7	0.9032
561	3MG	0.9028
562	JTH	0.9027
563	DRG	0.9026
564	24B	0.9025
565	1F1	0.9024
566	4RU	0.9023
567	3FH	0.9023
568	0W1	0.9021
569	XXR	0.9021
570	4SV	0.9016
571	NAG	0.9016
572	1HN	0.9015
573	3A9	0.9015
574	S76	0.9015
575	ISE	0.9015
576	45C	0.9013
577	F4Z	0.9013
578	3U4	0.9011
579	TC7	0.9011
580	PX7	0.9011
581	8G0	0.9010
582	8NY	0.9009
583	TIY	0.9009
584	4M4	0.9009
585	NSP	0.9008
586	ISZ	0.9006
587	PM6	0.9006
588	AY4	0.9005
589	51R	0.9003
590	6TZ	0.9003
591	1M2	0.9001
592	18N	0.9001
593	X05	0.9001
594	JKE	0.8998
595	IPB	0.8998
596	E7S	0.8998
597	EN1	0.8997
598	MHK	0.8996
599	PHT	0.8995
600	HHS	0.8995
601	JXZ	0.8994
602	XM0	0.8993
603	AHR	0.8992
604	BE2	0.8991
605	27B	0.8991
606	CFI	0.8991
607	ESI	0.8991
608	TSS	0.8991
609	82I	0.8989
610	XYP	0.8989
611	4AN	0.8988
612	2A7	0.8987
613	7WV	0.8987
614	JLZ	0.8983
615	EKZ	0.8983
616	ES6	0.8982
617	1WD	0.8982
618	2H5	0.8981
619	ZZ8	0.8980
620	EXO	0.8979
621	B56	0.8978
622	PZI	0.8977
623	1P3	0.8977
624	HA7	0.8977
625	VOH	0.8976
626	NTM	0.8976
627	BCU	0.8975
628	K32	0.8975
629	M5N	0.8974
630	4HM	0.8974
631	EJZ	0.8972
632	12T	0.8972
633	0FN	0.8970
634	OVP	0.8970
635	K6X	0.8968
636	2BG	0.8968
637	ES4	0.8968
638	NIZ	0.8965
639	ASC	0.8964
640	M1Z	0.8961
641	K17	0.8961
642	2CK	0.8960
643	BMA	0.8960
644	3R6	0.8959
645	ZZZ	0.8959
646	X11	0.8953
647	GV9	0.8953
648	SWD	0.8950
649	NVU	0.8950
650	2FY	0.8949
651	APG	0.8948
652	SHA	0.8947
653	3J8	0.8946
654	HA5	0.8944
655	QSB	0.8944
656	1DW	0.8944
657	RMN	0.8944
658	AA	0.8943
659	EDR	0.8942
660	3OC	0.8941
661	BPY	0.8940
662	NCT	0.8940
663	8OZ	0.8940
664	GOX	0.8940
665	NPO	0.8938
666	MJ2	0.8937
667	AEZ	0.8934
668	6X9	0.8933
669	K22	0.8932
670	39U	0.8932
671	TBS	0.8930
672	KTW	0.8929
673	6KT	0.8929
674	L99	0.8929
675	LZ2	0.8927
676	TIU	0.8927
677	OTD	0.8926
678	FBW	0.8922
679	1AL	0.8921
680	X09	0.8920
681	XCZ	0.8919
682	HTP	0.8918
683	LXC	0.8917
684	ONR	0.8914
685	XIY	0.8914
686	IHB	0.8913
687	23A	0.8913
688	KTJ	0.8913
689	BSP	0.8912
690	RAM	0.8912
691	JB8	0.8910
692	KLW	0.8909
693	ADK	0.8908
694	EGR	0.8908
695	INS	0.8907
696	NDG	0.8906
697	1QP	0.8905
698	GRE	0.8905
699	X0V	0.8905
700	JDN	0.8904
701	329	0.8901
702	PJW	0.8899
703	GNM	0.8898
704	GIO	0.8898
705	NGO	0.8896
706	2FG	0.8895
707	UFV	0.8889
708	4P5	0.8888
709	3MA	0.8885
710	6QF	0.8884
711	GOG	0.8882
712	ASO	0.8882
713	IFL	0.8882
714	5WU	0.8880
715	9ZE	0.8880
716	GTZ	0.8880
717	IFP	0.8879
718	3Z7	0.8879
719	BEZ	0.8879
720	ANF	0.8878
721	67X	0.8878
722	8MO	0.8875
723	K97	0.8874
724	428	0.8873
725	2ZV	0.8871
726	293	0.8871
727	1A7	0.8870
728	JKZ	0.8868
729	L22	0.8867
730	5VJ	0.8867
731	8GK	0.8867
732	GCV	0.8866
733	BZE	0.8866
734	7I2	0.8864
735	582	0.8864
736	AN3	0.8863
737	4ZC	0.8863
738	MAN	0.8863
739	KOJ	0.8857
740	APS	0.8857
741	HFB	0.8856
742	OW7	0.8856
743	ARP	0.8856
744	PHU	0.8855
745	XXP	0.8853
746	9UL	0.8853
747	IUP	0.8851
748	4XV	0.8850
749	GIM	0.8850
750	JP2	0.8848
751	23J	0.8848
752	PHE	0.8846
753	6F0	0.8843
754	6M1	0.8842
755	6R8	0.8842
756	OMD	0.8841
757	EUG	0.8839
758	2O6	0.8839
759	DA4	0.8838
760	PHB	0.8838
761	GT0	0.8838
762	FBM	0.8837
763	GHM	0.8834
764	GLA	0.8834
765	TPA	0.8834
766	V1T	0.8832
767	149	0.8831
768	KBG	0.8830
769	6OT	0.8830
770	68A	0.8830
771	4FH	0.8830
772	4XR	0.8829
773	MVL	0.8828
774	ZZ3	0.8826
775	CKA	0.8824
776	IWT	0.8823
777	4V2	0.8823
778	KBB	0.8822
779	DEN	0.8822
780	4SX	0.8822
781	M4E	0.8821
782	DQN	0.8820
783	06B	0.8818
784	BZ2	0.8813
785	0LH	0.8813
786	IND	0.8811
787	RPQ	0.8810
788	LDP	0.8809
789	DEE	0.8809
790	P3K	0.8808
791	L3Q	0.8808
792	G2F	0.8807
793	PFL	0.8806
794	F81	0.8805
795	KGK	0.8805
796	BCF	0.8804
797	8XL	0.8799
798	GIV	0.8799
799	GLY PRO	0.8799
800	BNT	0.8798
801	5CL	0.8796
802	MPI	0.8795
803	PAB	0.8794
804	RZH	0.8793
805	NBZ	0.8793
806	THA	0.8793
807	E5X	0.8793
808	TDR	0.8792
809	NIO	0.8792
810	3RK	0.8791
811	J01	0.8790
812	PIM	0.8790
813	QQQ	0.8790
814	6PC	0.8789
815	MT8	0.8789
816	DGJ	0.8789
817	LZ1	0.8788
818	BZI	0.8788
819	9PY	0.8788
820	URF	0.8788
821	R20	0.8787
822	FSW	0.8787
823	N3W	0.8787
824	HBD	0.8785
825	SLS	0.8784
826	1MC	0.8784
827	MT5	0.8781
828	CN0	0.8781
829	BBF	0.8781
830	537	0.8781
831	0R1	0.8779
832	BZF	0.8779
833	CK2	0.8779
834	NSG	0.8779
835	GNL	0.8779
836	Q02	0.8779
837	GVH	0.8778
838	OAA	0.8777
839	LNR	0.8775
840	43M	0.8773
841	Z82	0.8773
842	GLT	0.8771
843	TVP	0.8769
844	A7H	0.8769
845	L7T	0.8768
846	F9P	0.8768
847	ICP	0.8766
848	PIY	0.8766
849	FRU	0.8766
850	7FF	0.8765
851	LT8	0.8765
852	GF4	0.8764
853	VGL	0.8763
854	UQ	0.8763
855	1WC	0.8763
856	PZA	0.8761
857	HX3	0.8761
858	W8G	0.8761
859	JF1	0.8761
860	ADA	0.8759
861	64E	0.8759
862	QIC	0.8759
863	AIN	0.8759
864	4JP	0.8758
865	N0Z	0.8758
866	ANC	0.8758
867	NLA	0.8757
868	TXW	0.8757
869	MNM	0.8757
870	WBU	0.8755
871	FP1	0.8754
872	PBC	0.8754
873	DPT	0.8753
874	MCT	0.8753
875	TH0	0.8753
876	PCI	0.8752
877	1GN	0.8752
878	QUS	0.8751
879	MIG	0.8751
880	NCA	0.8750
881	PYD	0.8750
882	5UC	0.8749
883	PBZ	0.8749
884	II6	0.8749
885	4XS	0.8748
886	F3B	0.8748
887	PBA	0.8748
888	GOJ	0.8747
889	GXL	0.8747
890	J9N	0.8746
891	R8S	0.8744
892	NOY	0.8744
893	1Y6	0.8742
894	826	0.8742
895	HBO	0.8742
896	YCP	0.8742
897	0CT	0.8741
898	4VY	0.8741
899	UNU	0.8740
900	4HO	0.8739
901	TYL	0.8738
902	BEN	0.8737
903	BAM	0.8737
904	261	0.8737
905	FA3	0.8737
906	DFB	0.8737
907	EXD	0.8735
908	ESP	0.8735
909	XM5	0.8734
910	DIE	0.8733
911	4BL	0.8733
912	2MP	0.8731
913	3AL	0.8730
914	K34	0.8730
915	I1N	0.8729
916	XYD	0.8726
917	IBF	0.8726
918	2SX	0.8726
919	FBV	0.8725
920	SVD	0.8725
921	34A	0.8724
922	4BY	0.8724
923	IDM	0.8724
924	P72	0.8723
925	4ZA	0.8722
926	MWM	0.8721
927	GAF	0.8721
928	NTN	0.8720
929	K44	0.8720
930	XQK	0.8720
931	B2J	0.8720
932	X6X	0.8720
933	6E8	0.8719
934	K8X	0.8718
935	NGT	0.8717
936	NCD	0.8716
937	5MH	0.8715
938	4JO	0.8715
939	ICB	0.8714
940	4ZE	0.8714
941	XBZ	0.8710
942	MPV	0.8710
943	F4E	0.8709
944	W81	0.8707
945	ENL	0.8707
946	SW7	0.8706
947	PKU	0.8706
948	4MA	0.8705
949	2AC	0.8704
950	VNJ	0.8703
951	JF2	0.8703
952	HXX	0.8702
953	275	0.8702
954	H05	0.8700
955	NK	0.8699
956	IAC	0.8699
957	UNJ	0.8698
958	YIO	0.8697
959	MSR	0.8697
960	AC0	0.8694
961	EMZ	0.8694
962	JZ2	0.8692
963	F1A	0.8692
964	AP4	0.8691
965	MBG	0.8691
966	5TY	0.8689
967	4JJ	0.8689
968	KJ5	0.8689
969	3SK	0.8688
970	GCO	0.8687
971	JIF	0.8685
972	RD4	0.8684
973	FB1	0.8684
974	7MK	0.8684
975	4WL	0.8681
976	0BP	0.8681
977	4CL	0.8680
978	FUD	0.8680
979	1XA	0.8680
980	A1U	0.8679
981	QOS	0.8679
982	IUR	0.8676
983	3GQ	0.8675
984	60Q	0.8674
985	GOO	0.8674
986	6FZ	0.8674
987	PNZ	0.8673
988	717	0.8672
989	SS1	0.8672
990	3ZB	0.8671
991	QSC	0.8670
992	ANN	0.8670
993	GDL	0.8668
994	GAG	0.8667
995	MZG	0.8667
996	XDE	0.8666
997	FLC	0.8664
998	FBT	0.8662
999	K37	0.8662
1000	TM7	0.8661
1001	174	0.8659
1002	X0U	0.8657
1003	ZWZ	0.8657
1004	9RW	0.8656
1005	NHG	0.8656
1006	AMG	0.8655
1007	SYR	0.8654
1008	49O	0.8652
1009	MAJ	0.8650
1010	FDK	0.8649
1011	2YU	0.8649
1012	0R0	0.8647
1013	6XI	0.8642
1014	3R4	0.8641
1015	28S	0.8641
1016	GSY	0.8641
1017	JZ3	0.8641
1018	ESX	0.8641
1019	JZ9	0.8640
1020	M78	0.8640
1021	3TJ	0.8639
1022	RIP	0.8638
1023	AC6	0.8636
1024	95Z	0.8635
1025	OXQ	0.8629
1026	H62	0.8627
1027	FA1	0.8627
1028	27Y	0.8626
1029	HT4	0.8624
1030	4P0	0.8622
1031	14J	0.8621
1032	MWJ	0.8619
1033	JFD	0.8618
1034	3XX	0.8617
1035	BR9	0.8614
1036	FHC	0.8613
1037	SMN	0.8611
1038	0MK	0.8611
1039	TLD	0.8605
1040	E7R	0.8605
1041	CB1	0.8603
1042	SG2	0.8600
1043	LCN	0.8598
1044	HHT	0.8598
1045	4AV	0.8595
1046	S60	0.8595
1047	FCR	0.8594
1048	549	0.8594
1049	7MH	0.8594
1050	5JC	0.8590
1051	1Z6	0.8590
1052	E3D	0.8590
1053	FUC	0.8588
1054	LYL	0.8586
1055	MMA	0.8586
1056	7CZ	0.8586
1057	IF7	0.8585
1058	0TR	0.8583
1059	DK1	0.8574
1060	MXX	0.8571
1061	H7Y	0.8570
1062	4V6	0.8570
1063	SR4	0.8567
1064	2JK	0.8564
1065	M3H	0.8562
1066	BGU	0.8561
1067	KIF	0.8561
1068	GIF	0.8561
1069	4TE	0.8558
1070	T6C	0.8556
1071	4I8	0.8555
1072	KYD	0.8555
1073	EOL	0.8551
1074	BIK	0.8547
1075	VM1	0.8547
1076	2HC	0.8546
1077	DYA	0.8546
1078	PA1	0.8542
1079	JFJ	0.8541
1080	3BU	0.8540
1081	TAR	0.8533
1082	FH2	0.8529
1083	DHR	0.8529
1084	DMJ	0.8529
1085	TAG	0.8526
1086	QMS	0.8509

Ligand no: 2; Ligand: XDS; Similar ligands found: 0

No:	Ligand	Similarity coefficient

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

Pocket No.: 1; Query (leader) PDB : 3L8W; Ligand: XAN; 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: 3l8w.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 3L8W; Ligand: XAN; 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: 3l8w.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 3L8W; Ligand: XAN; 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: 3l8w.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 3L8W; Ligand: XAN; 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: 3l8w.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

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