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Showing PDB: 2j7h

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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
2j7h	1.95 Å	EC: 3.2.1.21	BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH AZAFAGOMINE	THERMOTOGA MARITIMA	FAMILY 1 HYDROLASE INHIBITOR GLYCOSIDASE POLYSACCHARIDE DEGRADATION TRANSITION STATE MIMIC CARBOHYDRATE METABOLISM GLYCOSIDE HYDROLASE CELLULOSE DEGRADATION
Ref.:	GLYCOSIDASE INHIBITION: AN ASSESSMENT OF THE BINDING OF 18 PUTATIVE TRANSITION-STATE MIMICS. J.AM.CHEM.SOC. V. 129 2345 2007

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
ACT	A:1448; A:1449; B:1448;	Invalid; Invalid; Invalid;	none; none; none;	submit data		59.044	C2 H3 O2	CC(=O...
AZF	A:1446; B:1445;	Valid; Valid;	none; none;	Kd = 65 nM		148.16	C5 H12 N2 O3	C1[C@...
CA	A:1447; B:1446; B:1447;	Part of Protein; Part of Protein; Part of Protein;	none; none; none;	submit data		40.078	Ca	[Ca+2...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
2CET	1.97 Å	EC: 3.2.1.21	BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH PHENETHYL-SUBSTITUTED GLUCOIMIDAZOLE	THERMOTOGA MARITIMA	GLYCOSIDE HYDROLASE INHIBITOR TRANSITION STATE MIMIC FAMILY 1 PHENETHYL-SUBSTITUTED GLUCOIMIDAZOLE HYDROLASE
Ref.:	STRUCTURAL, KINETIC, AND THERMODYNAMIC ANALYSIS OF GLUCOIMIDAZOLE-DERIVED GLYCOSIDASE INHIBITORS. BIOCHEMISTRY V. 45 11879 2006

Members (26)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 25 families.
1	5N6T	-	8P2	C7 H11 N2 O4	C([C@@H]1[....
2	2WBG	Ki = 35.2 uM	LGS	C15 H28 N2 O5	CCCCCCCC/N....
3	2J7H	Kd = 65 nM	AZF	C5 H12 N2 O3	C1[C@H]([C....
4	2J7D	Kd = 74 nM	GI1	C10 H17 N2 O6	CO[C@@H](c....
5	1W3J	Kd = 484 nM	OXZ	C5 H11 N O4	C1[C@H]([C....
6	2J7C	Ki = 10.7 nM	IDE	C15 H19 N3 O4	c1ccc(cc1)....
7	2J79	Kd = 1.1 uM	GTL	C6 H12 N2 O5	C([C@@H]1[....
8	2WC3	Ki = 0.83 uM	AM3	C15 H28 N2 O5	CCCCCCCC/N....
9	2J75	-	NOY	C6 H13 N O4	C1[C@@H]([....
10	2VRJ	Kd = 0.5 uM	NCW	C15 H28 N2 O4 S	CCCCCCCCNC....
11	2J7F	Kd = 445 nM	GI3	C9 H13 N2 O6	c1c([nH]c2....
12	2J77	Kd = 12.9 uM	NOJ	C6 H13 N O4	C1[C@@H]([....
13	5OSS	Kd = 28.3 uM	AEZ	C8 H12 N2 O4	c1[nH]c2c(....
14	1UZ1	Ki = 130 nM	IFL	C6 H11 N O4	C1[C@@H]([....
15	2CBU	Kd = 2.1 uM	CTS	C8 H15 N O4	C1C[N@]2C[....
16	2J7G	Kd = 100 nM	GI4	C10 H15 N2 O6	c1c([nH]c2....
17	5N6S	-	8P5	C13 H23 N4 O5	C(CCN=[N+]....
18	2WC4	Kd = 5.1 uM	AMF	C15 H28 N2 O4 S	CCCCCCCCN=....
19	2CBV	Kd = 3.3 uM	CGB	C7 H13 N O4	C1C[C@]2([....
20	1OIF	Ka = 51450000 M^-1	IFM	C6 H13 N O3	C1[C@@H]([....
21	2CES	Kd = 56 nM	GIM	C8 H13 N2 O4	c1c[n+]2c(....
22	2J7E	Kd = 48 nM	GI2	C11 H17 N2 O6	COC(=O)Cc1....
23	2J78	Kd = 384 nM	GOX	C6 H12 N2 O5	C([C@@H]1[....
24	1OIM	Ka = 210000 M^-1	NOJ	C6 H13 N O4	C1[C@@H]([....
25	2CET	Kd = 9.6 nM	PGI	C16 H21 N2 O4	c1ccc(cc1)....
26	2J7B	Kd = 240 nM	NTZ	C6 H10 N4 O4	C([C@@H]1[....

70% Homology Family (26)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 22 families.
1	5N6T	-	8P2	C7 H11 N2 O4	C([C@@H]1[....
2	2WBG	Ki = 35.2 uM	LGS	C15 H28 N2 O5	CCCCCCCC/N....
3	2J7H	Kd = 65 nM	AZF	C5 H12 N2 O3	C1[C@H]([C....
4	2J7D	Kd = 74 nM	GI1	C10 H17 N2 O6	CO[C@@H](c....
5	1W3J	Kd = 484 nM	OXZ	C5 H11 N O4	C1[C@H]([C....
6	2J7C	Ki = 10.7 nM	IDE	C15 H19 N3 O4	c1ccc(cc1)....
7	2J79	Kd = 1.1 uM	GTL	C6 H12 N2 O5	C([C@@H]1[....
8	2WC3	Ki = 0.83 uM	AM3	C15 H28 N2 O5	CCCCCCCC/N....
9	2J75	-	NOY	C6 H13 N O4	C1[C@@H]([....
10	2VRJ	Kd = 0.5 uM	NCW	C15 H28 N2 O4 S	CCCCCCCCNC....
11	2J7F	Kd = 445 nM	GI3	C9 H13 N2 O6	c1c([nH]c2....
12	2J77	Kd = 12.9 uM	NOJ	C6 H13 N O4	C1[C@@H]([....
13	5OSS	Kd = 28.3 uM	AEZ	C8 H12 N2 O4	c1[nH]c2c(....
14	1UZ1	Ki = 130 nM	IFL	C6 H11 N O4	C1[C@@H]([....
15	2CBU	Kd = 2.1 uM	CTS	C8 H15 N O4	C1C[N@]2C[....
16	2J7G	Kd = 100 nM	GI4	C10 H15 N2 O6	c1c([nH]c2....
17	5N6S	-	8P5	C13 H23 N4 O5	C(CCN=[N+]....
18	2WC4	Kd = 5.1 uM	AMF	C15 H28 N2 O4 S	CCCCCCCCN=....
19	2CBV	Kd = 3.3 uM	CGB	C7 H13 N O4	C1C[C@]2([....
20	1OIF	Ka = 51450000 M^-1	IFM	C6 H13 N O3	C1[C@@H]([....
21	2CES	Kd = 56 nM	GIM	C8 H13 N2 O4	c1c[n+]2c(....
22	2J7E	Kd = 48 nM	GI2	C11 H17 N2 O6	COC(=O)Cc1....
23	2J78	Kd = 384 nM	GOX	C6 H12 N2 O5	C([C@@H]1[....
24	1OIM	Ka = 210000 M^-1	NOJ	C6 H13 N O4	C1[C@@H]([....
25	2CET	Kd = 9.6 nM	PGI	C16 H21 N2 O4	c1ccc(cc1)....
26	2J7B	Kd = 240 nM	NTZ	C6 H10 N4 O4	C([C@@H]1[....

50% Homology Family (89)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	1W9D	ic50 = 0.58 mM	SEH	C10 H13 N O4 S2	CCS/C(=NOS....
2	1W9B	ic50 = 0.99 mM	CGT	C15 H21 N O8 S2	c1ccc(cc1)....
3	1E6Q	Ki = 0.7 mM	NTZ	C6 H10 N4 O4	C([C@@H]1[....
4	1E70	-	G2F	C6 H11 F O5	C([C@@H]1[....
5	1E71	-	ASC	C6 H8 O6	C([C@@H]([....
6	2WXD	ic50 = 3.3 uM	E18	C12 H18 N2 O4 S2	CN(C)CCS/C....
7	1E72	Ki = 0.6 mM	GOX	C6 H12 N2 O5	C([C@@H]1[....
8	1E6X	-	LGC	C6 H10 O6	C([C@@H]1[....
9	1E73	-	ASC	C6 H8 O6	C([C@@H]([....
10	1E6S	Ki = 0.6 mM	GOX	C6 H12 N2 O5	C([C@@H]1[....
11	1BGG	-	GCO	C6 H12 O7	C([C@H]([C....
12	6R4K	Ki = 51 uM	JSK	C17 H25 N7 O4	[H]/N=N/NC....
13	1E4I	-	NFG	C12 H13 F N2 O9	c1cc(c(cc1....
14	4EK7	-	BGC	C6 H12 O6	C([C@@H]1[....
15	3U57	-	DH8	C27 H34 N2 O8	C/C=C/1[C@....
16	3U5Y	-	SCG	C17 H24 O10	COC(=O)C1=....
17	5OKK	-	BGP	C6 H13 O9 P	C([C@@H]1[....
18	5OKE	-	BG6	C6 H13 O9 P	C([C@@H]1[....
19	5OKR	-	BG6	C6 H13 O9 P	C([C@@H]1[....
20	5OKG	-	BG6	C6 H13 O9 P	C([C@@H]1[....
21	5OKQ	-	BGP	C6 H13 O9 P	C([C@@H]1[....
22	5OKS	-	BG6	C6 H13 O9 P	C([C@@H]1[....
23	2ZOX	-	OLA	C18 H34 O2	CCCCCCCCC=....
24	2E9M	-	OLA	C18 H34 O2	CCCCCCCCC=....
25	2E9L	-	OLA	C18 H34 O2	CCCCCCCCC=....
26	3AI0	-	PNW	C12 H15 N O8	c1cc(ccc1[....
27	4IPN	-	SGC RTG	n/a	n/a
28	5N6T	-	8P2	C7 H11 N2 O4	C([C@@H]1[....
29	2WBG	Ki = 35.2 uM	LGS	C15 H28 N2 O5	CCCCCCCC/N....
30	2J7H	Kd = 65 nM	AZF	C5 H12 N2 O3	C1[C@H]([C....
31	2J7D	Kd = 74 nM	GI1	C10 H17 N2 O6	CO[C@@H](c....
32	1W3J	Kd = 484 nM	OXZ	C5 H11 N O4	C1[C@H]([C....
33	2J7C	Ki = 10.7 nM	IDE	C15 H19 N3 O4	c1ccc(cc1)....
34	2J79	Kd = 1.1 uM	GTL	C6 H12 N2 O5	C([C@@H]1[....
35	2WC3	Ki = 0.83 uM	AM3	C15 H28 N2 O5	CCCCCCCC/N....
36	2J75	-	NOY	C6 H13 N O4	C1[C@@H]([....
37	2VRJ	Kd = 0.5 uM	NCW	C15 H28 N2 O4 S	CCCCCCCCNC....
38	2J7F	Kd = 445 nM	GI3	C9 H13 N2 O6	c1c([nH]c2....
39	2J77	Kd = 12.9 uM	NOJ	C6 H13 N O4	C1[C@@H]([....
40	5OSS	Kd = 28.3 uM	AEZ	C8 H12 N2 O4	c1[nH]c2c(....
41	1UZ1	Ki = 130 nM	IFL	C6 H11 N O4	C1[C@@H]([....
42	2CBU	Kd = 2.1 uM	CTS	C8 H15 N O4	C1C[N@]2C[....
43	2J7G	Kd = 100 nM	GI4	C10 H15 N2 O6	c1c([nH]c2....
44	5N6S	-	8P5	C13 H23 N4 O5	C(CCN=[N+]....
45	2WC4	Kd = 5.1 uM	AMF	C15 H28 N2 O4 S	CCCCCCCCN=....
46	2CBV	Kd = 3.3 uM	CGB	C7 H13 N O4	C1C[C@]2([....
47	1OIF	Ka = 51450000 M^-1	IFM	C6 H13 N O3	C1[C@@H]([....
48	2CES	Kd = 56 nM	GIM	C8 H13 N2 O4	c1c[n+]2c(....
49	2J7E	Kd = 48 nM	GI2	C11 H17 N2 O6	COC(=O)Cc1....
50	2J78	Kd = 384 nM	GOX	C6 H12 N2 O5	C([C@@H]1[....
51	1OIM	Ka = 210000 M^-1	NOJ	C6 H13 N O4	C1[C@@H]([....
52	2CET	Kd = 9.6 nM	PGI	C16 H21 N2 O4	c1ccc(cc1)....
53	2J7B	Kd = 240 nM	NTZ	C6 H10 N4 O4	C([C@@H]1[....
54	4JIE	-	BMA	C6 H12 O6	C([C@@H]1[....
55	3AIV	-	HBO	C9 H9 N O5	COc1ccc2c(....
56	3AIQ	-	HBO	C9 H9 N O5	COc1ccc2c(....
57	3AIR	-	DNF	C6 H4 N2 O5	c1cc(c(cc1....
58	3AIS	-	HBK BGC	n/a	n/a
59	3AIW	-	DNF	C6 H4 N2 O5	c1cc(c(cc1....
60	4PTX	-	BGC	C6 H12 O6	C([C@@H]1[....
61	4PTV	-	SGC BGC	n/a	n/a
62	3GNP	-	SOG	C14 H28 O5 S	CCCCCCCCS[....
63	6RJM	-	GLC	C6 H12 O6	C([C@@H]1[....
64	6RK2	-	6GR	C13 H16 O8	c1ccc(c(c1....
65	6RJO	-	SA0	C13 H18 O7	c1ccc(c(c1....
66	5AYI	-	BGC	C6 H12 O6	C([C@@H]1[....
67	1E56	-	BGC HBO	n/a	n/a
68	1E55	Ki = 76 uM	DHR	C8 H7 N O2	c1cc(ccc1[....
69	1V08	Ki ~ 1 uM	NTZ	C6 H10 N4 O4	C([C@@H]1[....
70	1E4N	-	HBO	C9 H9 N O5	COc1ccc2c(....
71	1H49	-	HBO BGC	n/a	n/a
72	5GNX	-	BGC	C6 H12 O6	C([C@@H]1[....
73	5GNY	-	BGC	C6 H12 O6	C([C@@H]1[....
74	5GNZ	-	BGC	C6 H12 O6	C([C@@H]1[....
75	2E40	-	LGC	C6 H10 O6	C([C@@H]1[....
76	3F5K	Ki = 0.024 mM	BGC BGC BGC BGC BGC	n/a	n/a
77	7BZM	-	GIM	C8 H13 N2 O4	c1c[n+]2c(....
78	4QLL	Ka = 2400 M^-1	BGC BGC BGC BGC	n/a	n/a
79	4QLJ	-	BGC BGC BGC BGC	n/a	n/a
80	3F5J	Ki = 0.052 mM	BGC BGC BGC BGC	n/a	n/a
81	4QLK	Ka = 1800 M^-1	BGC BGC BGC BGC	n/a	n/a
82	3F5L	Ki = 0.191 mM	BGC BGC	n/a	n/a
83	3PTQ	-	NFG	C12 H13 F N2 O9	c1cc(c(cc1....
84	4PBG	-	BGP	C6 H13 O9 P	C([C@@H]1[....
85	3CMJ	-	SRT	C4 H6 O6	[C@H]([C@H....
86	5YIF	-	8VR	C9 H14 O8	C[C@]1(OC[....
87	1V03	-	BGC CCN IPH	n/a	n/a
88	2O9T	-	BGC	C6 H12 O6	C([C@@H]1[....
89	2O9R	Ki = 21 mM	SGC BGC	n/a	n/a

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: AZF; Similar ligands found: 6

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	AZF	1	1
2	AGK	1	1
3	LDU	0.46875	0.744681
4	1AB	0.46875	0.744681
5	EDG	0.46875	0.744681
6	IMR	0.46875	0.744681

Similar Ligands (3D)

Ligand no: 1; Ligand: AZF; Similar ligands found: 1099

No:	Ligand	Similarity coefficient
1	OXZ	1.0000
2	IFM	1.0000
3	DFB	1.0000
4	F81	0.9791
5	23A	0.9781
6	JZ3	0.9763
7	NOJ	0.9756
8	PYG	0.9740
9	MBD	0.9738
10	2MY	0.9735
11	GLC	0.9722
12	2C9	0.9716
13	2CM	0.9715
14	GMN	0.9710
15	3FA	0.9708
16	LCN	0.9706
17	G2F	0.9705
18	FFP	0.9700
19	3HA	0.9698
20	FLM	0.9694
21	DUB	0.9691
22	TM4	0.9688
23	MAN	0.9681
24	3DM	0.9679
25	6MH	0.9676
26	DBH	0.9676
27	P3K	0.9673
28	R8A	0.9667
29	NOY	0.9665
30	3CE	0.9664
31	ASO	0.9657
32	IFL	0.9656
33	3M0	0.9653
34	SJ5	0.9651
35	3F0	0.9650
36	3MC	0.9647
37	R1X	0.9638
38	FE DB1	0.9632
39	DMJ	0.9618
40	0R0	0.9608
41	SAL	0.9604
42	3MH	0.9603
43	94N	0.9602
44	NK	0.9602
45	AHR	0.9600
46	DIE	0.9584
47	BE2	0.9580
48	RIB	0.9580
49	MNM	0.9567
50	BGC	0.9558
51	286	0.9554
52	JZ1	0.9547
53	URF	0.9543
54	XYS	0.9540
55	LYL	0.9531
56	R2B	0.9531
57	LXC	0.9522
58	XYP	0.9520
59	3U4	0.9506
60	3XX	0.9502
61	260	0.9499
62	3SK	0.9498
63	WBU	0.9494
64	LRH	0.9493
65	NEQ	0.9477
66	C2A	0.9476
67	BMA	0.9471
68	ES6	0.9465
69	2XX	0.9464
70	4SV	0.9454
71	GIF	0.9451
72	1WD	0.9449
73	ARB	0.9448
74	HBA	0.9447
75	261	0.9442
76	HBX	0.9440
77	LGC	0.9439
78	1LN	0.9438
79	JKE	0.9435
80	64K	0.9435
81	6HQ	0.9433
82	BDR	0.9430
83	G5V	0.9429
84	G3F	0.9424
85	KBG	0.9422
86	HPA	0.9422
87	GAL	0.9420
88	FYU	0.9420
89	PA1	0.9417
90	7MH	0.9417
91	HXX	0.9415
92	BTE	0.9414
93	SYN	0.9414
94	JBK	0.9412
95	GCS	0.9411
96	FP1	0.9411
97	AFR	0.9410
98	ARA	0.9408
99	VNJ	0.9407
100	4CH	0.9406
101	7WV	0.9401
102	82I	0.9397
103	6M1	0.9396
104	24B	0.9395
105	T6C	0.9395
106	URA	0.9394
107	SOE	0.9393
108	ADE	0.9393
109	IP0	0.9392
110	94B	0.9389
111	FUC	0.9386
112	32O	0.9386
113	CAQ	0.9385
114	ABN	0.9384
115	MSN	0.9382
116	KOJ	0.9379
117	TMT	0.9377
118	0MK	0.9375
119	A1U	0.9375
120	QOS	0.9375
121	IDM	0.9375
122	MWM	0.9374
123	1XX	0.9374
124	GLF	0.9373
125	1MC	0.9369
126	6F0	0.9368
127	4ZE	0.9367
128	4PW	0.9366
129	948	0.9358
130	2CH	0.9354
131	BDF	0.9353
132	BEW	0.9353
133	GRE	0.9352
134	2AC	0.9350
135	MCT	0.9349
136	26D	0.9349
137	HJP	0.9346
138	BML	0.9344
139	RIP	0.9343
140	F05	0.9340
141	7HP	0.9340
142	DFU	0.9339
143	6M4	0.9338
144	H76	0.9337
145	BDP	0.9333
146	XAN	0.9333
147	BSX	0.9329
148	284	0.9327
149	TMZ	0.9326
150	JZ4	0.9325
151	PRY	0.9322
152	SHG	0.9319
153	NCA	0.9318
154	FOT	0.9317
155	2MP	0.9316
156	VAH	0.9314
157	8H8	0.9313
158	KIB	0.9311
159	KIA	0.9311
160	GOO	0.9310
161	ADZ	0.9307
162	HMH	0.9307
163	CRS	0.9307
164	BEN	0.9307
165	34A	0.9306
166	PXM	0.9305
167	HGQ	0.9305
168	BEZ	0.9305
169	TDR	0.9303
170	PZA	0.9300
171	TAR	0.9298
172	4AA	0.9297
173	1LQ	0.9297
174	IJZ	0.9296
175	XBZ	0.9294
176	3RK	0.9294
177	GUN	0.9294
178	FRU	0.9291
179	4VP	0.9291
180	3DO	0.9290
181	MZG	0.9289
182	ICP	0.9289
183	PYD	0.9289
184	KP6	0.9288
185	Q6T	0.9288
186	7CZ	0.9286
187	4CL	0.9286
188	4HO	0.9286
189	AMC	0.9283
190	XYD	0.9282
191	XQG	0.9282
192	TH7	0.9280
193	BZX	0.9280
194	6PC	0.9280
195	NBZ	0.9280
196	ADK	0.9277
197	APY	0.9274
198	RP7	0.9274
199	PYJ	0.9273
200	9DG	0.9272
201	PAF	0.9272
202	12M	0.9271
203	1PT	0.9271
204	TM7	0.9270
205	280	0.9270
206	BAM	0.9265
207	27Y	0.9263
208	6UA	0.9263
209	SVN	0.9261
210	4JJ	0.9260
211	3OC	0.9260
212	5NU	0.9258
213	HHA	0.9257
214	5RG	0.9255
215	3FH	0.9255
216	JBE	0.9253
217	S76	0.9253
218	2ZV	0.9253
219	KYD	0.9252
220	RUU	0.9252
221	7B4	0.9250
222	6X8	0.9250
223	RCO	0.9250
224	Q88	0.9250
225	FUL	0.9250
226	FBT	0.9249
227	JIF	0.9248
228	8S0	0.9248
229	B53	0.9247
230	B24	0.9245
231	GAG	0.9244
232	HMU	0.9240
233	NIO	0.9240
234	5UC	0.9239
235	938	0.9236
236	BR9	0.9231
237	ROR	0.9231
238	G4D	0.9231
239	NSP	0.9230
240	JZ0	0.9230
241	5WX	0.9230
242	HZP	0.9228
243	2YU	0.9227
244	ZZT	0.9227
245	C2U	0.9226
246	2LP	0.9226
247	RAM	0.9226
248	JZ2	0.9223
249	ARW	0.9223
250	GAB	0.9223
251	1MR	0.9222
252	MWJ	0.9221
253	ZWZ	0.9221
254	HT4	0.9220
255	URQ	0.9219
256	B57	0.9218
257	4H2	0.9217
258	3ZQ	0.9217
259	CN0	0.9215
260	43M	0.9213
261	K5W	0.9213
262	9CL	0.9211
263	FPI	0.9211
264	RB0	0.9210
265	RB5	0.9210
266	TH0	0.9209
267	1DW	0.9209
268	XM0	0.9209
269	282	0.9209
270	3NT	0.9209
271	BP9	0.9209
272	AKH	0.9208
273	ICC	0.9208
274	I3A	0.9207
275	5MH	0.9206
276	95Z	0.9206
277	TFU	0.9205
278	5JC	0.9204
279	2A7	0.9203
280	23W	0.9201
281	DOB	0.9200
282	3IT	0.9199
283	LG3	0.9198
284	ZZ3	0.9198
285	SEJ	0.9197
286	2CK	0.9197
287	BVF	0.9196
288	3CH	0.9195
289	3MA	0.9194
290	3Z7	0.9192
291	SYG	0.9192
292	UNU	0.9192
293	6KX	0.9190
294	HEW	0.9188
295	8EZ	0.9188
296	IPB	0.9187
297	DIU	0.9186
298	GTQ	0.9186
299	5M0	0.9185
300	LSA	0.9185
301	DGJ	0.9182
302	9TZ	0.9181
303	NBE	0.9180
304	B3R	0.9180
305	ECE	0.9180
306	4DX	0.9179
307	CYT	0.9178
308	CRN	0.9177
309	60P	0.9176
310	54G	0.9175
311	6MP	0.9175
312	42C	0.9173
313	8GF	0.9173
314	LG5	0.9173
315	GXL	0.9173
316	9EW	0.9172
317	4XX	0.9171
318	KJY	0.9170
319	XXR	0.9170
320	GAF	0.9169
321	10L	0.9169
322	3HB	0.9169
323	UEG	0.9168
324	TBP	0.9167
325	QDK	0.9166
326	O7U	0.9166
327	PBC	0.9166
328	HIO	0.9164
329	PYF	0.9164
330	IF7	0.9163
331	9DA	0.9163
332	NPO	0.9162
333	53C	0.9160
334	4ZC	0.9158
335	9HX	0.9157
336	4HM	0.9156
337	5MK	0.9155
338	GLA	0.9151
339	5CU	0.9151
340	AZA	0.9151
341	SRT	0.9151
342	3WA	0.9151
343	FAN	0.9151
344	M3T	0.9149
345	1XM	0.9149
346	ALL	0.9148
347	SS1	0.9147
348	7A8	0.9146
349	L3Q	0.9145
350	271	0.9144
351	TZE	0.9140
352	PM6	0.9140
353	HY1	0.9140
354	SS2	0.9139
355	6LW	0.9139
356	DUC	0.9139
357	DBJ	0.9138
358	YTB	0.9138
359	CIG	0.9137
360	FA0	0.9137
361	PXL	0.9136
362	BHA	0.9136
363	HPY	0.9136
364	FUF	0.9136
365	4JO	0.9135
366	PY7	0.9135
367	141	0.9134
368	ORO	0.9134
369	OVV	0.9134
370	FUB	0.9134
371	RSF	0.9134
372	JZ7	0.9133
373	AZG	0.9133
374	GCB	0.9132
375	H3M	0.9132
376	3MG	0.9131
377	0TR	0.9130
378	X6X	0.9129
379	2DR	0.9129
380	4M0	0.9128
381	51F	0.9128
382	KIV	0.9128
383	HLR	0.9127
384	UNC	0.9126
385	SHA	0.9125
386	EQT	0.9124
387	D3M	0.9124
388	SX1	0.9123
389	BNS	0.9123
390	ZB1	0.9122
391	7WA	0.9122
392	278	0.9119
393	2A9	0.9119
394	PHB	0.9119
395	KPL	0.9119
396	4YS	0.9118
397	IDH	0.9118
398	HX3	0.9116
399	2EC	0.9115
400	6AP	0.9114
401	A2F	0.9113
402	IUR	0.9112
403	HH5	0.9112
404	GLT	0.9109
405	47J	0.9109
406	HTS	0.9109
407	39A	0.9109
408	FB1	0.9108
409	JFD	0.9107
410	BP1	0.9107
411	6AI	0.9107
412	ES4	0.9107
413	GCU	0.9107
414	GBD	0.9107
415	149	0.9106
416	ES1	0.9106
417	40O	0.9104
418	IGA	0.9103
419	QSC	0.9102
420	5Q0	0.9102
421	7HQ	0.9101
422	WOO	0.9100
423	DOR	0.9099
424	EVA	0.9099
425	YH7	0.9098
426	BZI	0.9098
427	OHG	0.9098
428	XUL	0.9098
429	SWD	0.9097
430	JZ9	0.9097
431	YSO	0.9097
432	15L	0.9096
433	BOA	0.9096
434	TLA	0.9095
435	ASN	0.9095
436	RHU	0.9093
437	6CS	0.9093
438	DEN	0.9093
439	5AC	0.9091
440	285	0.9091
441	PAB	0.9091
442	ABV	0.9090
443	3V4	0.9090
444	FPY	0.9090
445	PFB	0.9090
446	OAA	0.9089
447	GVH	0.9089
448	NMJ	0.9088
449	FCB	0.9087
450	IPH	0.9087
451	290	0.9086
452	1SQ	0.9084
453	5SG	0.9083
454	0R1	0.9082
455	N5J	0.9082
456	6M9	0.9082
457	NTN	0.9082
458	5HN	0.9081
459	ILE	0.9081
460	INO	0.9081
461	RSO	0.9079
462	GOG	0.9079
463	IPZ	0.9079
464	5WY	0.9079
465	ABE	0.9079
466	34V	0.9079
467	CFP	0.9078
468	Z6J	0.9077
469	F60	0.9076
470	TTY	0.9076
471	1GN	0.9074
472	BR8	0.9074
473	RM1	0.9074
474	270	0.9073
475	V55	0.9073
476	2D0	0.9072
477	TLD	0.9071
478	93Q	0.9070
479	P72	0.9070
480	Y8I	0.9068
481	BZF	0.9068
482	HY3	0.9068
483	2FG	0.9067
484	EV0	0.9066
485	YHO	0.9066
486	FBV	0.9065
487	MMA	0.9065
488	LZ1	0.9063
489	93K	0.9062
490	MRY	0.9061
491	EUG	0.9061
492	2K4	0.9059
493	13X	0.9058
494	25W	0.9057
495	0P6	0.9057
496	XQ0	0.9055
497	MPI	0.9055
498	WTZ	0.9054
499	THR	0.9054
500	MZW	0.9052
501	2CL	0.9052
502	GIO	0.9050
503	1AN	0.9050
504	FCA	0.9050
505	AX7	0.9049
506	AX2	0.9049
507	ALO	0.9049
508	4JU	0.9048
509	34D	0.9047
510	LMR	0.9047
511	0RW	0.9047
512	SWA	0.9046
513	4JL	0.9044
514	CIZ	0.9044
515	TAG	0.9044
516	AC6	0.9044
517	9X7	0.9043
518	2MH	0.9043
519	35C	0.9041
520	MAK	0.9040
521	2AF	0.9040
522	FP2	0.9040
523	8LG	0.9040
524	4NC	0.9039
525	3AB	0.9038
526	2H5	0.9038
527	5ZE	0.9038
528	ASP	0.9038
529	XCZ	0.9037
530	LZM	0.9037
531	67N	0.9037
532	CXF	0.9034
533	5MB	0.9034
534	1Y6	0.9034
535	FBA	0.9032
536	AHB	0.9032
537	YIO	0.9032
538	DHB	0.9032
539	A2Q	0.9032
540	JPZ	0.9031
541	JBH	0.9031
542	URC	0.9031
543	M58	0.9030
544	1U6	0.9029
545	6GU	0.9029
546	3AY	0.9029
547	MZB	0.9029
548	DX4	0.9028
549	4M4	0.9028
550	PEA	0.9028
551	5MI	0.9027
552	5IQ	0.9027
553	1LM	0.9027
554	AS3	0.9027
555	MFB	0.9027
556	WDL	0.9026
557	Z82	0.9026
558	GYE	0.9025
559	D1X	0.9024
560	THE	0.9024
561	II6	0.9023
562	YCP	0.9022
563	XLS	0.9022
564	5DI	0.9022
565	IND	0.9020
566	5H1	0.9020
567	92Z	0.9020
568	O72	0.9020
569	RBL	0.9020
570	CYH	0.9020
571	P92	0.9019
572	2ZX	0.9019
573	DMV	0.9018
574	FDB	0.9018
575	40E	0.9018
576	ITN	0.9017
577	RM4	0.9015
578	NTM	0.9014
579	1NP	0.9013
580	0CT	0.9013
581	4JP	0.9013
582	PLQ	0.9013
583	ERH	0.9011
584	DIG	0.9011
585	RNS	0.9011
586	GIV	0.9010
587	HHQ	0.9009
588	UY7	0.9009
589	M1A	0.9007
590	2MI	0.9006
591	ES9	0.9006
592	7VS	0.9006
593	M2H	0.9004
594	PEL	0.9004
595	PBE	0.9004
596	4MA	0.9004
597	AUD	0.9003
598	PBZ	0.9003
599	HQY	0.9002
600	14O	0.9002
601	AC0	0.9002
602	MFU	0.9002
603	11S	0.9001
604	5QX	0.9001
605	76X	0.9000
606	LKA	0.8999
607	T9G	0.8999
608	OHP	0.8999
609	R8S	0.8998
610	7VJ	0.8998
611	INS	0.8996
612	BCP	0.8995
613	WCE	0.8995
614	R9S	0.8995
615	9MG	0.8995
616	PFL	0.8993
617	HH8	0.8992
618	3BZ	0.8990
619	YAN	0.8990
620	HYA	0.8989
621	329	0.8987
622	PCR	0.8986
623	24W	0.8985
624	ES0	0.8985
625	NPY	0.8985
626	OXQ	0.8985
627	4XR	0.8985
628	2HO	0.8985
629	A65	0.8984
630	PXY	0.8983
631	CEJ	0.8982
632	8NY	0.8981
633	MRZ	0.8981
634	G6D	0.8980
635	A7W	0.8980
636	H4N	0.8978
637	MLT	0.8978
638	QUZ	0.8976
639	293	0.8976
640	2IM	0.8976
641	FBW	0.8975
642	0LH	0.8975
643	4XH	0.8973
644	CWM	0.8973
645	7NI	0.8973
646	HSE	0.8973
647	PAV	0.8973
648	IT9	0.8972
649	VAL	0.8972
650	3ID	0.8971
651	EXO	0.8970
652	DAS	0.8970
653	KT7	0.8969
654	1XN	0.8969
655	PHT	0.8969
656	GLU	0.8969
657	MYJ	0.8969
658	ISN	0.8967
659	HAI	0.8967
660	7WG	0.8966
661	717	0.8964
662	C2B	0.8964
663	RNT	0.8963
664	HQE	0.8962
665	MR1	0.8962
666	FPN	0.8961
667	FK1	0.8958
668	DA1	0.8955
669	1WG	0.8955
670	VGL	0.8955
671	M0Q	0.8955
672	P9P	0.8955
673	B2J	0.8953
674	GDE	0.8952
675	SR1	0.8951
676	4HC	0.8951
677	GLL	0.8951
678	JAE	0.8950
679	OXC	0.8949
680	0CU	0.8948
681	MRW	0.8948
682	51R	0.8946
683	DTU	0.8946
684	CEE	0.8946
685	VNL	0.8946
686	M1E	0.8945
687	TEP	0.8945
688	BHO	0.8944
689	5JQ	0.8943
690	L89	0.8943
691	FH2	0.8943
692	MMZ	0.8943
693	ZXD	0.8942
694	LG4	0.8941
695	25R	0.8941
696	ASC	0.8941
697	ISE	0.8941
698	DIN	0.8940
699	4HS	0.8940
700	4CS	0.8939
701	SNE	0.8939
702	GXE	0.8936
703	B62	0.8935
704	F5B	0.8934
705	FDK	0.8934
706	MBG	0.8934
707	BZ3	0.8934
708	LDP	0.8933
709	7N0	0.8933
710	MB3	0.8933
711	SKM	0.8933
712	8CL	0.8932
713	HA7	0.8930
714	5RN	0.8930
715	TCZ	0.8929
716	MBN	0.8928
717	DMD	0.8928
718	PZI	0.8928
719	N8P	0.8927
720	8TX	0.8926
721	GLY PRO	0.8925
722	ISZ	0.8922
723	4JM	0.8921
724	B0D	0.8921
725	N7P	0.8921
726	F0J	0.8920
727	4NG	0.8920
728	4RW	0.8920
729	BTY	0.8919
730	BRT	0.8918
731	EYK	0.8918
732	1P8	0.8918
733	7W4	0.8917
734	AKG	0.8915
735	CTS	0.8913
736	KLW	0.8912
737	V1L	0.8907
738	2CQ	0.8906
739	OMD	0.8905
740	75K	0.8902
741	TTO	0.8899
742	CXL	0.8899
743	DHK	0.8898
744	KSW	0.8898
745	CGB	0.8896
746	32X	0.8896
747	FPK	0.8894
748	CHB	0.8892
749	EHM	0.8891
750	JBQ	0.8891
751	9TW	0.8891
752	OXE	0.8887
753	3AP	0.8887
754	SVD	0.8887
755	IOM	0.8887
756	B55	0.8886
757	SFU	0.8886
758	MLA	0.8886
759	URP	0.8886
760	4P0	0.8885
761	2MN	0.8885
762	FHN	0.8884
763	VOH	0.8883
764	PCA	0.8883
765	HBD	0.8883
766	WOT	0.8882
767	NVA	0.8881
768	42A	0.8879
769	5AN	0.8879
770	24T	0.8878
771	TSS	0.8876
772	2KT	0.8876
773	HSL	0.8876
774	DTL	0.8874
775	JFJ	0.8872
776	6JN	0.8872
777	ICO	0.8871
778	HLZ	0.8868
779	SW7	0.8868
780	1P3	0.8867
781	KFH	0.8867
782	9KH	0.8867
783	RBJ	0.8866
784	2AL	0.8865
785	XX2	0.8865
786	IHB	0.8865
787	AKB	0.8864
788	NDM	0.8863
789	DQN	0.8863
790	NIZ	0.8863
791	KBB	0.8861
792	2AP	0.8860
793	HVK	0.8860
794	FLA	0.8859
795	275	0.8857
796	2TQ	0.8857
797	93B	0.8856
798	F4Z	0.8855
799	ES5	0.8854
800	DZX	0.8854
801	QSB	0.8854
802	ISD	0.8853
803	2PC	0.8853
804	PRF	0.8852
805	4FS	0.8852
806	4JN	0.8852
807	JZ5	0.8851
808	AZ8	0.8850
809	8GC	0.8850
810	4AP	0.8849
811	3Z8	0.8847
812	COU	0.8846
813	14J	0.8846
814	KG7	0.8842
815	DBX	0.8841
816	5OB	0.8841
817	NVI	0.8841
818	Q24	0.8839
819	PQ0	0.8839
820	MLI	0.8839
821	TC7	0.8838
822	KKN	0.8838
823	AW5	0.8838
824	PE0	0.8837
825	9TY	0.8837
826	25T	0.8836
827	2AQ	0.8836
828	FQI	0.8836
829	HCS	0.8835
830	FEH	0.8835
831	OCH	0.8834
832	LFR	0.8834
833	OEM	0.8834
834	150	0.8833
835	5JL	0.8833
836	FX1	0.8832
837	PMB	0.8832
838	CLW	0.8831
839	LER	0.8831
840	IPM	0.8831
841	8IG	0.8830
842	HYP	0.8830
843	H42	0.8830
844	42J	0.8830
845	HFB	0.8829
846	5WV	0.8829
847	3PY	0.8829
848	GT0	0.8828
849	AOS	0.8827
850	069	0.8826
851	XIY	0.8825
852	HRZ	0.8824
853	M1H	0.8823
854	DHQ	0.8822
855	H8N	0.8819
856	MXN	0.8819
857	HHN	0.8817
858	GYP	0.8817
859	03V	0.8816
860	8WT	0.8816
861	JTH	0.8815
862	PIH	0.8813
863	DCD	0.8813
864	ES7	0.8812
865	BCU	0.8812
866	PRO	0.8812
867	EKZ	0.8810
868	9PY	0.8810
869	CFI	0.8809
870	YRL	0.8808
871	AQO	0.8807
872	DHS	0.8807
873	MEW	0.8806
874	AH8	0.8804
875	ET2	0.8803
876	A13	0.8803
877	ES2	0.8803
878	GCV	0.8802
879	CSS	0.8801
880	FBM	0.8801
881	PZM	0.8800
882	SF9	0.8799
883	MWP	0.8799
884	LGA	0.8798
885	CTL	0.8798
886	DTT	0.8797
887	M5K	0.8796
888	4FA	0.8796
889	UYA	0.8796
890	RPQ	0.8794
891	5XC	0.8792
892	1P7	0.8790
893	GOX	0.8790
894	PSV	0.8790
895	AEF	0.8787
896	2ZQ	0.8787
897	M1Q	0.8787
898	7ZE	0.8785
899	HYN	0.8784
900	L60	0.8784
901	IOL	0.8784
902	QFH	0.8782
903	SIN	0.8781
904	QBK	0.8781
905	5RO	0.8781
906	TFB	0.8781
907	ICF	0.8780
908	SMV	0.8780
909	9PO	0.8779
910	FA1	0.8779
911	1DH	0.8778
912	8CM	0.8778
913	VK3	0.8777
914	HVQ	0.8776
915	680	0.8774
916	AJ2	0.8774
917	PRZ	0.8773
918	8WO	0.8773
919	7D2	0.8772
920	4XV	0.8772
921	4ME	0.8772
922	J9W	0.8772
923	PAC	0.8771
924	495	0.8770
925	MO8	0.8770
926	SKJ	0.8767
927	IV2	0.8766
928	45C	0.8764
929	98J	0.8763
930	X05	0.8763
931	INE	0.8763
932	XAZ	0.8762
933	LEU	0.8762
934	QWN	0.8757
935	CWS	0.8756
936	E7Z	0.8756
937	3HM	0.8756
938	IT2	0.8755
939	36R	0.8752
940	4A3	0.8751
941	DRL	0.8751
942	DXX	0.8748
943	NDH	0.8739
944	QY9	0.8739
945	HGW	0.8739
946	BVC	0.8739
947	2FY	0.8738
948	I1N	0.8738
949	F31	0.8737
950	DEE	0.8736
951	HZQ	0.8735
952	FHB	0.8734
953	X09	0.8733
954	3HP	0.8732
955	JLZ	0.8731
956	2RA	0.8731
957	BNT	0.8730
958	0W8	0.8730
959	PYQ	0.8729
960	KUF	0.8729
961	ADA	0.8729
962	J1Z	0.8728
963	MT0	0.8728
964	DGY	0.8726
965	SXS	0.8723
966	FBB	0.8722
967	HNQ	0.8722
968	F1A	0.8722
969	COI	0.8718
970	NNO	0.8717
971	5CL	0.8715
972	1DV	0.8715
973	3MB	0.8713
974	TTL	0.8713
975	NXA	0.8712
976	4JT	0.8710
977	GXY	0.8710
978	CYS	0.8710
979	P84	0.8708
980	HIU	0.8708
981	5VM	0.8707
982	OVM	0.8707
983	IFP	0.8707
984	5B1	0.8706
985	GZL	0.8705
986	TEO	0.8704
987	GTR	0.8704
988	NID	0.8703
989	HQ9	0.8703
990	SER	0.8703
991	MS9	0.8702
992	MAE	0.8702
993	ZBT	0.8697
994	1DJ	0.8697
995	FCR	0.8695
996	4XS	0.8694
997	BE7	0.8694
998	12B	0.8694
999	3SL	0.8692
1000	IBF	0.8691
1001	GG6	0.8689
1002	UAN	0.8688
1003	1M2	0.8687
1004	BVG	0.8687
1005	X0V	0.8686
1006	12Q	0.8685
1007	7W1	0.8684
1008	OW4	0.8682
1009	XX3	0.8682
1010	8EW	0.8681
1011	MUC	0.8681
1012	DTI	0.8680
1013	K2T	0.8679
1014	EA1	0.8676
1015	PCI	0.8675
1016	EOL	0.8674
1017	SMB	0.8674
1018	MLE	0.8673
1019	AMG	0.8673
1020	D07	0.8672
1021	PRS	0.8670
1022	9X6	0.8670
1023	DSN	0.8668
1024	23B	0.8666
1025	FB2	0.8666
1026	92K	0.8664
1027	SKA	0.8664
1028	PAE	0.8661
1029	HQD	0.8660
1030	MA3	0.8658
1031	VGD	0.8658
1032	ORN	0.8656
1033	MZ0	0.8655
1034	CP	0.8655
1035	M0W	0.8654
1036	I1E	0.8653
1037	AC5	0.8653
1038	MET	0.8651
1039	ODO	0.8647
1040	NQ	0.8647
1041	192	0.8646
1042	1DU	0.8646
1043	ABA	0.8643
1044	3R6	0.8641
1045	23J	0.8640
1046	449	0.8635
1047	MNN	0.8633
1048	JUG	0.8630
1049	HSM	0.8630
1050	F9P	0.8630
1051	FBU	0.8627
1052	LT2	0.8627
1053	TSU	0.8627
1054	XBT	0.8625
1055	HDA	0.8625
1056	HQT	0.8623
1057	57O	0.8623
1058	H62	0.8623
1059	J9T	0.8620
1060	DBB	0.8619
1061	KDF	0.8618
1062	2BG	0.8617
1063	PEP	0.8617
1064	QM1	0.8608
1065	I4B	0.8607
1066	SRO	0.8606
1067	GJS	0.8604
1068	SF6	0.8603
1069	TP5	0.8601
1070	1F1	0.8599
1071	A3B	0.8597
1072	K17	0.8594
1073	SEP	0.8594
1074	2EZ	0.8592
1075	RMN	0.8590
1076	GTL	0.8588
1077	GLN	0.8587
1078	TPA	0.8585
1079	F12	0.8583
1080	5GU	0.8580
1081	2PG	0.8578
1082	C21	0.8576
1083	MEV	0.8573
1084	O2A	0.8573
1085	GV9	0.8571
1086	8GK	0.8570
1087	FUD	0.8569
1088	MJ2	0.8568
1089	CFF	0.8564
1090	SOR	0.8561
1091	44V	0.8559
1092	ICB	0.8556
1093	FSW	0.8551
1094	03W	0.8551
1095	ENL	0.8538
1096	BNF	0.8536
1097	C5J	0.8531
1098	FA3	0.8530
1099	06B	0.8511

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

Pocket No.: 1; Query (leader) PDB : 2CET; Ligand: PGI; 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: 2cet.bio2) has 26 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 2CET; Ligand: PGI; 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: 2cet.bio1) has 29 residues
No:	Leader PDB	Ligand	Sequence Similarity

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