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Showing PDB: 1hww

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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
1hww	1.87 Å	EC: 3.2.1.114	GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH SWAINSONINE	DROSOPHILA MELANOGASTER	N-TERMINAL ALPHA-BETA DOMAIN THREE HELIX BUNDLE 2 C-TERMINBARRELS HYDROLASE
Ref.:	STRUCTURE OF GOLGI ALPHA-MANNOSIDASE II: A TARGET F INHIBITION OF GROWTH AND METASTASIS OF CANCER CELLS EMBO J. V. 20 3008 2001

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
MRD	A:1104;	Invalid;	none;	submit data		118.174	C6 H14 O2	C[C@H...
NAG	A:1101;	Invalid;	none;	submit data		221.208	C8 H15 N O6	CC(=O...
SWA	A:1103;	Valid;	none;	ic50 = 20 nM		173.21	C8 H15 N O3	C1C[C...
ZN	A:1102;	Part of Protein;	none;	submit data		65.409	Zn	[Zn+2...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3EJR	1.27 Å	EC: 3.2.1.114	GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH 5-SUBSTITUED SWAI ANALOG: (5R)-5-[2'-OXO-2'-(4-TERT-BUTYLPHENYL)ETHYL]-SWAINS	DROSOPHILA MELANOGASTER	GH38 GLYCOSIDASE GLYCOSIDASE GOLGI APPARATUS HYDROLASE MMETAL-BINDING SIGNAL-ANCHOR TRANSMEMBRANE
Ref.:	STRUCTURAL INVESTIGATION OF THE BINDING OF 5-SUBSTI SWAINSONINE ANALOGUES TO GOLGI ALPHA-MANNOSIDASE II CHEMBIOCHEM V. 11 673 2010

Members (46)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	2OW7	ic50 = 14 uM	NK2	C8 H15 O2 S	C1CC[S@@+]....
2	3D51	Ki = 70 uM	GOX	C6 H12 N2 O5	C([C@@H]1[....
3	3CV5	-	BMA MAN MAN MAN MAN	n/a	n/a
4	3EJS	ic50 = 250 nM	HN5	C20 H31 N O3	CC(C)(C)c1....
5	3DX0	Ki = 36 nM	MSN	C6 H13 N O3 S	CS[C@@H]1[....
6	2FYV	ic50 = 0.3 mM	W72	C11 H21 N O9	C1[C@H]([C....
7	3BVW	-	YZ0 MAN Z4Y NAG MAN	n/a	n/a
8	3D4Z	Ki = 13 uM	GIM	C8 H13 N2 O4	c1c[n+]2c(....
9	1TQU	ic50 ~ 7.5 mM	GHA	C9 H18 N O9 S	C1C([C@@H]....
10	3DDG	Ki = 1 uM	GB7	C14 H20 N2 O4	CN1[C@@H](....
11	1PS3	Ki = 5.2 mM	KIF	C8 H12 N2 O6	C([C@@H]1[....
12	3DX2	Ki = 150 nM	MZB	C6 H13 N O4 S	C[S@@](=O)....
13	2F7O	Ki = 0.036 uM	MSN	C6 H13 N O3 S	CS[C@@H]1[....
14	3D52	Ki = 520 uM	GHR	C13 H16 Cl N3 O6	c1cc(ccc1N....
15	1TQV	ic50 ~ 7.5 mM	SSE	C9 H18 O9 S Se	C1[C@H]([C....
16	3EJU	ic50 = 250 nM	HN7	C20 H29 N O4	CC(C)(C)c1....
17	1HXK	ic50 = 400 uM	DMJ	C6 H13 N O4	C1[C@H]([C....
18	1TQS	-	SSO	C9 H18 O9 S2	C1[C@H]([C....
19	3CZN	-	NDG BMA MAN MAN NAG MAN MAN	n/a	n/a
20	2OW6	ic50 = 2 mM	NK1	C8 H15 O3 S	C1C[C@@H](....
21	3BUP	-	MAN	C6 H12 O6	C([C@@H]1[....
22	3EJT	ic50 = 44 nM	HN6	C20 H31 N O3	CC(C)(C)c1....
23	3CZS	-	MAN	C6 H12 O6	C([C@@H]1[....
24	3DX1	Ki = 265 uM	YHO	C5 H11 N O3	C1[C@H]([C....
25	2F7P	Ki = 0.249 uM	2SK	C13 H19 N O3 S	CS[C@@H]1[....
26	3EJP	Ki = 2.8 nM	HN2	C16 H21 N O4	c1ccc(cc1)....
27	3BVV	-	YZ0 MAN Z4Y	n/a	n/a
28	2F18	ic50 = 80 uM	GB1	C13 H20 N2 O3	c1ccc(cc1)....
29	3DX4	Ki = 76 nM	GOO	C6 H13 N O4	CO[C@@H]1[....
30	2F1A	ic50 = 720 uM	GB2	C13 H20 N2 O3	c1ccc(cc1)....
31	3D4Y	Ki = 2 uM	MVL	C8 H12 N2 O4	c1cn2c(n1)....
32	3DDF	Ki = 67 uM	GB6	C13 H18 N2 O4	c1ccc(cc1)....
33	1TQT	ic50 ~ 7.5 mM	SSD	C9 H18 O9 S2	C1[C@H]([C....
34	3DX3	Ki = 300 nM	YTB	C5 H11 N O4	C1([C@H]([....
35	3BUQ	-	MAN	C6 H12 O6	C([C@@H]1[....
36	3EJR	Ki = 2.7 nM	HN4	C20 H29 N O4	CC(C)(C)c1....
37	1R34	ic50 = 0.9 mM	LKS	C14 H20 N2 O4 S	[H]/N=C(/C....
38	3BVX	-	YZ0 MAN MAN NAG MAN	n/a	n/a
39	1HWW	ic50 = 20 nM	SWA	C8 H15 N O3	C1C[C@H]([....
40	3EJQ	Ki = 2.7 nM	HN3	C17 H23 N O4	Cc1ccc(cc1....
41	3D50	Ki = 17 uM	OEV	C15 H29 N O4	CCCCCCCCN[....
42	2F1B	ic50 = 1000 uM	GB3	C14 H22 N2 O3	C[C@@H]1[C....
43	1R33	ic50 = 0.07 mM	LKA	C6 H13 N O4 S	C([C@@H]1[....
44	1TQW	ic50 ~ 7.5 mM	BLT	C9 H18 O9 S Se	C1[C@H]([C....
45	3BVT	-	Z4R MAN	n/a	n/a
46	3BVU	-	Z4R MAN MAN	n/a	n/a

70% Homology Family (46)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	2OW7	ic50 = 14 uM	NK2	C8 H15 O2 S	C1CC[S@@+]....
2	3D51	Ki = 70 uM	GOX	C6 H12 N2 O5	C([C@@H]1[....
3	3CV5	-	BMA MAN MAN MAN MAN	n/a	n/a
4	3EJS	ic50 = 250 nM	HN5	C20 H31 N O3	CC(C)(C)c1....
5	3DX0	Ki = 36 nM	MSN	C6 H13 N O3 S	CS[C@@H]1[....
6	2FYV	ic50 = 0.3 mM	W72	C11 H21 N O9	C1[C@H]([C....
7	3BVW	-	YZ0 MAN Z4Y NAG MAN	n/a	n/a
8	3D4Z	Ki = 13 uM	GIM	C8 H13 N2 O4	c1c[n+]2c(....
9	1TQU	ic50 ~ 7.5 mM	GHA	C9 H18 N O9 S	C1C([C@@H]....
10	3DDG	Ki = 1 uM	GB7	C14 H20 N2 O4	CN1[C@@H](....
11	1PS3	Ki = 5.2 mM	KIF	C8 H12 N2 O6	C([C@@H]1[....
12	3DX2	Ki = 150 nM	MZB	C6 H13 N O4 S	C[S@@](=O)....
13	2F7O	Ki = 0.036 uM	MSN	C6 H13 N O3 S	CS[C@@H]1[....
14	3D52	Ki = 520 uM	GHR	C13 H16 Cl N3 O6	c1cc(ccc1N....
15	1TQV	ic50 ~ 7.5 mM	SSE	C9 H18 O9 S Se	C1[C@H]([C....
16	3EJU	ic50 = 250 nM	HN7	C20 H29 N O4	CC(C)(C)c1....
17	1HXK	ic50 = 400 uM	DMJ	C6 H13 N O4	C1[C@H]([C....
18	1TQS	-	SSO	C9 H18 O9 S2	C1[C@H]([C....
19	3CZN	-	NDG BMA MAN MAN NAG MAN MAN	n/a	n/a
20	2OW6	ic50 = 2 mM	NK1	C8 H15 O3 S	C1C[C@@H](....
21	3BUP	-	MAN	C6 H12 O6	C([C@@H]1[....
22	3EJT	ic50 = 44 nM	HN6	C20 H31 N O3	CC(C)(C)c1....
23	3CZS	-	MAN	C6 H12 O6	C([C@@H]1[....
24	3DX1	Ki = 265 uM	YHO	C5 H11 N O3	C1[C@H]([C....
25	2F7P	Ki = 0.249 uM	2SK	C13 H19 N O3 S	CS[C@@H]1[....
26	3EJP	Ki = 2.8 nM	HN2	C16 H21 N O4	c1ccc(cc1)....
27	3BVV	-	YZ0 MAN Z4Y	n/a	n/a
28	2F18	ic50 = 80 uM	GB1	C13 H20 N2 O3	c1ccc(cc1)....
29	3DX4	Ki = 76 nM	GOO	C6 H13 N O4	CO[C@@H]1[....
30	2F1A	ic50 = 720 uM	GB2	C13 H20 N2 O3	c1ccc(cc1)....
31	3D4Y	Ki = 2 uM	MVL	C8 H12 N2 O4	c1cn2c(n1)....
32	3DDF	Ki = 67 uM	GB6	C13 H18 N2 O4	c1ccc(cc1)....
33	1TQT	ic50 ~ 7.5 mM	SSD	C9 H18 O9 S2	C1[C@H]([C....
34	3DX3	Ki = 300 nM	YTB	C5 H11 N O4	C1([C@H]([....
35	3BUQ	-	MAN	C6 H12 O6	C([C@@H]1[....
36	3EJR	Ki = 2.7 nM	HN4	C20 H29 N O4	CC(C)(C)c1....
37	1R34	ic50 = 0.9 mM	LKS	C14 H20 N2 O4 S	[H]/N=C(/C....
38	3BVX	-	YZ0 MAN MAN NAG MAN	n/a	n/a
39	1HWW	ic50 = 20 nM	SWA	C8 H15 N O3	C1C[C@H]([....
40	3EJQ	Ki = 2.7 nM	HN3	C17 H23 N O4	Cc1ccc(cc1....
41	3D50	Ki = 17 uM	OEV	C15 H29 N O4	CCCCCCCCN[....
42	2F1B	ic50 = 1000 uM	GB3	C14 H22 N2 O3	C[C@@H]1[C....
43	1R33	ic50 = 0.07 mM	LKA	C6 H13 N O4 S	C([C@@H]1[....
44	1TQW	ic50 ~ 7.5 mM	BLT	C9 H18 O9 S Se	C1[C@H]([C....
45	3BVT	-	Z4R MAN	n/a	n/a
46	3BVU	-	Z4R MAN MAN	n/a	n/a

50% Homology Family (46)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	2OW7	ic50 = 14 uM	NK2	C8 H15 O2 S	C1CC[S@@+]....
2	3D51	Ki = 70 uM	GOX	C6 H12 N2 O5	C([C@@H]1[....
3	3CV5	-	BMA MAN MAN MAN MAN	n/a	n/a
4	3EJS	ic50 = 250 nM	HN5	C20 H31 N O3	CC(C)(C)c1....
5	3DX0	Ki = 36 nM	MSN	C6 H13 N O3 S	CS[C@@H]1[....
6	2FYV	ic50 = 0.3 mM	W72	C11 H21 N O9	C1[C@H]([C....
7	3BVW	-	YZ0 MAN Z4Y NAG MAN	n/a	n/a
8	3D4Z	Ki = 13 uM	GIM	C8 H13 N2 O4	c1c[n+]2c(....
9	1TQU	ic50 ~ 7.5 mM	GHA	C9 H18 N O9 S	C1C([C@@H]....
10	3DDG	Ki = 1 uM	GB7	C14 H20 N2 O4	CN1[C@@H](....
11	1PS3	Ki = 5.2 mM	KIF	C8 H12 N2 O6	C([C@@H]1[....
12	3DX2	Ki = 150 nM	MZB	C6 H13 N O4 S	C[S@@](=O)....
13	2F7O	Ki = 0.036 uM	MSN	C6 H13 N O3 S	CS[C@@H]1[....
14	3D52	Ki = 520 uM	GHR	C13 H16 Cl N3 O6	c1cc(ccc1N....
15	1TQV	ic50 ~ 7.5 mM	SSE	C9 H18 O9 S Se	C1[C@H]([C....
16	3EJU	ic50 = 250 nM	HN7	C20 H29 N O4	CC(C)(C)c1....
17	1HXK	ic50 = 400 uM	DMJ	C6 H13 N O4	C1[C@H]([C....
18	1TQS	-	SSO	C9 H18 O9 S2	C1[C@H]([C....
19	3CZN	-	NDG BMA MAN MAN NAG MAN MAN	n/a	n/a
20	2OW6	ic50 = 2 mM	NK1	C8 H15 O3 S	C1C[C@@H](....
21	3BUP	-	MAN	C6 H12 O6	C([C@@H]1[....
22	3EJT	ic50 = 44 nM	HN6	C20 H31 N O3	CC(C)(C)c1....
23	3CZS	-	MAN	C6 H12 O6	C([C@@H]1[....
24	3DX1	Ki = 265 uM	YHO	C5 H11 N O3	C1[C@H]([C....
25	2F7P	Ki = 0.249 uM	2SK	C13 H19 N O3 S	CS[C@@H]1[....
26	3EJP	Ki = 2.8 nM	HN2	C16 H21 N O4	c1ccc(cc1)....
27	3BVV	-	YZ0 MAN Z4Y	n/a	n/a
28	2F18	ic50 = 80 uM	GB1	C13 H20 N2 O3	c1ccc(cc1)....
29	3DX4	Ki = 76 nM	GOO	C6 H13 N O4	CO[C@@H]1[....
30	2F1A	ic50 = 720 uM	GB2	C13 H20 N2 O3	c1ccc(cc1)....
31	3D4Y	Ki = 2 uM	MVL	C8 H12 N2 O4	c1cn2c(n1)....
32	3DDF	Ki = 67 uM	GB6	C13 H18 N2 O4	c1ccc(cc1)....
33	1TQT	ic50 ~ 7.5 mM	SSD	C9 H18 O9 S2	C1[C@H]([C....
34	3DX3	Ki = 300 nM	YTB	C5 H11 N O4	C1([C@H]([....
35	3BUQ	-	MAN	C6 H12 O6	C([C@@H]1[....
36	3EJR	Ki = 2.7 nM	HN4	C20 H29 N O4	CC(C)(C)c1....
37	1R34	ic50 = 0.9 mM	LKS	C14 H20 N2 O4 S	[H]/N=C(/C....
38	3BVX	-	YZ0 MAN MAN NAG MAN	n/a	n/a
39	1HWW	ic50 = 20 nM	SWA	C8 H15 N O3	C1C[C@H]([....
40	3EJQ	Ki = 2.7 nM	HN3	C17 H23 N O4	Cc1ccc(cc1....
41	3D50	Ki = 17 uM	OEV	C15 H29 N O4	CCCCCCCCN[....
42	2F1B	ic50 = 1000 uM	GB3	C14 H22 N2 O3	C[C@@H]1[C....
43	1R33	ic50 = 0.07 mM	LKA	C6 H13 N O4 S	C([C@@H]1[....
44	1TQW	ic50 ~ 7.5 mM	BLT	C9 H18 O9 S Se	C1[C@H]([C....
45	3BVT	-	Z4R MAN	n/a	n/a
46	3BVU	-	Z4R MAN MAN	n/a	n/a

Polypharmacology

Similar Ligands (2D)

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

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	SWA	1	1
2	CTS	0.487179	0.977778

Similar Ligands (3D)

Ligand no: 1; Ligand: SWA; Similar ligands found: 1141

No:	Ligand	Similarity coefficient
1	Q88	0.9730
2	1LQ	0.9642
3	A7W	0.9641
4	URC	0.9616
5	GLC	0.9611
6	5IQ	0.9610
7	5SG	0.9593
8	1SQ	0.9593
9	1NP	0.9593
10	O72	0.9574
11	HQY	0.9567
12	5Q0	0.9567
13	3WA	0.9566
14	1LM	0.9564
15	ES0	0.9563
16	4YS	0.9562
17	JPZ	0.9562
18	JBH	0.9561
19	ES1	0.9560
20	N5J	0.9554
21	0P6	0.9549
22	HLZ	0.9542
23	24W	0.9541
24	DIN	0.9539
25	BGC	0.9531
26	3Z8	0.9526
27	CWM	0.9524
28	5QX	0.9523
29	4XH	0.9518
30	8TX	0.9516
31	MRW	0.9503
32	HH8	0.9494
33	BTE	0.9476
34	5NU	0.9466
35	JBQ	0.9457
36	HPA	0.9456
37	G2F	0.9440
38	495	0.9436
39	ASO	0.9434
40	XM0	0.9431
41	VNL	0.9430
42	HQT	0.9428
43	SAL	0.9428
44	2D0	0.9421
45	GXL	0.9419
46	TTL	0.9417
47	4HC	0.9414
48	GIV	0.9412
49	FUL	0.9410
50	5CU	0.9409
51	NOJ	0.9408
52	5WV	0.9406
53	NOY	0.9404
54	ADE	0.9403
55	ISN	0.9400
56	7HP	0.9398
57	KKN	0.9395
58	XAN	0.9394
59	8WT	0.9391
60	AZ8	0.9390
61	DFU	0.9389
62	SVN	0.9388
63	Q24	0.9387
64	RIP	0.9387
65	9DG	0.9387
66	M6N	0.9381
67	M0Q	0.9380
68	LCN	0.9379
69	10L	0.9377
70	7VS	0.9376
71	5WX	0.9375
72	VK3	0.9373
73	APZ	0.9372
74	M5K	0.9371
75	GUN	0.9371
76	I3A	0.9367
77	FA0	0.9366
78	ES7	0.9364
79	NDH	0.9364
80	AJ2	0.9363
81	R8V	0.9360
82	PE0	0.9360
83	PXL	0.9357
84	7W1	0.9356
85	GTQ	0.9352
86	67N	0.9350
87	DOB	0.9347
88	SHG	0.9347
89	64K	0.9347
90	7WA	0.9346
91	SHA	0.9346
92	MFB	0.9345
93	BHA	0.9344
94	MEW	0.9343
95	7W4	0.9343
96	AQO	0.9343
97	HZQ	0.9342
98	GAL	0.9339
99	4M0	0.9338
100	F05	0.9335
101	7B4	0.9334
102	92K	0.9333
103	DBJ	0.9333
104	B62	0.9332
105	1XN	0.9328
106	IJZ	0.9327
107	G5V	0.9325
108	9DA	0.9324
109	MNM	0.9324
110	MT0	0.9323
111	GLT	0.9322
112	IFL	0.9321
113	3U4	0.9321
114	9HX	0.9320
115	03V	0.9320
116	3IT	0.9320
117	ES4	0.9319
118	ES6	0.9319
119	5RG	0.9319
120	KJH	0.9314
121	EQT	0.9313
122	12Q	0.9312
123	KUF	0.9310
124	KT7	0.9310
125	GCS	0.9309
126	8CM	0.9309
127	CWS	0.9309
128	BDP	0.9309
129	M1H	0.9305
130	23A	0.9304
131	M1A	0.9303
132	75K	0.9302
133	AZA	0.9301
134	GLF	0.9301
135	DHQ	0.9300
136	6MP	0.9296
137	AZ9	0.9296
138	PA1	0.9296
139	B57	0.9296
140	6F0	0.9296
141	KBG	0.9295
142	LGC	0.9294
143	3HA	0.9294
144	F0J	0.9293
145	270	0.9289
146	FUC	0.9289
147	6M1	0.9289
148	H42	0.9288
149	HQD	0.9288
150	BE2	0.9286
151	4NC	0.9286
152	1WD	0.9285
153	54G	0.9283
154	IFM	0.9282
155	AX7	0.9279
156	PM6	0.9277
157	MAN	0.9277
158	QUZ	0.9275
159	LXC	0.9274
160	GRE	0.9273
161	173	0.9273
162	LSA	0.9272
163	PFB	0.9270
164	NPY	0.9269
165	COU	0.9269
166	5JQ	0.9268
167	BTY	0.9266
168	2CK	0.9266
169	82I	0.9265
170	GCB	0.9265
171	FOT	0.9265
172	2TQ	0.9264
173	G3F	0.9261
174	4FS	0.9261
175	PXM	0.9261
176	PZI	0.9261
177	HH5	0.9260
178	XAZ	0.9258
179	BZX	0.9257
180	ABV	0.9254
181	B55	0.9254
182	FBT	0.9254
183	GDE	0.9252
184	6M9	0.9251
185	INS	0.9251
186	DBH	0.9250
187	7HQ	0.9249
188	A2F	0.9247
189	0N7	0.9247
190	OCH	0.9245
191	IV2	0.9242
192	4RW	0.9242
193	XYP	0.9242
194	6M4	0.9241
195	23J	0.9241
196	NIZ	0.9240
197	M1E	0.9240
198	ES5	0.9239
199	IGA	0.9239
200	CTL	0.9238
201	2AQ	0.9238
202	4SV	0.9236
203	ORO	0.9236
204	DHK	0.9235
205	XYS	0.9235
206	AFR	0.9233
207	UEG	0.9231
208	5M0	0.9231
209	V55	0.9231
210	CN0	0.9228
211	JB5	0.9228
212	1P8	0.9228
213	JKE	0.9225
214	2MI	0.9224
215	BHO	0.9224
216	FB1	0.9224
217	7WV	0.9223
218	G4D	0.9223
219	HMH	0.9223
220	QX4	0.9222
221	J9Q	0.9222
222	32X	0.9220
223	BP1	0.9220
224	5JL	0.9215
225	ZXD	0.9215
226	7ME	0.9215
227	3M0	0.9215
228	XIY	0.9215
229	DQU	0.9215
230	141	0.9214
231	6AP	0.9214
232	9EW	0.9214
233	OXZ	0.9214
234	3MG	0.9212
235	JND	0.9212
236	M0W	0.9211
237	Q6T	0.9211
238	ES2	0.9209
239	I1N	0.9208
240	YSO	0.9208
241	FUF	0.9207
242	ASC	0.9205
243	P92	0.9204
244	3F0	0.9204
245	CFP	0.9202
246	MO8	0.9202
247	SXS	0.9202
248	DRL	0.9201
249	EVA	0.9201
250	SKA	0.9201
251	SOE	0.9201
252	XQ0	0.9197
253	YH7	0.9197
254	IPB	0.9197
255	UNC	0.9197
256	TH7	0.9196
257	BEA	0.9193
258	94B	0.9193
259	R9Y	0.9192
260	290	0.9192
261	GCU	0.9191
262	DX4	0.9190
263	329	0.9190
264	2AL	0.9190
265	ADZ	0.9188
266	9MG	0.9188
267	97T	0.9188
268	SYV	0.9186
269	3FH	0.9186
270	FYU	0.9181
271	7NI	0.9179
272	KJY	0.9178
273	D1X	0.9177
274	HMU	0.9176
275	HLR	0.9176
276	HJP	0.9175
277	MYJ	0.9175
278	15L	0.9173
279	MUA	0.9172
280	RAT	0.9171
281	3RK	0.9169
282	XXR	0.9169
283	OXC	0.9169
284	M1Q	0.9167
285	4JT	0.9167
286	NTM	0.9166
287	PRZ	0.9165
288	9TZ	0.9164
289	EA1	0.9162
290	BMA	0.9162
291	7ZE	0.9161
292	1M2	0.9161
293	5RN	0.9160
294	4MU	0.9159
295	8IG	0.9159
296	44V	0.9159
297	0W8	0.9158
298	DMJ	0.9157
299	5QY	0.9156
300	A13	0.9156
301	MWP	0.9155
302	ISZ	0.9155
303	TLA	0.9154
304	1PT	0.9152
305	3NT	0.9152
306	GJS	0.9151
307	CLZ	0.9150
308	XUL	0.9150
309	BCP	0.9149
310	93K	0.9149
311	2FG	0.9148
312	GAB	0.9147
313	AZG	0.9146
314	GOO	0.9146
315	C2U	0.9146
316	DHB	0.9146
317	ARB	0.9146
318	B60	0.9144
319	K5W	0.9144
320	VNJ	0.9143
321	4AA	0.9140
322	5WY	0.9140
323	DOR	0.9140
324	3ID	0.9139
325	GM7	0.9139
326	WOO	0.9138
327	P9P	0.9138
328	LT2	0.9137
329	TEP	0.9136
330	MAQ	0.9134
331	FBV	0.9134
332	T6C	0.9134
333	AHR	0.9133
334	G6D	0.9130
335	DEE	0.9129
336	DMD	0.9129
337	0RW	0.9129
338	4JQ	0.9129
339	JZ9	0.9128
340	FHN	0.9127
341	6CS	0.9127
342	1P7	0.9126
343	MT5	0.9126
344	FDB	0.9125
345	IDM	0.9125
346	KJU	0.9125
347	INO	0.9125
348	PYQ	0.9124
349	AKH	0.9124
350	2ZV	0.9122
351	KLW	0.9122
352	5RO	0.9122
353	KOJ	0.9120
354	9TW	0.9120
355	NQ	0.9118
356	X09	0.9117
357	GCV	0.9117
358	HIO	0.9115
359	ET2	0.9115
360	42C	0.9114
361	JBE	0.9112
362	3Z7	0.9112
363	SMN	0.9109
364	Z5P	0.9109
365	39A	0.9108
366	3PF	0.9108
367	8WO	0.9108
368	FH2	0.9107
369	SF9	0.9105
370	XX2	0.9104
371	86J	0.9103
372	SJ5	0.9103
373	7MH	0.9103
374	149	0.9098
375	ZB1	0.9097
376	E7Z	0.9097
377	SEJ	0.9097
378	B53	0.9096
379	FE DB1	0.9096
380	URF	0.9096
381	L3Q	0.9095
382	BOA	0.9095
383	4PW	0.9095
384	2HO	0.9095
385	ISE	0.9095
386	12M	0.9094
387	5GU	0.9094
388	OHP	0.9094
389	0FO	0.9092
390	1XM	0.9092
391	PRF	0.9091
392	12B	0.9090
393	NDM	0.9090
394	SOR	0.9089
395	2HQ	0.9088
396	25W	0.9088
397	JAE	0.9087
398	NCT	0.9087
399	RHU	0.9087
400	FP1	0.9086
401	7B3	0.9086
402	ABE	0.9085
403	6ME	0.9084
404	QAT	0.9083
405	PHT	0.9082
406	0CU	0.9082
407	293	0.9082
408	MS9	0.9081
409	0MK	0.9080
410	IHB	0.9080
411	GIO	0.9079
412	FDK	0.9079
413	JIF	0.9077
414	IFP	0.9077
415	2A9	0.9076
416	HFB	0.9076
417	2ZQ	0.9076
418	XLS	0.9075
419	ICO	0.9074
420	2XX	0.9072
421	RXA	0.9071
422	CFF	0.9071
423	BZI	0.9070
424	ZZT	0.9070
425	DIU	0.9070
426	NPO	0.9069
427	8S0	0.9068
428	6GU	0.9068
429	GAF	0.9068
430	IND	0.9066
431	DEN	0.9066
432	HHA	0.9066
433	95Z	0.9066
434	1XA	0.9066
435	2FY	0.9065
436	261	0.9065
437	2AK	0.9064
438	GZ8	0.9064
439	1GN	0.9064
440	EUG	0.9063
441	GLA	0.9063
442	OA3	0.9063
443	7VJ	0.9062
444	DPZ	0.9062
445	4M4	0.9062
446	KYD	0.9061
447	JUG	0.9060
448	VGD	0.9059
449	5MK	0.9059
450	VOH	0.9059
451	KIB	0.9059
452	CLW	0.9058
453	DGJ	0.9058
454	IF7	0.9058
455	BEN	0.9058
456	X6X	0.9057
457	24B	0.9056
458	GTZ	0.9056
459	BCF	0.9055
460	MBG	0.9053
461	DQN	0.9052
462	3CU	0.9051
463	XQG	0.9051
464	RM1	0.9051
465	WBU	0.9051
466	5H1	0.9050
467	3DO	0.9049
468	4XR	0.9049
469	6AI	0.9048
470	8ZE	0.9048
471	XHP	0.9047
472	9PY	0.9047
473	CHB	0.9047
474	AZF	0.9046
475	14O	0.9045
476	TTY	0.9045
477	2BG	0.9045
478	717	0.9044
479	JZ3	0.9044
480	ADK	0.9043
481	FBB	0.9043
482	9RW	0.9043
483	3HB	0.9043
484	UFV	0.9043
485	OTW	0.9042
486	2CL	0.9042
487	CFI	0.9042
488	JBK	0.9041
489	GLY PRO	0.9041
490	G1O	0.9040
491	2LP	0.9039
492	4XV	0.9039
493	BBF	0.9038
494	BCU	0.9038
495	4YO	0.9038
496	ESI	0.9036
497	36R	0.9035
498	4HM	0.9035
499	RNS	0.9034
500	FA3	0.9034
501	ARA	0.9033
502	LYL	0.9031
503	3SK	0.9031
504	EXO	0.9030
505	HXX	0.9030
506	PHB	0.9030
507	N8Y	0.9029
508	MVN	0.9029
509	8XQ	0.9029
510	5DI	0.9028
511	TOF	0.9027
512	F60	0.9027
513	2K4	0.9027
514	BEZ	0.9027
515	DBX	0.9026
516	BZF	0.9024
517	MPI	0.9024
518	NGO	0.9023
519	RPQ	0.9023
520	MZB	0.9023
521	9FL	0.9022
522	GVH	0.9021
523	SWD	0.9020
524	M2K	0.9020
525	4ME	0.9019
526	6PC	0.9019
527	BZ3	0.9019
528	ZWZ	0.9018
529	QIC	0.9018
530	BDF	0.9017
531	K2T	0.9017
532	5OB	0.9017
533	DIG	0.9016
534	FPK	0.9015
535	LZ1	0.9014
536	3OC	0.9013
537	YCP	0.9013
538	44W	0.9012
539	HNQ	0.9012
540	SE2	0.9012
541	3XX	0.9012
542	NBZ	0.9011
543	LZM	0.9010
544	948	0.9010
545	MSN	0.9009
546	1DW	0.9008
547	5MI	0.9008
548	GTR	0.9008
549	5MB	0.9007
550	IBF	0.9007
551	DIE	0.9007
552	INE	0.9007
553	PBA	0.9005
554	BAM	0.9004
555	5B1	0.9003
556	QWN	0.9002
557	SX1	0.9002
558	9KT	0.9001
559	42A	0.9001
560	J9W	0.9000
561	QAS	0.8999
562	RMN	0.8999
563	0R1	0.8998
564	5VM	0.8998
565	R9S	0.8998
566	QSH	0.8998
567	HX3	0.8997
568	XBZ	0.8995
569	G3E	0.8995
570	F3B	0.8995
571	TBP	0.8995
572	1WC	0.8994
573	PX7	0.8993
574	FA1	0.8993
575	8H8	0.8991
576	AW5	0.8991
577	2H5	0.8991
578	53C	0.8991
579	PAB	0.8991
580	Q7A	0.8990
581	QX2	0.8989
582	2MN	0.8988
583	4CS	0.8988
584	SKM	0.8987
585	KFH	0.8987
586	GZL	0.8986
587	QWW	0.8986
588	NNO	0.8985
589	X0V	0.8985
590	NCA	0.8985
591	NIO	0.8985
592	NSP	0.8984
593	RAM	0.8984
594	4A3	0.8983
595	TM7	0.8982
596	N7P	0.8982
597	680	0.8982
598	D48	0.8981
599	HQJ	0.8981
600	UFO	0.8980
601	FCB	0.8980
602	FBM	0.8978
603	GAG	0.8978
604	GT0	0.8976
605	4JP	0.8976
606	J5I	0.8976
607	0FN	0.8976
608	PCI	0.8974
609	ENL	0.8974
610	EKZ	0.8974
611	2PG	0.8974
612	P3K	0.8973
613	DFB	0.8972
614	51R	0.8972
615	NID	0.8970
616	NK2	0.8970
617	GBD	0.8969
618	FHB	0.8968
619	2EC	0.8968
620	ADA	0.8968
621	LI6	0.8967
622	7D2	0.8966
623	FAN	0.8966
624	0CT	0.8965
625	PBZ	0.8964
626	YIO	0.8960
627	2YU	0.8960
628	6RQ	0.8960
629	NTZ	0.8960
630	6VD	0.8959
631	DNF	0.8959
632	AJV	0.8959
633	DQA	0.8959
634	GVG	0.8959
635	60P	0.8958
636	PZA	0.8958
637	3DM	0.8957
638	RM4	0.8956
639	275	0.8955
640	2MP	0.8955
641	MR1	0.8955
642	34D	0.8954
643	3HM	0.8954
644	ALL	0.8954
645	11S	0.8954
646	RSF	0.8954
647	5XC	0.8953
648	34A	0.8952
649	4ZE	0.8952
650	D07	0.8951
651	MWM	0.8950
652	SRT	0.8950
653	MRZ	0.8950
654	QBK	0.8950
655	0HO	0.8947
656	OVV	0.8946
657	BZ2	0.8945
658	LDP	0.8944
659	RB5	0.8942
660	JTH	0.8941
661	JLZ	0.8940
662	GCW	0.8940
663	4P5	0.8939
664	QXW	0.8936
665	ES9	0.8936
666	209	0.8935
667	4XS	0.8935
668	GYE	0.8935
669	A29	0.8934
670	AEZ	0.8934
671	2AC	0.8933
672	JA8	0.8933
673	1P3	0.8933
674	06B	0.8932
675	OAA	0.8932
676	BNT	0.8931
677	XYD	0.8930
678	0JD	0.8930
679	N2I	0.8930
680	0F9	0.8930
681	BK9	0.8927
682	HT4	0.8926
683	FLV	0.8926
684	4HO	0.8924
685	ZBT	0.8924
686	8NX	0.8924
687	MCT	0.8923
688	R8A	0.8921
689	HBA	0.8921
690	NK	0.8920
691	8W9	0.8920
692	FRU	0.8920
693	B0D	0.8920
694	NMJ	0.8920
695	MQN	0.8919
696	1U6	0.8919
697	TDR	0.8918
698	UAN	0.8918
699	UNU	0.8918
700	3MA	0.8917
701	4Z4	0.8917
702	4JJ	0.8917
703	ICP	0.8917
704	S76	0.8917
705	TIU	0.8916
706	AMG	0.8916
707	L99	0.8916
708	YQA	0.8915
709	FGZ	0.8915
710	TH0	0.8915
711	7N0	0.8913
712	MXN	0.8913
713	PHU	0.8913
714	0HN	0.8913
715	37T	0.8912
716	5HN	0.8912
717	PYD	0.8912
718	ICB	0.8912
719	1MC	0.8911
720	X05	0.8910
721	ALA PRO	0.8908
722	2ZM	0.8908
723	BSX	0.8907
724	LMR	0.8907
725	Z82	0.8907
726	MMA	0.8906
727	H4N	0.8904
728	3NY	0.8904
729	H33	0.8901
730	H62	0.8900
731	5JC	0.8899
732	4CL	0.8899
733	43M	0.8899
734	289	0.8899
735	JFJ	0.8898
736	URQ	0.8898
737	K17	0.8898
738	M58	0.8898
739	K32	0.8897
740	OXQ	0.8896
741	1WG	0.8895
742	F5B	0.8895
743	XBT	0.8891
744	PYG	0.8891
745	1LN	0.8890
746	0TU	0.8889
747	GIM	0.8889
748	A1U	0.8888
749	F9P	0.8888
750	B5D	0.8887
751	ARW	0.8887
752	QPR	0.8886
753	8NY	0.8886
754	6NT	0.8886
755	AC6	0.8885
756	3R6	0.8884
757	JZ2	0.8883
758	PBC	0.8883
759	H7Y	0.8881
760	ODO	0.8881
761	FK1	0.8880
762	5UC	0.8879
763	JFD	0.8879
764	SYA	0.8878
765	PHH	0.8876
766	1KP	0.8875
767	FDR	0.8875
768	PBE	0.8874
769	T9G	0.8874
770	EYK	0.8873
771	BR9	0.8873
772	HY1	0.8873
773	IP0	0.8873
774	ZZ3	0.8873
775	3BZ	0.8871
776	D3M	0.8870
777	GLO	0.8870
778	3AB	0.8869
779	2FQ	0.8869
780	TWO	0.8869
781	MWJ	0.8868
782	EV0	0.8868
783	KIF	0.8867
784	O2A	0.8867
785	AIN	0.8866
786	6LW	0.8865
787	PQ0	0.8865
788	FBU	0.8864
789	TLD	0.8863
790	0TR	0.8862
791	ZVO	0.8861
792	FCA	0.8861
793	39O	0.8860
794	9KH	0.8859
795	8GC	0.8858
796	KIA	0.8858
797	GXY	0.8857
798	EJZ	0.8856
799	6KX	0.8856
800	GYP	0.8856
801	DS0	0.8855
802	4TU	0.8855
803	ZYR	0.8854
804	3A9	0.8854
805	APG	0.8853
806	27Y	0.8852
807	M3H	0.8851
808	YTB	0.8851
809	FCR	0.8851
810	2A7	0.8850
811	ONR	0.8850
812	QSC	0.8849
813	TGX	0.8848
814	XXP	0.8847
815	MNN	0.8846
816	GOG	0.8845
817	LKA	0.8845
818	TBS	0.8844
819	L5V	0.8844
820	ROI	0.8842
821	35C	0.8842
822	KTW	0.8842
823	1DJ	0.8841
824	PH2	0.8840
825	069	0.8840
826	7WR	0.8839
827	5AC	0.8838
828	LNR	0.8838
829	TVP	0.8837
830	1F1	0.8836
831	HDH	0.8835
832	M4T	0.8835
833	PMB	0.8835
834	6NI	0.8835
835	9R5	0.8832
836	4SX	0.8832
837	57O	0.8832
838	CGB	0.8832
839	ABI	0.8831
840	KBB	0.8828
841	F12	0.8828
842	PAC	0.8827
843	92P	0.8825
844	Q71	0.8825
845	HHR	0.8824
846	F31	0.8823
847	150	0.8822
848	GLU	0.8822
849	K3Q	0.8821
850	6FZ	0.8821
851	WCE	0.8820
852	3SL	0.8820
853	DHS	0.8820
854	NTN	0.8820
855	SEP	0.8819
856	H76	0.8819
857	AS3	0.8816
858	286	0.8816
859	P72	0.8816
860	4MA	0.8816
861	4FH	0.8815
862	2CQ	0.8814
863	RIB	0.8814
864	GLL	0.8813
865	PDC	0.8812
866	QY9	0.8811
867	PAF	0.8811
868	I6G	0.8810
869	226	0.8810
870	KGK	0.8809
871	PHE	0.8809
872	HA5	0.8808
873	4JO	0.8808
874	3MB	0.8807
875	XCZ	0.8806
876	7CZ	0.8805
877	Y8I	0.8805
878	45L	0.8805
879	0W1	0.8805
880	TSS	0.8804
881	F1A	0.8804
882	28N	0.8804
883	N2Z	0.8803
884	NGT	0.8802
885	RSO	0.8802
886	LRH	0.8801
887	5VL	0.8801
888	CH9	0.8801
889	L7T	0.8800
890	PCA	0.8800
891	OVM	0.8799
892	GV9	0.8799
893	K34	0.8799
894	8EZ	0.8797
895	PQK	0.8797
896	XSP	0.8797
897	TFU	0.8796
898	TAR	0.8795
899	R8S	0.8794
900	KYA	0.8794
901	EXD	0.8794
902	MVL	0.8792
903	5MH	0.8791
904	F81	0.8791
905	1U1	0.8789
906	HBD	0.8789
907	9CA	0.8787
908	6UA	0.8785
909	39U	0.8783
910	MA3	0.8783
911	4ZC	0.8782
912	9RH	0.8782
913	K22	0.8781
914	4VP	0.8781
915	EDR	0.8780
916	MFU	0.8780
917	J9T	0.8779
918	SNE	0.8778
919	HA7	0.8778
920	RUU	0.8777
921	OMD	0.8777
922	3MC	0.8775
923	PEY	0.8774
924	8OZ	0.8774
925	SS1	0.8774
926	DNC	0.8774
927	HQ9	0.8773
928	4VY	0.8773
929	0R0	0.8773
930	DUB	0.8772
931	42J	0.8772
932	6HQ	0.8772
933	X8D	0.8771
934	GOX	0.8770
935	G12	0.8768
936	1AL	0.8767
937	1Y6	0.8766
938	45C	0.8763
939	JXN	0.8761
940	7MU	0.8761
941	FA6	0.8761
942	2LY	0.8759
943	52C	0.8759
944	IDH	0.8759
945	FLC	0.8759
946	EMZ	0.8758
947	GIF	0.8758
948	HY3	0.8758
949	IUR	0.8757
950	F9Y	0.8757
951	MJ2	0.8756
952	EOL	0.8754
953	HTP	0.8754
954	HIS	0.8754
955	5FN	0.8753
956	VXX	0.8753
957	PNZ	0.8753
958	2KA	0.8750
959	826	0.8750
960	JKZ	0.8750
961	UQ	0.8749
962	4NG	0.8746
963	JAW	0.8746
964	FLM	0.8745
965	15N	0.8743
966	0LH	0.8742
967	260	0.8742
968	QSB	0.8742
969	AGK	0.8740
970	H6B	0.8740
971	NVU	0.8739
972	E3D	0.8739
973	TSU	0.8739
974	1IT	0.8738
975	4TE	0.8734
976	AC0	0.8732
977	SFU	0.8732
978	3V4	0.8732
979	XXG	0.8731
980	2DR	0.8731
981	4ZA	0.8731
982	SLC	0.8730
983	ZZ8	0.8730
984	5CL	0.8730
985	J6W	0.8730
986	HKD	0.8729
987	A09	0.8728
988	4P0	0.8726
989	MBD	0.8726
990	E7S	0.8726
991	54D	0.8725
992	KDV	0.8724
993	FB2	0.8723
994	VGL	0.8721
995	5NI	0.8721
996	C2Y	0.8720
997	PEP	0.8720
998	HBO	0.8719
999	SVD	0.8719
1000	7MK	0.8717
1001	FSW	0.8717
1002	GJZ	0.8716
1003	SRO	0.8715
1004	JG8	0.8714
1005	OEM	0.8711
1006	CXF	0.8710
1007	PEZ	0.8710
1008	4WL	0.8709
1009	15E	0.8708
1010	EN1	0.8707
1011	BPU	0.8704
1012	NGW	0.8703
1013	JXZ	0.8703
1014	SAN	0.8702
1015	IT2	0.8700
1016	KPL	0.8700
1017	GJP	0.8698
1018	IPZ	0.8697
1019	GBN	0.8696
1020	NHG	0.8695
1021	BRT	0.8694
1022	MHK	0.8692
1023	PPY	0.8692
1024	1X7	0.8692
1025	TAG	0.8690
1026	C2A	0.8688
1027	4RU	0.8687
1028	3BU	0.8687
1029	QMP	0.8683
1030	JZ4	0.8683
1031	X0W	0.8683
1032	CIP	0.8682
1033	5WU	0.8680
1034	14J	0.8680
1035	4FA	0.8677
1036	JZ1	0.8676
1037	HDL	0.8676
1038	GSY	0.8675
1039	3R9	0.8675
1040	GLN	0.8675
1041	CWJ	0.8674
1042	PRY	0.8671
1043	V6F	0.8671
1044	MLT	0.8671
1045	DX3	0.8670
1046	AX3	0.8670
1047	E5X	0.8667
1048	JVN	0.8666
1049	8GK	0.8663
1050	FBW	0.8662
1051	MZG	0.8660
1052	PJW	0.8660
1053	SYN	0.8658
1054	ZZZ	0.8657
1055	FQI	0.8656
1056	AUD	0.8655
1057	0FK	0.8654
1058	282	0.8654
1059	Q02	0.8652
1060	YHO	0.8652
1061	3C7	0.8649
1062	LFR	0.8649
1063	2GS	0.8648
1064	CRN	0.8648
1065	IOM	0.8648
1066	1A7	0.8648
1067	JYB	0.8647
1068	L13	0.8646
1069	K7M	0.8645
1070	3TJ	0.8644
1071	DNA	0.8643
1072	2MY	0.8642
1073	1AB	0.8640
1074	KTA	0.8640
1075	3FA	0.8639
1076	DHY	0.8638
1077	FBA	0.8638
1078	PRO	0.8635
1079	E35	0.8634
1080	68A	0.8634
1081	JU2	0.8631
1082	3C1	0.8630
1083	9ZE	0.8630
1084	CFA	0.8629
1085	JXW	0.8629
1086	PEL	0.8628
1087	9FE	0.8627
1088	ASN	0.8626
1089	OW4	0.8626
1090	IUP	0.8625
1091	HHH	0.8624
1092	I4B	0.8623
1093	94W	0.8622
1094	FUB	0.8617
1095	GLY CYS	0.8615
1096	PIM	0.8615
1097	1XX	0.8613
1098	OK7	0.8610
1099	AH8	0.8609
1100	XQI	0.8609
1101	4JL	0.8607
1102	0OC	0.8604
1103	APS	0.8603
1104	CIT	0.8603
1105	2C2	0.8601
1106	K2P	0.8600
1107	GTL	0.8599
1108	6XI	0.8597
1109	P84	0.8596
1110	KDF	0.8594
1111	GMN	0.8592
1112	TPA	0.8592
1113	BPN	0.8591
1114	PEA	0.8589
1115	SYG	0.8586
1116	CBF	0.8585
1117	SQ4	0.8583
1118	4BZ	0.8583
1119	3C2	0.8580
1120	SW7	0.8579
1121	FPY	0.8571
1122	PZM	0.8567
1123	H5B	0.8565
1124	NEQ	0.8565
1125	0XT	0.8565
1126	NAG	0.8564
1127	AAS	0.8562
1128	WOT	0.8560
1129	MAK	0.8558
1130	LDU	0.8556
1131	OVP	0.8555
1132	Q77	0.8554
1133	FFP	0.8550
1134	67X	0.8549
1135	60Q	0.8549
1136	REL	0.8546
1137	HFA	0.8545
1138	7FF	0.8542
1139	4NM	0.8536
1140	1MR	0.8533
1141	JF2	0.8531

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

Pocket No.: 1; Query (leader) PDB : 3EJR; Ligand: HN4; 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: 3ejr.bio1) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity

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