Binding MOAD - The Mother of All Databases

Navigate: Expand All | Collapse All; Receptor | Ligand | View in 3D; Family: 90% | 70% | 50% | site
External Links: |
Download: Structure Biounit | Ligand Information; PDB : .ZIP | .CSV; Family 90% : .ZIP | .CSV; Class : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3HJ8	2.4 Å	EC: 1.13.11.1	CRYSTAL STRUCTURE DETERMINATION OF CATECHOL 1,2-DIOXYGENASE RHODOCOCCUS OPACUS 1CP IN COMPLEX WITH 4-CHLOROCATECHOL	RHODOCOCCUS OPACUS	BETA-SANDWICH OXIDOREDUCTASE AROMATIC HYDROCARBONS CATABOLDIOXYGENASE IRON METAL-BINDING
Ref.:	CATECHOL 1,2-DIOXYGENASE FROM THE GRAM-POSITIVE RHO OPACUS 1CP: QUANTITATIVE STRUCTURE/ACTIVITY RELATIO THE CRYSTAL STRUCTURES OF NATIVE ENZYME AND CATECHO ADDUCTS J.STRUCT.BIOL. V. 170 548 2010

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
4CL	A:282;	Valid;	none;	Ki = 1.5 uM	144.556	C6 H5 Cl O2	c1cc(...
6PL	A:283;	Valid;	none;	submit data	763.1	C42 H85 N O8 P	CCCCC...
FE	A:281;	Part of Protein;	none;	submit data	55.845	Fe	[Fe+3...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3I51	1.8 Å	EC: 1.13.11.1	CRYSTAL STRUCTURE DETERMINATION OF CATECHOL 1,2-DIOXYGENASE RHODOCOCCUS OPACUS 1CP IN COMPLEX WITH 4,5-DICHLOROCATECHOL	RHODOCOCCUS OPACUS	BETA-SANDWICH AROMATIC HYDROCARBONS CATABOLISM DIOXYGENASEMETAL-BINDING OXIDOREDUCTASE
Ref.:	CATECHOL 1,2-DIOXYGENASE FROM THE GRAM-POSITIVE RHO OPACUS 1CP: QUANTITATIVE STRUCTURE/ACTIVITY RELATIO AND THE CRYSTAL STRUCTURES OF NATIVE ENZYME AND CAT ADDUCTS. J.STRUCT.BIOL. V. 170 548 2010

Members (10)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3HJQ	Ki = 6.5 uM	MBD	C7 H8 O2	Cc1cccc(c1....
2	3HKP	Ki = 310 uM	DHB	C7 H6 O4	c1cc(c(cc1....
3	3I4V	Ki = 0.7 uM	3CE	C6 H5 Cl O2	c1cc(c(c(c....
4	3HHY	Ki = 3 uM	CAQ	C6 H6 O2	c1ccc(c(c1....
5	3HJ8	Ki = 1.5 uM	4CL	C6 H5 Cl O2	c1cc(c(cc1....
6	3HGI	-	BEZ	C7 H6 O2	c1ccc(cc1)....
7	3HJS	Ki = 4 uM	MCT	C7 H8 O2	Cc1ccc(c(c....
8	3I4Y	Ki = 0.09 uM	35C	C6 H4 Cl2 O2	c1c(cc(c(c....
9	3HHX	Ki = 4.5 uM	PYG	C6 H6 O3	c1cc(c(c(c....
10	3I51	Ki = 0.02 uM	45C	C6 H4 Cl2 O2	c1c(c(cc(c....

70% Homology Family (10)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3HJQ	Ki = 6.5 uM	MBD	C7 H8 O2	Cc1cccc(c1....
2	3HKP	Ki = 310 uM	DHB	C7 H6 O4	c1cc(c(cc1....
3	3I4V	Ki = 0.7 uM	3CE	C6 H5 Cl O2	c1cc(c(c(c....
4	3HHY	Ki = 3 uM	CAQ	C6 H6 O2	c1ccc(c(c1....
5	3HJ8	Ki = 1.5 uM	4CL	C6 H5 Cl O2	c1cc(c(cc1....
6	3HGI	-	BEZ	C7 H6 O2	c1ccc(cc1)....
7	3HJS	Ki = 4 uM	MCT	C7 H8 O2	Cc1ccc(c(c....
8	3I4Y	Ki = 0.09 uM	35C	C6 H4 Cl2 O2	c1c(cc(c(c....
9	3HHX	Ki = 4.5 uM	PYG	C6 H6 O3	c1cc(c(c(c....
10	3I51	Ki = 0.02 uM	45C	C6 H4 Cl2 O2	c1c(c(cc(c....

50% Homology Family (12)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	3HJQ	Ki = 6.5 uM	MBD	C7 H8 O2	Cc1cccc(c1....
2	3HKP	Ki = 310 uM	DHB	C7 H6 O4	c1cc(c(cc1....
3	3I4V	Ki = 0.7 uM	3CE	C6 H5 Cl O2	c1cc(c(c(c....
4	3HHY	Ki = 3 uM	CAQ	C6 H6 O2	c1ccc(c(c1....
5	3HJ8	Ki = 1.5 uM	4CL	C6 H5 Cl O2	c1cc(c(cc1....
6	3HGI	-	BEZ	C7 H6 O2	c1ccc(cc1)....
7	3HJS	Ki = 4 uM	MCT	C7 H8 O2	Cc1ccc(c(c....
8	3I4Y	Ki = 0.09 uM	35C	C6 H4 Cl2 O2	c1c(cc(c(c....
9	3HHX	Ki = 4.5 uM	PYG	C6 H6 O3	c1cc(c(c(c....
10	3I51	Ki = 0.02 uM	45C	C6 H4 Cl2 O2	c1c(c(cc(c....
11	2BOY	-	BHO	C7 H7 N O2	c1ccc(cc1)....
12	1S9A	-	BEZ	C7 H6 O2	c1ccc(cc1)....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: 4CL; Similar ligands found: 5

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	4CL	1	1
2	5JC	0.518519	0.809524
3	JZ2	0.5	0.772727
4	MZG	0.5	0.772727
5	4ZC	0.424242	0.68

Ligand no: 2; Ligand: 6PL; Similar ligands found: 102

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	PC7	1	1
2	HGP	1	1
3	6PL	1	1
4	LIO	1	1
5	HGX	1	1
6	PX4	1	1
7	PLD	1	1
8	XP5	0.935484	1
9	HXG	0.873016	1
10	PCW	0.871429	0.981481
11	PCK	0.847222	0.946429
12	3PE	0.80303	0.793103
13	PEV	0.80303	0.793103
14	8PE	0.80303	0.793103
15	PEF	0.80303	0.793103
16	PEH	0.80303	0.793103
17	PTY	0.80303	0.793103
18	PSC	0.792208	0.981481
19	9PE	0.791045	0.793103
20	PEE	0.764706	0.810345
21	CD4	0.735294	0.727273
22	PC1	0.732394	0.924528
23	MC3	0.732394	0.924528
24	PCF	0.732394	0.924528
25	PGT	0.714286	0.701754
26	LHG	0.714286	0.701754
27	6OU	0.706667	0.779661
28	L9Q	0.706667	0.779661
29	LOP	0.706667	0.779661
30	RXY	0.697368	0.779661
31	P5S	0.694444	0.745763
32	K6G	0.685714	0.963636
33	LP3	0.685714	0.963636
34	LPC	0.685714	0.963636
35	LAP	0.685714	0.963636
36	F57	0.681818	0.727273
37	7PH	0.681818	0.727273
38	6PH	0.681818	0.727273
39	LPP	0.681818	0.727273
40	3PH	0.681818	0.727273
41	8SP	0.680556	0.745763
42	7P9	0.671642	0.727273
43	PX2	0.671642	0.773585
44	PX8	0.671642	0.773585
45	ZPE	0.666667	0.779661
46	CN3	0.657895	0.727273
47	PA8	0.656716	0.773585
48	LBN	0.65	0.907407
49	L9R	0.65	0.907407
50	POV	0.65	0.907407
51	GP7	0.638554	0.779661
52	PEK	0.634146	0.779661
53	PGW	0.632911	0.689655
54	D3D	0.632911	0.689655
55	PII	0.631579	0.655738
56	CN6	0.631579	0.727273
57	PD7	0.626866	0.727273
58	DR9	0.625	0.689655
59	PGV	0.625	0.689655
60	P6L	0.617284	0.689655
61	PGK	0.617284	0.666667
62	PIF	0.615385	0.645161
63	44G	0.611111	0.701754
64	P50	0.609756	0.745763
65	OZ2	0.609756	0.689655
66	CDL	0.608108	0.722222
67	42H	0.607595	0.946429
68	PIZ	0.604938	0.655738
69	M7U	0.6	0.727273
70	D21	0.6	0.714286
71	DGG	0.595238	0.666667
72	PSF	0.594595	0.745763
73	43Y	0.594203	0.962264
74	52N	0.592593	0.645161
75	PIO	0.592593	0.645161
76	IP9	0.592593	0.655738
77	PG8	0.578947	0.701754
78	DLP	0.574713	0.907407
79	44E	0.573529	0.727273
80	B7N	0.564706	0.645161
81	8ND	0.56338	0.614035
82	PC5	0.56	0.824561
83	PDK	0.55914	0.777778
84	AGA	0.544304	0.701754
85	EPH	0.537634	0.779661
86	LPX	0.533333	0.775862
87	3PC	0.531646	0.90566
88	PIE	0.522727	0.629032
89	P3A	0.505618	0.689655
90	T7X	0.505376	0.645161
91	PQJ	0.477612	0.886792
92	OPC	0.472527	0.963636
93	LPE	0.467532	0.909091
94	NKO	0.452055	0.696429
95	NKN	0.452055	0.696429
96	CN5	0.451219	0.745455
97	SPU	0.445783	0.803279
98	3XU	0.44086	0.809524
99	OCB	0.438356	0.796296
100	S12	0.41573	0.716667
101	I35	0.409639	0.606557
102	NKP	0.402439	0.684211

Similar Ligands (3D)

Ligand no: 1; Ligand: 4CL; Similar ligands found: 1026

No:	Ligand	Similarity coefficient
1	4JJ	1.0000
2	27Y	1.0000
3	BR9	1.0000
4	MCT	1.0000
5	MWJ	1.0000
6	4HO	0.9995
7	XYD	0.9975
8	2AC	0.9975
9	QOS	0.9968
10	A1U	0.9968
11	URF	0.9962
12	MWM	0.9958
13	TH0	0.9956
14	XBZ	0.9955
15	PYD	0.9954
16	ICP	0.9954
17	1MC	0.9954
18	2YU	0.9951
19	5MH	0.9945
20	4ZE	0.9939
21	34A	0.9931
22	TDR	0.9922
23	2MP	0.9921
24	TM7	0.9915
25	WBU	0.9909
26	43M	0.9909
27	HT4	0.9901
28	Y8I	0.9886
29	5UC	0.9886
30	XYP	0.9867
31	LXC	0.9842
32	4JO	0.9840
33	AHR	0.9804
34	TLD	0.9800
35	3Z7	0.9772
36	4XR	0.9751
37	IUR	0.9740
38	3ZQ	0.9738
39	1PT	0.9737
40	FPY	0.9715
41	2MH	0.9701
42	CRS	0.9694
43	RCO	0.9694
44	4JU	0.9694
45	40O	0.9687
46	284	0.9673
47	LG5	0.9656
48	3CH	0.9654
49	CAQ	0.9647
50	URA	0.9645
51	OXE	0.9642
52	ZZT	0.9641
53	LG3	0.9640
54	4HS	0.9639
55	XYS	0.9638
56	B3R	0.9633
57	26D	0.9633
58	CYT	0.9633
59	RIP	0.9630
60	2CQ	0.9629
61	T6C	0.9624
62	M3T	0.9618
63	BVF	0.9617
64	HQE	0.9616
65	HMH	0.9615
66	BML	0.9613
67	PCR	0.9612
68	HEW	0.9611
69	L89	0.9607
70	PXY	0.9607
71	CIG	0.9600
72	FUC	0.9598
73	35C	0.9596
74	0MK	0.9593
75	FUL	0.9593
76	IOL	0.9590
77	4JN	0.9589
78	4CH	0.9589
79	8GF	0.9589
80	LG4	0.9588
81	150	0.9587
82	25R	0.9586
83	4H2	0.9578
84	AMC	0.9577
85	HGQ	0.9573
86	HX3	0.9570
87	IDH	0.9568
88	F4Z	0.9564
89	1WG	0.9563
90	KOJ	0.9563
91	BZX	0.9562
92	RSF	0.9560
93	JIF	0.9557
94	FPI	0.9556
95	HHQ	0.9554
96	92Z	0.9553
97	FP2	0.9553
98	45C	0.9551
99	7MH	0.9551
100	24B	0.9551
101	FYU	0.9549
102	1AN	0.9548
103	2AF	0.9546
104	8LG	0.9546
105	PLQ	0.9546
106	NK	0.9545
107	282	0.9545
108	23A	0.9542
109	8H8	0.9541
110	FPN	0.9538
111	DA1	0.9532
112	285	0.9531
113	JZ0	0.9530
114	TC7	0.9530
115	1DW	0.9530
116	6AI	0.9528
117	NSP	0.9524
118	GLC	0.9524
119	JZ3	0.9521
120	BEW	0.9516
121	DUC	0.9516
122	DFU	0.9515
123	93Q	0.9514
124	0TR	0.9514
125	76X	0.9511
126	0R0	0.9511
127	2CH	0.9508
128	G6D	0.9508
129	HBA	0.9506
130	TH7	0.9505
131	ARB	0.9497
132	5MI	0.9495
133	ES9	0.9493
134	PHB	0.9490
135	5MB	0.9488
136	7CZ	0.9488
137	SYN	0.9487
138	H4N	0.9481
139	DEN	0.9477
140	PYG	0.9477
141	11S	0.9475
142	3XX	0.9475
143	CYH	0.9475
144	H8N	0.9474
145	TBP	0.9461
146	938	0.9460
147	25W	0.9460
148	14O	0.9459
149	DFB	0.9459
150	CXL	0.9459
151	TMT	0.9456
152	ADE	0.9456
153	5H1	0.9455
154	FK1	0.9453
155	HTS	0.9453
156	HBX	0.9453
157	ABN	0.9450
158	HAI	0.9450
159	HPA	0.9448
160	BZF	0.9445
161	F60	0.9443
162	2K4	0.9442
163	4XX	0.9442
164	H3M	0.9442
165	IND	0.9433
166	TMZ	0.9431
167	GVH	0.9425
168	PY7	0.9425
169	HPY	0.9425
170	NOJ	0.9425
171	JFD	0.9424
172	BTE	0.9422
173	RIB	0.9420
174	BZI	0.9417
175	F81	0.9415
176	0R1	0.9414
177	6X8	0.9412
178	275	0.9411
179	Q88	0.9411
180	XXR	0.9407
181	ECE	0.9406
182	AX7	0.9405
183	F05	0.9403
184	C2B	0.9402
185	270	0.9401
186	LZ1	0.9399
187	CWM	0.9399
188	J1Z	0.9399
189	3MC	0.9398
190	PYF	0.9395
191	YAN	0.9395
192	10L	0.9393
193	9DA	0.9392
194	9HX	0.9391
195	6MH	0.9391
196	4VP	0.9390
197	V55	0.9388
198	MPI	0.9383
199	DGJ	0.9383
200	ES0	0.9381
201	3FA	0.9381
202	FCA	0.9380
203	1XX	0.9380
204	MBD	0.9380
205	ABV	0.9380
206	3CE	0.9377
207	0CT	0.9376
208	8NY	0.9375
209	DUB	0.9372
210	ABE	0.9371
211	IDM	0.9370
212	2MI	0.9369
213	PM6	0.9369
214	GXE	0.9369
215	4M4	0.9369
216	2C9	0.9368
217	HMU	0.9368
218	ADZ	0.9366
219	7HP	0.9364
220	HIU	0.9363
221	6MP	0.9358
222	4JP	0.9357
223	TM4	0.9356
224	7WA	0.9356
225	ES4	0.9356
226	P3K	0.9355
227	GMN	0.9353
228	9EW	0.9353
229	XQ0	0.9351
230	BGC	0.9350
231	2MY	0.9347
232	1P7	0.9344
233	286	0.9341
234	FFP	0.9337
235	SAL	0.9336
236	9X7	0.9335
237	HLR	0.9334
238	2CM	0.9333
239	IPH	0.9333
240	S76	0.9333
241	2A9	0.9330
242	F0J	0.9329
243	BP1	0.9329
244	YCP	0.9329
245	BEZ	0.9324
246	0RW	0.9323
247	GCS	0.9321
248	1MR	0.9320
249	4HM	0.9318
250	FLM	0.9317
251	MBN	0.9316
252	ISN	0.9315
253	ICC	0.9312
254	5B1	0.9311
255	FUF	0.9308
256	SVN	0.9308
257	GYE	0.9308
258	C2A	0.9304
259	SOE	0.9303
260	2DR	0.9299
261	64K	0.9299
262	7B4	0.9298
263	F5B	0.9298
264	CYS	0.9297
265	TTO	0.9294
266	G3F	0.9294
267	GAL	0.9292
268	MLT	0.9290
269	FCB	0.9290
270	IFM	0.9290
271	WOT	0.9289
272	3AP	0.9287
273	AZF	0.9286
274	8CL	0.9285
275	4JL	0.9283
276	NCA	0.9283
277	OXQ	0.9281
278	FBA	0.9280
279	YHO	0.9278
280	QUZ	0.9276
281	HGW	0.9276
282	NPY	0.9276
283	HHN	0.9274
284	M1A	0.9273
285	2D0	0.9273
286	23W	0.9273
287	BEN	0.9273
288	JB5	0.9271
289	5AN	0.9271
290	NEQ	0.9270
291	PIH	0.9269
292	4AP	0.9267
293	G4D	0.9266
294	2AP	0.9265
295	R2B	0.9263
296	6M9	0.9263
297	2IM	0.9263
298	7W4	0.9260
299	G2F	0.9255
300	AX2	0.9254
301	8S0	0.9253
302	GBD	0.9252
303	EUG	0.9252
304	DTL	0.9250
305	KKN	0.9247
306	HVK	0.9247
307	6M4	0.9246
308	6UA	0.9245
309	2ZX	0.9244
310	5ZE	0.9242
311	OXZ	0.9242
312	HRZ	0.9241
313	BR8	0.9241
314	XM0	0.9241
315	94N	0.9239
316	LMR	0.9238
317	RAM	0.9238
318	5WV	0.9234
319	3DM	0.9234
320	13X	0.9234
321	NIO	0.9233
322	BE2	0.9232
323	6CS	0.9232
324	LDU	0.9229
325	9PO	0.9228
326	NBZ	0.9228
327	9CL	0.9227
328	ES5	0.9227
329	COU	0.9227
330	6PC	0.9227
331	03V	0.9226
332	5XC	0.9225
333	BAM	0.9225
334	ES7	0.9224
335	1SQ	0.9223
336	1DH	0.9223
337	6HQ	0.9223
338	3F0	0.9222
339	1LM	0.9222
340	FP1	0.9222
341	2AQ	0.9221
342	4FS	0.9221
343	DBH	0.9221
344	JZ1	0.9221
345	24W	0.9221
346	7HQ	0.9218
347	3U4	0.9218
348	ES6	0.9217
349	FE DB1	0.9215
350	LGA	0.9215
351	RM1	0.9215
352	67N	0.9214
353	3MH	0.9213
354	4NC	0.9213
355	3AY	0.9212
356	LZM	0.9212
357	JPZ	0.9211
358	N5J	0.9211
359	4JM	0.9210
360	1XM	0.9210
361	5Q0	0.9208
362	INO	0.9208
363	3HA	0.9207
364	NOY	0.9207
365	I3A	0.9206
366	OHG	0.9206
367	1NP	0.9204
368	42A	0.9204
369	2KT	0.9203
370	5NU	0.9203
371	3M0	0.9202
372	4YS	0.9201
373	AZA	0.9201
374	1LQ	0.9200
375	JAE	0.9200
376	B53	0.9200
377	EXO	0.9200
378	BOA	0.9199
379	KIV	0.9199
380	WDL	0.9198
381	261	0.9197
382	ARA	0.9197
383	NNO	0.9196
384	5IQ	0.9195
385	25T	0.9195
386	OAA	0.9195
387	JBH	0.9194
388	GUN	0.9194
389	MAK	0.9192
390	DSN	0.9191
391	JZ9	0.9190
392	5SG	0.9189
393	24T	0.9189
394	ES1	0.9188
395	MB3	0.9188
396	GAG	0.9187
397	HY3	0.9187
398	RM4	0.9187
399	8GC	0.9186
400	O72	0.9185
401	FAN	0.9185
402	5CU	0.9185
403	DHB	0.9184
404	4A3	0.9183
405	6AP	0.9182
406	IF7	0.9182
407	5RG	0.9180
408	3DO	0.9179
409	1DU	0.9178
410	H42	0.9177
411	4M0	0.9176
412	E60	0.9175
413	82I	0.9175
414	HQY	0.9174
415	93K	0.9174
416	5M0	0.9172
417	3HM	0.9172
418	YH7	0.9171
419	PYJ	0.9171
420	VAL	0.9171
421	ERH	0.9170
422	2H5	0.9170
423	9DG	0.9167
424	FA0	0.9167
425	KG7	0.9166
426	GTQ	0.9166
427	PZA	0.9165
428	YTB	0.9165
429	1AB	0.9164
430	2HO	0.9163
431	280	0.9163
432	DOB	0.9162
433	FHB	0.9162
434	AC0	0.9162
435	SWD	0.9161
436	XAN	0.9161
437	OCH	0.9160
438	IFL	0.9160
439	717	0.9158
440	4SV	0.9157
441	2EC	0.9157
442	LDP	0.9156
443	MFB	0.9155
444	HH5	0.9154
445	EDG	0.9153
446	BP9	0.9151
447	MZW	0.9151
448	2CK	0.9151
449	NTN	0.9151
450	APY	0.9150
451	GAB	0.9150
452	BSX	0.9149
453	2A7	0.9149
454	0CU	0.9148
455	KSW	0.9148
456	BHA	0.9147
457	BCP	0.9147
458	5AC	0.9146
459	CEJ	0.9145
460	4CS	0.9144
461	FOA	0.9143
462	L3Q	0.9143
463	2XX	0.9142
464	DGY	0.9142
465	265	0.9141
466	PRO	0.9141
467	RSO	0.9141
468	2FG	0.9140
469	HSE	0.9139
470	SER	0.9136
471	DMG	0.9136
472	DTI	0.9135
473	VGL	0.9135
474	A2F	0.9134
475	12M	0.9134
476	7EX	0.9134
477	P9P	0.9133
478	3RK	0.9133
479	3PY	0.9132
480	93B	0.9130
481	PYC	0.9127
482	3HB	0.9127
483	A2Q	0.9125
484	SS1	0.9124
485	MYJ	0.9123
486	54G	0.9122
487	290	0.9122
488	14J	0.9122
489	60P	0.9121
490	IT2	0.9120
491	5OB	0.9119
492	TP5	0.9118
493	141	0.9117
494	RNS	0.9116
495	UNU	0.9115
496	AGK	0.9115
497	149	0.9115
498	3ID	0.9114
499	R8S	0.9112
500	PEA	0.9111
501	IGA	0.9110
502	XX2	0.9110
503	XQG	0.9109
504	BZ3	0.9109
505	VNJ	0.9109
506	FDB	0.9106
507	B24	0.9106
508	HSL	0.9106
509	5MK	0.9105
510	BE7	0.9105
511	H76	0.9102
512	QSC	0.9101
513	ASO	0.9100
514	53C	0.9100
515	JBE	0.9097
516	DMD	0.9096
517	ADK	0.9095
518	PCA	0.9095
519	DX4	0.9094
520	DXX	0.9094
521	278	0.9094
522	CIZ	0.9094
523	HH8	0.9093
524	4XH	0.9092
525	2PC	0.9092
526	F9Y	0.9090
527	ZZ3	0.9089
528	5VM	0.9087
529	TCZ	0.9087
530	9TW	0.9087
531	MR1	0.9087
532	SX1	0.9085
533	DTU	0.9084
534	MZ0	0.9084
535	CFP	0.9082
536	QSB	0.9082
537	R8A	0.9081
538	GLA	0.9079
539	GIV	0.9078
540	9TZ	0.9077
541	URQ	0.9077
542	MMZ	0.9076
543	MLI	0.9073
544	PBC	0.9072
545	CHB	0.9071
546	L60	0.9070
547	BTY	0.9070
548	KYD	0.9070
549	AZG	0.9067
550	CWS	0.9067
551	PZI	0.9067
552	3AB	0.9065
553	B55	0.9065
554	1WD	0.9064
555	KJY	0.9064
556	BHO	0.9064
557	NPO	0.9064
558	3MA	0.9060
559	GIF	0.9059
560	8TX	0.9057
561	5HN	0.9055
562	GIO	0.9055
563	FQI	0.9054
564	KUF	0.9054
565	URC	0.9054
566	69O	0.9053
567	OVV	0.9052
568	7VJ	0.9052
569	36R	0.9051
570	MAN	0.9051
571	0P6	0.9049
572	C5J	0.9048
573	SMV	0.9045
574	NMJ	0.9045
575	ISE	0.9044
576	3NT	0.9043
577	NVI	0.9043
578	HYN	0.9043
579	WCE	0.9043
580	NIZ	0.9043
581	LCN	0.9042
582	5CL	0.9039
583	X6X	0.9038
584	CXF	0.9035
585	MLA	0.9034
586	3OC	0.9032
587	47J	0.9031
588	LRH	0.9030
589	3SK	0.9029
590	75K	0.9027
591	XIY	0.9027
592	PAB	0.9025
593	EQT	0.9024
594	ET2	0.9024
595	CLW	0.9023
596	JBN	0.9021
597	86J	0.9021
598	ASN	0.9020
599	9TY	0.9020
600	ALL	0.9020
601	ASP	0.9020
602	KT7	0.9018
603	IHB	0.9017
604	AC6	0.9017
605	P72	0.9014
606	9MG	0.9013
607	8WT	0.9012
608	JKE	0.9009
609	MNM	0.9009
610	TAR	0.9009
611	7WV	0.9008
612	1XN	0.9007
613	GXL	0.9004
614	M58	0.9004
615	XIX	0.9003
616	RUU	0.9003
617	PBZ	0.9002
618	GAF	0.9001
619	273	0.9001
620	DAB	0.9000
621	B57	0.9000
622	IPB	0.8999
623	DIE	0.8999
624	PXL	0.8998
625	1Y6	0.8997
626	1P8	0.8996
627	R1X	0.8995
628	QBK	0.8995
629	6LW	0.8995
630	XBT	0.8995
631	K2T	0.8994
632	FBB	0.8993
633	QWN	0.8991
634	DMI	0.8990
635	DMJ	0.8990
636	ABA	0.8990
637	M1E	0.8990
638	TZC	0.8989
639	JAB	0.8988
640	HBD	0.8988
641	9YL	0.8988
642	8CM	0.8986
643	BVC	0.8984
644	V1L	0.8982
645	INS	0.8982
646	1M2	0.8980
647	HHA	0.8980
648	MRY	0.8980
649	LGC	0.8980
650	DHK	0.8980
651	1GN	0.8980
652	ISZ	0.8979
653	VGD	0.8978
654	4FA	0.8978
655	ES2	0.8977
656	TFB	0.8977
657	HCS	0.8976
658	5JL	0.8975
659	A7W	0.8975
660	BRT	0.8974
661	URP	0.8974
662	C21	0.8971
663	HSM	0.8971
664	0W8	0.8971
665	3BZ	0.8970
666	XAZ	0.8970
667	GOO	0.8970
668	FRU	0.8970
669	2HQ	0.8968
670	6F0	0.8968
671	8IG	0.8967
672	PAF	0.8967
673	P92	0.8965
674	Z6J	0.8965
675	M2H	0.8964
676	CRN	0.8964
677	IP0	0.8960
678	MBG	0.8958
679	8WO	0.8958
680	IMR	0.8955
681	LER	0.8953
682	VNL	0.8953
683	GRE	0.8952
684	4MA	0.8951
685	QXW	0.8950
686	MRW	0.8947
687	2ZV	0.8946
688	YIO	0.8946
689	PA1	0.8946
690	5JQ	0.8945
691	MEW	0.8945
692	VOH	0.8944
693	PFB	0.8943
694	WOO	0.8942
695	2LP	0.8941
696	Z82	0.8939
697	PE0	0.8938
698	R8V	0.8937
699	6M1	0.8936
700	PXM	0.8934
701	ZBT	0.8934
702	THR	0.8933
703	42J	0.8931
704	F31	0.8931
705	4AX	0.8930
706	O7U	0.8930
707	4JT	0.8930
708	BMA	0.8925
709	MAE	0.8924
710	260	0.8922
711	FOT	0.8922
712	ITN	0.8922
713	4AA	0.8920
714	JBK	0.8919
715	KBG	0.8918
716	GXY	0.8916
717	1P3	0.8916
718	3Z8	0.8913
719	32O	0.8913
720	2BG	0.8908
721	E7Z	0.8907
722	IV2	0.8906
723	XRG	0.8905
724	JZ4	0.8904
725	FUB	0.8901
726	SEJ	0.8899
727	SWA	0.8899
728	ORO	0.8898
729	SS2	0.8897
730	7W1	0.8895
731	UNC	0.8895
732	FDK	0.8895
733	AZ8	0.8893
734	CFI	0.8893
735	BBF	0.8891
736	HVQ	0.8891
737	ALO	0.8889
738	SHG	0.8889
739	7WG	0.8889
740	AEF	0.8889
741	12Q	0.8887
742	BVG	0.8887
743	ORN	0.8886
744	Q24	0.8885
745	UGC	0.8880
746	PEL	0.8880
747	BCF	0.8880
748	6GU	0.8880
749	174	0.8876
750	DIN	0.8875
751	5QX	0.8873
752	BNS	0.8869
753	39A	0.8865
754	EV0	0.8864
755	HFB	0.8863
756	8ZE	0.8863
757	SJ5	0.8863
758	SHA	0.8862
759	PZM	0.8862
760	AUD	0.8862
761	HIO	0.8861
762	LYL	0.8860
763	XUL	0.8860
764	MSN	0.8860
765	M5K	0.8859
766	FBM	0.8858
767	HUI	0.8857
768	DOR	0.8856
769	AQO	0.8855
770	HJP	0.8854
771	CEE	0.8854
772	MWP	0.8853
773	FLA	0.8852
774	YRL	0.8850
775	826	0.8850
776	95Z	0.8850
777	IBF	0.8846
778	SKM	0.8844
779	GLU	0.8842
780	4XV	0.8838
781	KPL	0.8837
782	5RN	0.8835
783	GDE	0.8835
784	ICO	0.8834
785	SKA	0.8833
786	OXC	0.8831
787	M6N	0.8830
788	TTL	0.8830
789	HQT	0.8829
790	CGB	0.8828
791	3SL	0.8828
792	DCY	0.8822
793	0JD	0.8822
794	40E	0.8822
795	P2D	0.8821
796	MO8	0.8821
797	AFR	0.8817
798	BDP	0.8816
799	4HC	0.8811
800	AJ2	0.8806
801	C2U	0.8806
802	DYA	0.8805
803	J9W	0.8805
804	PKU	0.8805
805	HXX	0.8805
806	PRY	0.8804
807	5WX	0.8804
808	BDF	0.8804
809	MET	0.8803
810	NVA	0.8803
811	IJZ	0.8802
812	NBE	0.8800
813	FH2	0.8800
814	M1Q	0.8799
815	ZXD	0.8797
816	F3B	0.8796
817	D1X	0.8796
818	32X	0.8795
819	SW7	0.8794
820	4Z4	0.8794
821	HZP	0.8793
822	DPR	0.8793
823	PCI	0.8790
824	JZ7	0.8789
825	DRL	0.8787
826	TPA	0.8786
827	OK7	0.8785
828	G3E	0.8785
829	A65	0.8784
830	CTL	0.8783
831	NDM	0.8781
832	AAE	0.8780
833	SRT	0.8780
834	KIB	0.8779
835	DHS	0.8777
836	HY1	0.8776
837	MQN	0.8776
838	4XS	0.8774
839	KJH	0.8773
840	FPK	0.8771
841	2AL	0.8771
842	DQN	0.8770
843	MT0	0.8769
844	7MU	0.8768
845	1U6	0.8768
846	F9P	0.8767
847	42C	0.8766
848	UEG	0.8766
849	4SX	0.8766
850	5QY	0.8766
851	M0W	0.8765
852	3PF	0.8765
853	34D	0.8761
854	Q6T	0.8759
855	1LN	0.8757
856	KMT	0.8756
857	4P5	0.8756
858	ZWZ	0.8755
859	3V4	0.8754
860	EA1	0.8753
861	TZE	0.8753
862	AW5	0.8752
863	NXA	0.8752
864	H7Y	0.8750
865	7NI	0.8748
866	DAS	0.8747
867	IPZ	0.8747
868	JBQ	0.8747
869	7VS	0.8746
870	ODV	0.8746
871	94B	0.8745
872	DIU	0.8745
873	3IT	0.8745
874	X0V	0.8743
875	HZQ	0.8742
876	4YO	0.8742
877	JA8	0.8742
878	DHQ	0.8741
879	DBB	0.8740
880	A3B	0.8740
881	7N0	0.8740
882	SR1	0.8739
883	TEO	0.8738
884	UY7	0.8738
885	4PW	0.8738
886	OXL	0.8737
887	2RA	0.8736
888	SIN	0.8736
889	I1N	0.8736
890	GLF	0.8735
891	QSH	0.8735
892	3WA	0.8734
893	RHU	0.8734
894	M1H	0.8734
895	M0Q	0.8732
896	0HO	0.8731
897	ARW	0.8731
898	MRZ	0.8727
899	3MT	0.8725
900	LT2	0.8724
901	CN0	0.8722
902	EKZ	0.8721
903	JZ5	0.8721
904	OVM	0.8720
905	4JQ	0.8720
906	DHR	0.8719
907	G5V	0.8719
908	3MB	0.8719
909	0TU	0.8719
910	RB5	0.8718
911	KDV	0.8716
912	948	0.8715
913	FGZ	0.8713
914	N2I	0.8713
915	OXM	0.8712
916	5RO	0.8711
917	KJU	0.8711
918	TLA	0.8709
919	BAE	0.8709
920	TFU	0.8709
921	192	0.8708
922	AKH	0.8706
923	EOL	0.8706
924	51F	0.8705
925	PEP	0.8703
926	0HN	0.8701
927	PHU	0.8701
928	1F1	0.8700
929	495	0.8698
930	1AC	0.8697
931	GCB	0.8695
932	LNR	0.8693
933	AEH	0.8692
934	HLZ	0.8689
935	6RQ	0.8688
936	ILE	0.8687
937	173	0.8686
938	PBE	0.8685
939	1DV	0.8684
940	SE2	0.8683
941	MUA	0.8680
942	B62	0.8680
943	PYR	0.8680
944	HYP	0.8677
945	IFP	0.8676
946	FA1	0.8676
947	J5I	0.8673
948	OXD	0.8673
949	JND	0.8672
950	XYL	0.8670
951	XHP	0.8669
952	AMT	0.8669
953	D48	0.8668
954	DIG	0.8667
955	OTW	0.8665
956	HDA	0.8664
957	EYK	0.8661
958	FBV	0.8659
959	3NY	0.8658
960	3R6	0.8652
961	GLT	0.8650
962	DBX	0.8649
963	0FO	0.8648
964	TIU	0.8647
965	DBJ	0.8644
966	6NT	0.8642
967	B60	0.8640
968	1DQ	0.8639
969	N8Y	0.8636
970	PQ0	0.8636
971	ABI	0.8634
972	MFU	0.8631
973	ATQ	0.8630
974	44W	0.8629
975	3A9	0.8628
976	BAQ	0.8628
977	LFR	0.8625
978	QWW	0.8623
979	SF9	0.8623
980	ASC	0.8622
981	AKB	0.8621
982	PRF	0.8621
983	TSS	0.8620
984	4WL	0.8620
985	UAN	0.8617
986	PYM	0.8615
987	PAC	0.8612
988	4ZA	0.8609
989	B20	0.8609
990	DQU	0.8608
991	3FH	0.8606
992	5GU	0.8605
993	2ZM	0.8602
994	AZ9	0.8601
995	680	0.8601
996	4MZ	0.8598
997	OW4	0.8593
998	QX2	0.8590
999	QY9	0.8590
1000	1MZ	0.8588
1001	TEP	0.8584
1002	HQD	0.8583
1003	XCZ	0.8582
1004	6KX	0.8582
1005	MVN	0.8581
1006	QX4	0.8581
1007	ADA	0.8578
1008	PYQ	0.8576
1009	2HU	0.8574
1010	5MP	0.8571
1011	BYZ	0.8567
1012	ANN	0.8565
1013	PBR	0.8559
1014	44V	0.8556
1015	5KX	0.8554
1016	51R	0.8554
1017	JAW	0.8552
1018	7WR	0.8552
1019	SFU	0.8550
1020	XLS	0.8546
1021	PAV	0.8541
1022	APZ	0.8540
1023	YSO	0.8530
1024	MR3	0.8528
1025	JZ6	0.8524
1026	GBL	0.8520

Ligand no: 2; Ligand: 6PL; 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 : 3I51; Ligand: 45C; 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: 3i51.bio1) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 3I51; Ligand: 45C; 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: 3i51.bio1) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 3I51; Ligand: 6PL; 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: 3i51.bio1) has 28 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 3I51; Ligand: 6PL; 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: 3i51.bio1) has 28 residues
No:	Leader PDB	Ligand	Sequence Similarity

APoc FAQ