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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6PQS	1.6 Å	NON-ENZYME: OTHER	THE CRYSTAL STRUCTURE OF 4-METHYLBENZOATE-BOUND CYP199A4	RHODOPSEUDOMONAS PALUSTRIS (STRAIN HAAORGANISM_TAXID: 316058	CYTOCHROME P450 4-METHYLBENZOIC ACID OXIDOREDUCTASE
Ref.:	INVESTIGATION OF THE REQUIREMENTS FOR EFFICIENT AND SELECTIVE CYTOCHROME P450 MONOOXYGENASE CATALYSIS A DIFFERENT REACTIONS. J.INORG.BIOCHEM. V. 203 10913 2019

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
4MA	A:502;	Valid;	none;	Kd = 0.66 uM	136.148	C8 H8 O2	Cc1cc...
HEM	A:501;	Part of Protein;	none;	submit data	616.487	C34 H32 Fe N4 O4	Cc1c2...
CL	A:503;	Invalid;	none;	submit data	35.453	Cl	[Cl-]

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4DO1	2 Å	NON-ENZYME: OTHER	THE CRYSTAL STRUCTURES OF 4-METHOXYBENZOATE BOUND CYP199A4	RHODOPSEUDOMONAS PALUSTRIS	CYTOCHROME P450 SECONDARY METABOLITES BIOSYNTHESIS TRANSPOCATABOLISM OXIDOREDUCTASE
Ref.:	THE CRYSTAL STRUCTURES OF 4-METHOXYBENZOATE BOUND C AND CYP199A4: STRUCTURAL CHANGES ON SUBSTRATE BINDI THE IDENTIFICATION OF AN ANION BINDING SITE DALTON TRANS V. 41 8703 2012

Members (11)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1610 families.
1	6PQW	Kd = 89 uM	OVV	C8 H8 O2	Cc1cccc(c1....
2	4DO1	Kd = 0.28 uM	ANN	C8 H8 O3	COc1ccc(cc....
3	6U30	Kd = 2.3 uM	PQM	C12 H9 N O2	c1cc(cnc1)....
4	6PQD	Kd = 33 uM	OVP	C8 H8 O2 S	CSc1cccc(c....
5	6PQ6	Kd = 69 uM	OVM	C8 H8 O3	COc1cccc(c....
6	6U3K	Kd = 1 uM	PQS	C12 H9 N O2	c1ccnc(c1)....
7	6PQS	Kd = 0.66 uM	4MA	C8 H8 O2	Cc1ccc(cc1....
8	6PRR	Kd = 31 uM	OW4	C8 H9 N O2	CNc1cccc(c....
9	4EGN	Kd = 29.5 uM	TWO	C9 H10 O4	COc1ccc(cc....
10	4EGO	Kd = 44.4 uM	1F1	C9 H7 N O2	c1cc(cc2c1....
11	6PRS	Kd = 82 uM	OW7	C9 H10 O3	CCOc1cccc(....

70% Homology Family (12)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1331 families.
1	6PQW	Kd = 89 uM	OVV	C8 H8 O2	Cc1cccc(c1....
2	4DO1	Kd = 0.28 uM	ANN	C8 H8 O3	COc1ccc(cc....
3	6U30	Kd = 2.3 uM	PQM	C12 H9 N O2	c1cc(cnc1)....
4	6PQD	Kd = 33 uM	OVP	C8 H8 O2 S	CSc1cccc(c....
5	6PQ6	Kd = 69 uM	OVM	C8 H8 O3	COc1cccc(c....
6	6U3K	Kd = 1 uM	PQS	C12 H9 N O2	c1ccnc(c1)....
7	6PQS	Kd = 0.66 uM	4MA	C8 H8 O2	Cc1ccc(cc1....
8	6PRR	Kd = 31 uM	OW4	C8 H9 N O2	CNc1cccc(c....
9	4EGN	Kd = 29.5 uM	TWO	C9 H10 O4	COc1ccc(cc....
10	4EGO	Kd = 44.4 uM	1F1	C9 H7 N O2	c1cc(cc2c1....
11	6PRS	Kd = 82 uM	OW7	C9 H10 O3	CCOc1cccc(....
12	4DNJ	-	ANN	C8 H8 O3	COc1ccc(cc....

50% Homology Family (12)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1144 families.
1	6PQW	Kd = 89 uM	OVV	C8 H8 O2	Cc1cccc(c1....
2	4DO1	Kd = 0.28 uM	ANN	C8 H8 O3	COc1ccc(cc....
3	6U30	Kd = 2.3 uM	PQM	C12 H9 N O2	c1cc(cnc1)....
4	6PQD	Kd = 33 uM	OVP	C8 H8 O2 S	CSc1cccc(c....
5	6PQ6	Kd = 69 uM	OVM	C8 H8 O3	COc1cccc(c....
6	6U3K	Kd = 1 uM	PQS	C12 H9 N O2	c1ccnc(c1)....
7	6PQS	Kd = 0.66 uM	4MA	C8 H8 O2	Cc1ccc(cc1....
8	6PRR	Kd = 31 uM	OW4	C8 H9 N O2	CNc1cccc(c....
9	4EGN	Kd = 29.5 uM	TWO	C9 H10 O4	COc1ccc(cc....
10	4EGO	Kd = 44.4 uM	1F1	C9 H7 N O2	c1cc(cc2c1....
11	6PRS	Kd = 82 uM	OW7	C9 H10 O3	CCOc1cccc(....
12	4DNJ	-	ANN	C8 H8 O3	COc1ccc(cc....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: 4MA; Similar ligands found: 10

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	4MA	1	1
2	ANN	0.483871	0.611111
3	1Y6	0.466667	0.625
4	174	0.466667	0.625
5	MBO	0.466667	0.714286
6	Z82	0.466667	0.625
7	3AE	0.424242	0.625
8	BEZ	0.413793	0.909091
9	OVV	0.411765	1
10	AW5	0.4	0.647059

Similar Ligands (3D)

Ligand no: 1; Ligand: 4MA; Similar ligands found: 1139

No:	Ligand	Similarity coefficient
1	PHB	1.0000
2	PAB	1.0000
3	HBD	1.0000
4	PBZ	1.0000
5	P72	1.0000
6	SW7	1.0000
7	NPO	1.0000
8	826	1.0000
9	AC6	0.9980
10	4BZ	0.9818
11	PNZ	0.9774
12	E5X	0.9760
13	HBA	0.9745
14	AMH	0.9738
15	4NM	0.9735
16	NCA	0.9730
17	DHB	0.9722
18	JLZ	0.9722
19	FHB	0.9720
20	HDH	0.9717
21	4A3	0.9717
22	2HO	0.9717
23	SN4	0.9717
24	BEN	0.9713
25	NNO	0.9712
26	4NC	0.9711
27	XX2	0.9711
28	93K	0.9706
29	3HM	0.9704
30	BHA	0.9695
31	DOB	0.9689
32	BAM	0.9689
33	BPN	0.9689
34	PBC	0.9689
35	4M0	0.9687
36	6PC	0.9685
37	FA0	0.9683
38	MYJ	0.9681
39	NIO	0.9680
40	INO	0.9674
41	5CU	0.9660
42	P9P	0.9658
43	9TW	0.9656
44	FQI	0.9656
45	CHB	0.9653
46	4P5	0.9644
47	UNU	0.9641
48	NTN	0.9639
49	5NU	0.9637
50	BZ3	0.9627
51	QSB	0.9627
52	4VP	0.9626
53	4ZA	0.9625
54	4WL	0.9624
55	NBZ	0.9623
56	GUA	0.9615
57	4J8	0.9614
58	SAN	0.9613
59	TSU	0.9612
60	FCR	0.9610
61	FBS	0.9610
62	IHB	0.9610
63	PZA	0.9610
64	AC0	0.9608
65	BE7	0.9607
66	AAS	0.9606
67	AX7	0.9605
68	4JL	0.9604
69	SS1	0.9603
70	OTR	0.9592
71	QSC	0.9587
72	YCP	0.9585
73	5OB	0.9583
74	BNS	0.9583
75	ABV	0.9578
76	VGL	0.9572
77	PHU	0.9564
78	JAE	0.9561
79	259	0.9560
80	CFI	0.9551
81	H8N	0.9546
82	JZ7	0.9545
83	HMH	0.9544
84	AMS	0.9541
85	4JM	0.9530
86	TYL	0.9526
87	M4T	0.9525
88	270	0.9525
89	2AQ	0.9524
90	AEF	0.9523
91	03V	0.9522
92	DHR	0.9522
93	XM0	0.9522
94	2MI	0.9521
95	4FA	0.9518
96	2K4	0.9514
97	11S	0.9514
98	4FS	0.9513
99	14O	0.9507
100	H42	0.9507
101	5H1	0.9503
102	FBB	0.9503
103	F60	0.9502
104	JB5	0.9501
105	5MI	0.9499
106	OCH	0.9499
107	RSO	0.9499
108	TPA	0.9499
109	ES5	0.9496
110	OAA	0.9494
111	M58	0.9492
112	COU	0.9491
113	FBA	0.9490
114	MLT	0.9486
115	5XC	0.9485
116	TH7	0.9483
117	ISZ	0.9481
118	MS9	0.9480
119	CLW	0.9480
120	SAL	0.9473
121	4AA	0.9472
122	FAN	0.9470
123	8WO	0.9466
124	ET2	0.9464
125	K2T	0.9463
126	BHO	0.9459
127	IPB	0.9456
128	5WV	0.9455
129	717	0.9452
130	MSR	0.9451
131	0HO	0.9445
132	OK7	0.9444
133	BE2	0.9439
134	3PF	0.9439
135	1PT	0.9434
136	H4N	0.9433
137	FK1	0.9433
138	5MB	0.9431
139	1M2	0.9431
140	XQ0	0.9428
141	2CK	0.9428
142	BZX	0.9426
143	6AI	0.9426
144	IT2	0.9426
145	6RQ	0.9423
146	ES2	0.9423
147	HC4	0.9423
148	SRT	0.9422
149	0HN	0.9421
150	AMC	0.9419
151	YRL	0.9419
152	TZF	0.9418
153	36R	0.9417
154	RB5	0.9417
155	XYL	0.9417
156	67N	0.9416
157	C2B	0.9410
158	I3E	0.9409
159	C1M	0.9406
160	ES9	0.9405
161	K34	0.9404
162	VGD	0.9404
163	2FY	0.9402
164	NIZ	0.9401
165	SNU	0.9400
166	NPY	0.9397
167	6NT	0.9397
168	3NY	0.9397
169	6NI	0.9396
170	GJZ	0.9396
171	2HU	0.9394
172	4SV	0.9394
173	5QY	0.9394
174	UGC	0.9391
175	QUZ	0.9390
176	2ZM	0.9390
177	8NY	0.9388
178	5NI	0.9386
179	S2G	0.9386
180	SKM	0.9386
181	DYA	0.9385
182	PAC	0.9384
183	5VM	0.9382
184	173	0.9382
185	1F1	0.9381
186	XIY	0.9381
187	3A9	0.9380
188	3HB	0.9378
189	PZM	0.9376
190	ODO	0.9376
191	1P8	0.9375
192	8ZE	0.9375
193	AL0	0.9371
194	C21	0.9371
195	JAW	0.9369
196	CPZ	0.9369
197	D48	0.9368
198	3ID	0.9361
199	TIU	0.9361
200	3U4	0.9358
201	FYU	0.9358
202	2BG	0.9358
203	DMD	0.9358
204	ABI	0.9355
205	7W1	0.9352
206	GAB	0.9351
207	ES7	0.9349
208	14J	0.9349
209	GDE	0.9348
210	BP9	0.9348
211	TTL	0.9348
212	BZ2	0.9347
213	4CS	0.9347
214	COI	0.9346
215	PIM	0.9345
216	36Y	0.9345
217	GLU	0.9343
218	SYV	0.9342
219	KKN	0.9342
220	4XR	0.9341
221	CXF	0.9338
222	BCU	0.9338
223	4JT	0.9337
224	MQN	0.9336
225	1SA	0.9334
226	SE2	0.9333
227	M1A	0.9333
228	4SX	0.9332
229	8GC	0.9331
230	ES6	0.9330
231	JKE	0.9330
232	ISN	0.9330
233	4JQ	0.9329
234	F9Y	0.9329
235	3AB	0.9329
236	FBM	0.9328
237	M4S	0.9327
238	HX3	0.9327
239	LNR	0.9326
240	G3E	0.9324
241	IFP	0.9324
242	DE5	0.9324
243	J5I	0.9323
244	SS2	0.9323
245	JA8	0.9322
246	F9P	0.9322
247	J9Q	0.9322
248	2A9	0.9319
249	ZXD	0.9317
250	F4E	0.9316
251	94W	0.9316
252	ICB	0.9314
253	I1E	0.9313
254	CTL	0.9313
255	DHK	0.9312
256	PYF	0.9311
257	FPI	0.9310
258	CWJ	0.9309
259	WCE	0.9308
260	DEN	0.9308
261	53C	0.9307
262	JBE	0.9306
263	0TU	0.9305
264	86J	0.9304
265	E7Z	0.9303
266	5QX	0.9303
267	AKG	0.9302
268	X0V	0.9301
269	7W4	0.9300
270	5HN	0.9300
271	HHH	0.9298
272	4NB	0.9297
273	FB2	0.9297
274	4Z4	0.9296
275	97T	0.9296
276	4FH	0.9296
277	8H8	0.9295
278	AHR	0.9290
279	7WG	0.9286
280	LQ2	0.9286
281	4JC	0.9284
282	3NT	0.9283
283	P92	0.9281
284	SKA	0.9281
285	HBX	0.9281
286	SYN	0.9280
287	12Q	0.9280
288	EKZ	0.9278
289	5LA	0.9278
290	NMJ	0.9278
291	CN0	0.9277
292	TZC	0.9276
293	7WV	0.9275
294	RHU	0.9272
295	3HA	0.9271
296	LCN	0.9270
297	JB8	0.9269
298	LMR	0.9269
299	HHA	0.9269
300	JDN	0.9268
301	HY1	0.9267
302	L99	0.9267
303	6FZ	0.9266
304	4JU	0.9265
305	IV2	0.9264
306	M3H	0.9264
307	PIY	0.9264
308	1DV	0.9263
309	6M9	0.9262
310	FE DB1	0.9262
311	LDP	0.9261
312	2MH	0.9259
313	N2I	0.9258
314	TGX	0.9257
315	ABN	0.9257
316	NDH	0.9257
317	DBH	0.9256
318	3M0	0.9256
319	3F0	0.9255
320	KOJ	0.9255
321	PEA	0.9254
322	KBZ	0.9250
323	1WD	0.9248
324	2RH	0.9248
325	BSX	0.9246
326	ASP	0.9245
327	ASO	0.9244
328	HQT	0.9243
329	PRO	0.9242
330	PMB	0.9241
331	4YO	0.9241
332	NBE	0.9240
333	SHA	0.9238
334	QSH	0.9237
335	PY7	0.9236
336	BRT	0.9236
337	MXN	0.9232
338	PKU	0.9231
339	NOY	0.9231
340	OKG	0.9230
341	SPA	0.9230
342	B57	0.9229
343	IDM	0.9229
344	F05	0.9229
345	3BZ	0.9227
346	JBK	0.9226
347	IND	0.9226
348	2HQ	0.9225
349	BZI	0.9224
350	TP5	0.9221
351	3OC	0.9220
352	FGZ	0.9219
353	2FT	0.9218
354	L14	0.9216
355	RBL	0.9216
356	3SK	0.9215
357	XUL	0.9212
358	282	0.9211
359	HMU	0.9210
360	LDU	0.9210
361	LZ1	0.9210
362	XRG	0.9210
363	PXL	0.9210
364	GOJ	0.9209
365	JBN	0.9208
366	1MR	0.9207
367	54D	0.9205
368	A5E	0.9205
369	FOA	0.9205
370	265	0.9204
371	7N0	0.9204
372	PZI	0.9203
373	268	0.9202
374	MR1	0.9200
375	R8V	0.9200
376	DS0	0.9199
377	SMV	0.9199
378	NOJ	0.9196
379	3MB	0.9194
380	273	0.9193
381	SNO	0.9188
382	JZ5	0.9188
383	IFL	0.9186
384	8K2	0.9186
385	0RW	0.9184
386	24B	0.9183
387	2PC	0.9182
388	KDV	0.9179
389	HIS	0.9179
390	BZF	0.9178
391	FP1	0.9177
392	OVM	0.9177
393	6M4	0.9174
394	ESX	0.9173
395	0R1	0.9172
396	4VY	0.9172
397	G2F	0.9172
398	GYE	0.9171
399	JZ9	0.9169
400	GLC	0.9167
401	2LP	0.9166
402	NSP	0.9166
403	52C	0.9164
404	BML	0.9163
405	15E	0.9162
406	PYC	0.9161
407	3DM	0.9160
408	QY9	0.9159
409	HQE	0.9159
410	PXY	0.9158
411	LG4	0.9157
412	MRZ	0.9155
413	3DO	0.9155
414	FUD	0.9153
415	PCR	0.9153
416	RNO	0.9152
417	ZBT	0.9152
418	RAT	0.9151
419	IFM	0.9151
420	OGA	0.9151
421	OXZ	0.9150
422	UY7	0.9149
423	BGC	0.9148
424	ZZT	0.9146
425	E7S	0.9146
426	J6W	0.9146
427	R8S	0.9144
428	MPI	0.9142
429	OHG	0.9142
430	R2B	0.9140
431	KMT	0.9140
432	25R	0.9140
433	EA1	0.9139
434	4CH	0.9138
435	1DW	0.9136
436	HYP	0.9135
437	0CT	0.9135
438	J9T	0.9132
439	BDP	0.9131
440	GVH	0.9130
441	PCA	0.9130
442	SVN	0.9130
443	9EW	0.9128
444	XYP	0.9128
445	GGL	0.9126
446	ASN	0.9126
447	RIB	0.9125
448	A7W	0.9124
449	PLQ	0.9121
450	9CL	0.9120
451	KJU	0.9120
452	60P	0.9119
453	AEG	0.9119
454	5GU	0.9118
455	2HG	0.9118
456	YPN	0.9115
457	HLR	0.9115
458	LT2	0.9115
459	0JD	0.9115
460	MAE	0.9115
461	SEP	0.9114
462	GLN	0.9114
463	URS	0.9114
464	LXC	0.9114
465	KTJ	0.9113
466	FPN	0.9111
467	DIN	0.9109
468	HSO	0.9109
469	MET	0.9108
470	MRY	0.9105
471	4JP	0.9105
472	A29	0.9104
473	4HS	0.9103
474	1IT	0.9102
475	IF7	0.9102
476	DA1	0.9101
477	8OZ	0.9100
478	258	0.9100
479	JZ3	0.9098
480	1SQ	0.9098
481	MNN	0.9097
482	VNJ	0.9096
483	URO	0.9096
484	PEL	0.9096
485	IXW	0.9096
486	ASC	0.9094
487	QMP	0.9092
488	OXQ	0.9092
489	VNL	0.9091
490	4JN	0.9090
491	GAG	0.9089
492	9CA	0.9088
493	GTR	0.9088
494	PBA	0.9088
495	DGN	0.9087
496	MRW	0.9086
497	G4D	0.9086
498	TH0	0.9086
499	RMN	0.9085
500	9FL	0.9084
501	1LQ	0.9083
502	1DJ	0.9082
503	XBT	0.9082
504	J9N	0.9082
505	ESP	0.9082
506	GAL	0.9081
507	12T	0.9079
508	3BU	0.9075
509	SMN	0.9074
510	DGJ	0.9073
511	LPK	0.9073
512	GRE	0.9069
513	2HC	0.9069
514	1DU	0.9069
515	B85	0.9069
516	7MU	0.9065
517	3QM	0.9064
518	1NP	0.9064
519	KTA	0.9063
520	HCS	0.9062
521	9RW	0.9062
522	5SG	0.9061
523	FPY	0.9061
524	FBV	0.9061
525	HHI	0.9061
526	QWN	0.9060
527	BEA	0.9059
528	NK	0.9056
529	261	0.9056
530	24W	0.9056
531	6M1	0.9056
532	HPS	0.9054
533	GBD	0.9053
534	M45	0.9052
535	4XV	0.9050
536	Q88	0.9050
537	5IQ	0.9049
538	4HP	0.9049
539	9R5	0.9049
540	1MC	0.9048
541	A7N	0.9048
542	NYL	0.9045
543	XLS	0.9045
544	PEP	0.9044
545	DHS	0.9043
546	5Q0	0.9040
547	0BP	0.9040
548	PRS	0.9040
549	PYJ	0.9040
550	ES1	0.9038
551	69O	0.9038
552	I3A	0.9038
553	HSE	0.9037
554	PO6	0.9036
555	ADA	0.9036
556	FBF	0.9035
557	4HM	0.9035
558	QXW	0.9033
559	HQY	0.9032
560	0P6	0.9032
561	ICO	0.9032
562	36E	0.9031
563	4XS	0.9031
564	URP	0.9031
565	SD4	0.9029
566	N5J	0.9029
567	5RN	0.9028
568	L3Q	0.9027
569	KUF	0.9027
570	23A	0.9026
571	ES0	0.9025
572	FB1	0.9025
573	SJ5	0.9025
574	JPZ	0.9025
575	15N	0.9024
576	M6W	0.9023
577	ICF	0.9022
578	4YS	0.9021
579	449	0.9021
580	92K	0.9020
581	R9Y	0.9018
582	0R0	0.9017
583	M6N	0.9016
584	IOL	0.9015
585	GZL	0.9015
586	1P3	0.9014
587	1P7	0.9013
588	E1T	0.9012
589	ILE	0.9012
590	FBJ	0.9012
591	MEV	0.9011
592	FDB	0.9010
593	RNS	0.9010
594	45L	0.9008
595	8CM	0.9007
596	JAB	0.9006
597	TAR	0.9006
598	F31	0.9006
599	069	0.9005
600	A09	0.9005
601	9X7	0.9004
602	6F0	0.9004
603	AZF	0.9004
604	HSM	0.9003
605	CWM	0.9001
606	N2Z	0.9000
607	FA1	0.9000
608	0V5	0.9000
609	2D0	0.8999
610	7HQ	0.8999
611	CWS	0.8999
612	PEQ	0.8997
613	HX2	0.8996
614	TLA	0.8996
615	UFV	0.8995
616	NLE	0.8994
617	SIN	0.8993
618	HH5	0.8993
619	PYD	0.8992
620	M2K	0.8991
621	0FN	0.8990
622	9TZ	0.8989
623	HQJ	0.8988
624	GWM	0.8984
625	AZ9	0.8983
626	82I	0.8983
627	RM1	0.8983
628	Q24	0.8982
629	DGL	0.8981
630	42J	0.8980
631	NCT	0.8980
632	AHB	0.8980
633	SME	0.8979
634	B53	0.8979
635	GCU	0.8978
636	MCT	0.8978
637	IWT	0.8977
638	275	0.8976
639	M5K	0.8975
640	5MH	0.8975
641	51R	0.8974
642	ADE	0.8974
643	MEW	0.8971
644	WOT	0.8970
645	GVG	0.8969
646	URF	0.8968
647	FBW	0.8966
648	XCZ	0.8965
649	JZ2	0.8964
650	TYE	0.8964
651	5XB	0.8963
652	UNJ	0.8962
653	XYD	0.8961
654	152	0.8960
655	5B1	0.8959
656	3SL	0.8959
657	RUY	0.8959
658	5RG	0.8958
659	5JC	0.8958
660	HY3	0.8958
661	9DG	0.8958
662	FUM	0.8956
663	XAZ	0.8954
664	4CL	0.8951
665	BNL	0.8951
666	3HG	0.8951
667	TEO	0.8951
668	AQO	0.8950
669	R8A	0.8950
670	GZ3	0.8950
671	KJH	0.8949
672	J1Z	0.8949
673	MZW	0.8948
674	TDR	0.8948
675	4HO	0.8947
676	L5V	0.8946
677	OW4	0.8946
678	4JJ	0.8946
679	GTQ	0.8945
680	AJ2	0.8945
681	WBU	0.8944
682	43M	0.8944
683	APY	0.8942
684	3PG	0.8942
685	HG3	0.8942
686	A2F	0.8942
687	4XH	0.8941
688	HQD	0.8941
689	AZ8	0.8940
690	XBZ	0.8940
691	2AC	0.8940
692	QIC	0.8939
693	TAG	0.8939
694	BR9	0.8938
695	B24	0.8938
696	BTY	0.8937
697	1Z6	0.8937
698	6KT	0.8937
699	URC	0.8937
700	0CU	0.8937
701	DAS	0.8936
702	K5W	0.8935
703	G3F	0.8932
704	AZA	0.8932
705	10L	0.8931
706	286	0.8931
707	RSF	0.8931
708	34A	0.8929
709	0VT	0.8929
710	TZE	0.8929
711	7B4	0.8928
712	3FH	0.8927
713	ICP	0.8926
714	SLS	0.8926
715	K97	0.8926
716	2MP	0.8925
717	13P	0.8925
718	2BX	0.8925
719	MWJ	0.8923
720	2ZV	0.8921
721	5UC	0.8919
722	HH8	0.8918
723	XXG	0.8918
724	5JQ	0.8917
725	R9S	0.8917
726	NF3	0.8916
727	PE0	0.8916
728	5MK	0.8915
729	39O	0.8914
730	F1A	0.8913
731	DX4	0.8913
732	X6X	0.8912
733	5M0	0.8911
734	4ZE	0.8911
735	5RO	0.8911
736	GXY	0.8909
737	4BY	0.8908
738	54G	0.8907
739	MWM	0.8906
740	Z13	0.8906
741	GUN	0.8906
742	SOE	0.8905
743	PG3	0.8905
744	SX1	0.8904
745	6TZ	0.8904
746	AES	0.8904
747	9YL	0.8904
748	CH9	0.8904
749	2QC	0.8902
750	HPA	0.8902
751	YH7	0.8902
752	GCS	0.8901
753	6CS	0.8901
754	8WT	0.8900
755	A1U	0.8900
756	4SD	0.8900
757	KMH	0.8900
758	27Y	0.8899
759	XAN	0.8899
760	ORO	0.8898
761	TWO	0.8897
762	3XX	0.8897
763	75K	0.8896
764	GLY GLY	0.8896
765	6MP	0.8896
766	141	0.8896
767	B55	0.8895
768	MAJ	0.8895
769	GXL	0.8895
770	MZG	0.8895
771	1XM	0.8894
772	OXC	0.8893
773	2AL	0.8893
774	F4K	0.8892
775	DHI	0.8892
776	BP1	0.8889
777	N8Y	0.8887
778	TCA	0.8887
779	ADZ	0.8885
780	F81	0.8885
781	3IT	0.8885
782	TLD	0.8884
783	2PG	0.8884
784	4HC	0.8884
785	AGK	0.8881
786	IUR	0.8880
787	44W	0.8880
788	RBJ	0.8880
789	MPV	0.8880
790	R20	0.8880
791	92P	0.8879
792	GIF	0.8879
793	ESI	0.8878
794	42A	0.8876
795	7VP	0.8876
796	Z5P	0.8876
797	2YU	0.8876
798	1LM	0.8875
799	HT4	0.8875
800	CFP	0.8874
801	AN3	0.8874
802	4BL	0.8874
803	TM7	0.8874
804	HX4	0.8873
805	OHP	0.8873
806	8S0	0.8873
807	6AP	0.8872
808	IGA	0.8872
809	JBH	0.8871
810	4JO	0.8871
811	1A7	0.8871
812	PH3	0.8871
813	F0J	0.8870
814	2EC	0.8869
815	0TR	0.8869
816	BNF	0.8867
817	IDH	0.8866
818	2F6	0.8865
819	SPV	0.8864
820	1CO	0.8863
821	GLA	0.8862
822	TFB	0.8862
823	O72	0.8861
824	GAF	0.8861
825	4TU	0.8860
826	149	0.8860
827	ALL	0.8859
828	D1X	0.8859
829	3ZB	0.8858
830	9DA	0.8857
831	S7J	0.8856
832	GIV	0.8856
833	PHE	0.8856
834	BCP	0.8854
835	4P0	0.8854
836	QBK	0.8854
837	1KP	0.8852
838	KT7	0.8852
839	DVQ	0.8851
840	PRA	0.8849
841	7WA	0.8847
842	QWW	0.8846
843	1HN	0.8844
844	4RU	0.8844
845	GJP	0.8843
846	428	0.8842
847	EN1	0.8842
848	V55	0.8841
849	LGC	0.8841
850	EQT	0.8841
851	LZM	0.8840
852	AJV	0.8840
853	9FE	0.8840
854	GP9	0.8840
855	H62	0.8840
856	9ZE	0.8839
857	GCB	0.8839
858	FDR	0.8838
859	271	0.8838
860	2CQ	0.8838
861	KJY	0.8837
862	MAH	0.8836
863	2FG	0.8835
864	INE	0.8834
865	QX2	0.8834
866	FUL	0.8834
867	OTW	0.8832
868	290	0.8830
869	CRN	0.8830
870	1LN	0.8829
871	8TX	0.8828
872	AZG	0.8828
873	OVP	0.8827
874	Q02	0.8827
875	6GU	0.8826
876	7HP	0.8825
877	6ME	0.8825
878	2LY	0.8824
879	C2Y	0.8824
880	SOR	0.8824
881	MNM	0.8824
882	0N7	0.8824
883	DTU	0.8823
884	23J	0.8822
885	B62	0.8822
886	8XL	0.8821
887	PA1	0.8821
888	DHY	0.8821
889	4NZ	0.8820
890	NID	0.8819
891	WOO	0.8819
892	150	0.8819
893	XYS	0.8819
894	SWA	0.8816
895	LR5	0.8816
896	FK8	0.8815
897	EVA	0.8813
898	2H5	0.8812
899	FDK	0.8812
900	XHP	0.8811
901	PGH	0.8811
902	EUG	0.8810
903	M1Q	0.8810
904	DQU	0.8809
905	JFJ	0.8809
906	NQ	0.8808
907	DHQ	0.8807
908	PJW	0.8806
909	PM6	0.8804
910	2AK	0.8803
911	GLL	0.8803
912	Q07	0.8801
913	5JL	0.8801
914	1DQ	0.8800
915	HA5	0.8800
916	AM4	0.8799
917	VK3	0.8798
918	CXP	0.8798
919	FCA	0.8797
920	0W8	0.8796
921	BOA	0.8795
922	J9W	0.8795
923	PRY	0.8794
924	9HX	0.8793
925	3V4	0.8793
926	KYD	0.8793
927	3Z8	0.8792
928	PQK	0.8792
929	CSS	0.8792
930	P3K	0.8789
931	FBT	0.8789
932	86L	0.8789
933	1WG	0.8788
934	PQ0	0.8788
935	H4E	0.8787
936	MAK	0.8786
937	FH2	0.8785
938	0F9	0.8785
939	23W	0.8784
940	G6D	0.8783
941	1GN	0.8782
942	KIV	0.8782
943	DOR	0.8781
944	ES4	0.8781
945	JND	0.8778
946	PMF	0.8777
947	PRF	0.8775
948	APG	0.8775
949	JG8	0.8775
950	DFB	0.8774
951	ONR	0.8774
952	G3H	0.8772
953	G3P	0.8772
954	RXA	0.8771
955	0FO	0.8771
956	I4B	0.8769
957	Y8I	0.8766
958	Q6T	0.8764
959	MAN	0.8764
960	JZ1	0.8762
961	YIO	0.8761
962	XIZ	0.8760
963	EVF	0.8759
964	A7H	0.8758
965	3W8	0.8758
966	FUC	0.8756
967	37T	0.8756
968	CTS	0.8753
969	PPY	0.8753
970	QX4	0.8753
971	45C	0.8753
972	CEE	0.8750
973	FHC	0.8750
974	2AS	0.8749
975	XDE	0.8749
976	HDA	0.8748
977	PD2	0.8746
978	HCI	0.8744
979	LEU	0.8742
980	51F	0.8741
981	4JE	0.8740
982	DFU	0.8740
983	N3W	0.8738
984	4CM	0.8737
985	TTY	0.8737
986	27B	0.8736
987	7CZ	0.8735
988	4M4	0.8734
989	KTW	0.8733
990	44V	0.8732
991	BTE	0.8731
992	X0U	0.8731
993	2FQ	0.8728
994	MVN	0.8728
995	F4Z	0.8728
996	RIP	0.8727
997	VXX	0.8726
998	FA3	0.8725
999	QOS	0.8720
1000	PC	0.8719
1001	0MK	0.8718
1002	PGA	0.8717
1003	IAC	0.8713
1004	JIF	0.8712
1005	ZYX	0.8712
1006	E4P	0.8711
1007	T2C	0.8709
1008	8IG	0.8707
1009	DRL	0.8707
1010	NAG	0.8707
1011	MUA	0.8705
1012	MT0	0.8704
1013	PDC	0.8704
1014	ABE	0.8704
1015	AKH	0.8703
1016	PYQ	0.8702
1017	HJP	0.8702
1018	TOF	0.8701
1019	42C	0.8700
1020	MBG	0.8700
1021	7WR	0.8698
1022	TC7	0.8698
1023	8NB	0.8697
1024	IZC	0.8696
1025	DTL	0.8694
1026	IP0	0.8693
1027	TT4	0.8693
1028	4MU	0.8691
1029	M4E	0.8691
1030	7NI	0.8690
1031	SHG	0.8689
1032	JFD	0.8688
1033	680	0.8687
1034	T6C	0.8686
1035	NVI	0.8685
1036	PRZ	0.8683
1037	4LW	0.8683
1038	32X	0.8682
1039	A13	0.8680
1040	DBX	0.8680
1041	EYK	0.8673
1042	JF6	0.8671
1043	MWP	0.8669
1044	PXM	0.8669
1045	FOT	0.8666
1046	UNC	0.8665
1047	SWD	0.8661
1048	CIT	0.8661
1049	SVD	0.8660
1050	HVQ	0.8659
1051	TSS	0.8657
1052	ZYR	0.8657
1053	GF4	0.8657
1054	495	0.8656
1055	PEY	0.8655
1056	25W	0.8654
1057	BVG	0.8651
1058	BVC	0.8649
1059	OQC	0.8648
1060	DIU	0.8647
1061	T9G	0.8646
1062	ARB	0.8646
1063	7MH	0.8645
1064	KBB	0.8644
1065	SR1	0.8644
1066	C2A	0.8643
1067	ECE	0.8643
1068	0W1	0.8641
1069	MZ0	0.8639
1070	1XN	0.8636
1071	P4B	0.8636
1072	PYG	0.8635
1073	CCU	0.8633
1074	GO2	0.8632
1075	7ME	0.8630
1076	SRO	0.8628
1077	3QV	0.8627
1078	SC2	0.8627
1079	RUU	0.8624
1080	AJY	0.8623
1081	HZQ	0.8621
1082	47J	0.8620
1083	JBQ	0.8619
1084	VAL	0.8618
1085	BZJ	0.8616
1086	535	0.8616
1087	36M	0.8614
1088	MZB	0.8609
1089	4XX	0.8609
1090	PPT	0.8608
1091	ACA	0.8607
1092	IJZ	0.8606
1093	C2U	0.8605
1094	S76	0.8603
1095	3HP	0.8599
1096	8W9	0.8598
1097	R67	0.8597
1098	F12	0.8596
1099	3WA	0.8595
1100	A65	0.8589
1101	FBU	0.8588
1102	TEP	0.8587
1103	25T	0.8586
1104	6VD	0.8585
1105	4I8	0.8584
1106	2DR	0.8583
1107	YZM	0.8583
1108	OMD	0.8582
1109	GNM	0.8580
1110	S0E	0.8580
1111	GIO	0.8578
1112	GXE	0.8578
1113	0OC	0.8577
1114	DEE	0.8576
1115	M0W	0.8576
1116	7VS	0.8576
1117	EXD	0.8575
1118	DNF	0.8575
1119	1L5	0.8574
1120	FLA	0.8574
1121	1DH	0.8572
1122	4ZC	0.8570
1123	CYH	0.8568
1124	1WC	0.8567
1125	HAI	0.8565
1126	DQY	0.8564
1127	M1E	0.8559
1128	PH2	0.8553
1129	3RK	0.8553
1130	MZT	0.8550
1131	MLI	0.8550
1132	CXL	0.8544
1133	4ME	0.8541
1134	9TY	0.8538
1135	N4E	0.8537
1136	JU2	0.8534
1137	F5B	0.8533
1138	HHR	0.8513
1139	7MX	0.8504

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

Pocket No.: 1; Query (leader) PDB : 4DO1; Ligand: ANN; 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: 4do1.bio3) has 12 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4DO1; Ligand: ANN; 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: 4do1.bio1) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 4DO1; Ligand: ANN; 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: 4do1.bio4) has 11 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 4DO1; Ligand: ANN; 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: 4do1.bio2) has 12 residues
No:	Leader PDB	Ligand	Sequence Similarity

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