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Showing PDB: 4DUX

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Receptor | Ligand | View in 3D

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

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      Structure Biounit | Ligand Information

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Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4DUX	2.3 Å	EC: 3.2.1.23	E. COLI (LACZ) BETA-GALACTOSIDASE (N460S) IN COMPLEX WITH L-	ESCHERICHIA COLI	BI-FUNCTIONAL ENZYME ALLOLACTOSE SYNTHESIS TIM BARREL (ALPBARREL) JELLY-ROLL BARREL IMMUNOGLOBULIN BETA SUPERSANDWBETA-GALACTOSIDASE GLYCOSIDASE HYDROLASE
Ref.:	STRUCTURAL EXPLANATION FOR ALLOLACTOSE (LAC OPERON SYNTHESIS BY LACZ BETA-GALACTOSIDASE AND THE EVOLUT RELATIONSHIP BETWEEN ALLOLACTOSE SYNTHESIS AND THE REPRESSOR. J.BIOL.CHEM. V. 288 12993 2013

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
DMS	D:8004; C:8007; A:8002; C:8008; A:8009; C:8005; A:8003; C:8001; C:8015; C:8013; D:8006; C:8014; B:8006; B:8014; D:8012; D:8018; D:8015; A:8014; D:8014; D:8009; C:8004; D:8002; A:8006; D:8005; D:8017; A:8016; A:8004; B:8005; B:8008; B:8003; A:8011; D:8013; D:8008; D:8010; A:8013; C:8006; A:8007; B:8001; A:8012; B:8002; C:8009; B:8007; B:8011; A:8001; C:8012; B:8010; C:8011; A:8005; B:8009; B:8012; D:8011; A:8018; C:8003; B:8004; A:8017; A:8008; D:8007; C:8010; C:8002; D:8003; A:8010; D:8001; A:8015; D:8016; B:8013;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none;	submit data		78.133	C2 H6 O S	CS(=O...
NA	D:3101; D:3103; A:3102; B:3101; B:3104; A:3103; C:3102; B:3102; B:3103; C:3101; C:3104; D:3102; C:3103; A:3101;	Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein;	none; none; none; none; none; none; none; none; none; none; none; none; none; none;	submit data		22.99	Na	[Na+]
MG	A:3002; B:3001; A:3001; B:3002; C:3002; D:3002; D:3001; C:3001;	Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein; Part of Protein;	none; none; none; none; none; none; none; none;	submit data		24.305	Mg	[Mg+2...
0MK	D:2002; B:2003; B:2002; D:2001; C:2002; C:2001; B:2001; A:2001; A:2002;	Valid; Invalid; Valid; Valid; Valid; Valid; Valid; Valid; Valid;	none; none; none; none; none; none; none; none; none;	submit data		150.13	C5 H10 O5	C1[C@...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3VDB	2.05 Å	EC: 3.2.1.23	E. COLI (LACZ) BETA-GALACTOSIDASE (N460T) IN COMPLEX WITH GALACTONOLACTONE	ESCHERICHIA COLI	TRANSITION STATE STABILIZATION SUBSTRATE BINDING 2-STAGE BTIM BARREL (ALPHA/BETA BARREL) JELLY-ROLL BARREL IMMUNOGLBETA SUPERSANDWICH GLYCOSIDASE HYDROLASE
Ref.:	SUBSTITUTION FOR ASN460 CRIPPLES {BETA}-GALACTOSIDA (ESCHERICHIA COLI) BY INCREASING SUBSTRATE AFFINITY DECREASING TRANSITION STATE STABILITY. ARCH.BIOCHEM.BIOPHYS. V. 521 51 2012

Members (23)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 15 families.
1	3T08	Ki = 0.91 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
2	3I3B	Ki = 5.9 mM	149	C6 H10 O6	C([C@@H]1[....
3	1JYW	-	147	C12 H15 N O8	c1cc(ccc1[....
4	3VD9	Ki = 0.1 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
5	3T09	Ki = 0.16 mM	149	C6 H10 O6	C([C@@H]1[....
6	3T2Q	Ki = 0.22 mM	149	C6 H10 O6	C([C@@H]1[....
7	1JYN	-	BGC GAL	n/a	n/a
8	1JZ7	Ki ~ 400 mM	GAL	C6 H12 O6	C([C@@H]1[....
9	3CZJ	-	149	C6 H10 O6	C([C@@H]1[....
10	3VDB	Ki = 3.03 mM	149	C6 H10 O6	C([C@@H]1[....
11	3T0D	Ki = 4.3 mM	149	C6 H10 O6	C([C@@H]1[....
12	1JZ8	-	TAR	C4 H6 O6	[C@H]([C@@....
13	1PX4	Ki = 0.59 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
14	4DUW	-	BGC GAL	n/a	n/a
15	3T0B	Ki = 0.05 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
16	1JZ5	-	149	C6 H10 O6	C([C@@H]1[....
17	1JYV	-	145	C12 H15 N O8	c1ccc(c(c1....
18	1JYX	-	IPT	C9 H18 O5 S	CC(C)S[C@H....
19	1JZ6	-	GTZ	C6 H10 N4 O4	C([C@@H]1[....
20	3VD4	Ki = 0.015 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
21	4DUX	-	0MK	C5 H10 O5	C1[C@@H]([....
22	3I3D	Ki = 10.3 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
23	3DYO	Ki = 5 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....

70% Homology Family (23)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 12 families.
1	3T08	Ki = 0.91 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
2	3I3B	Ki = 5.9 mM	149	C6 H10 O6	C([C@@H]1[....
3	1JYW	-	147	C12 H15 N O8	c1cc(ccc1[....
4	3VD9	Ki = 0.1 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
5	3T09	Ki = 0.16 mM	149	C6 H10 O6	C([C@@H]1[....
6	3T2Q	Ki = 0.22 mM	149	C6 H10 O6	C([C@@H]1[....
7	1JYN	-	BGC GAL	n/a	n/a
8	1JZ7	Ki ~ 400 mM	GAL	C6 H12 O6	C([C@@H]1[....
9	3CZJ	-	149	C6 H10 O6	C([C@@H]1[....
10	3VDB	Ki = 3.03 mM	149	C6 H10 O6	C([C@@H]1[....
11	3T0D	Ki = 4.3 mM	149	C6 H10 O6	C([C@@H]1[....
12	1JZ8	-	TAR	C4 H6 O6	[C@H]([C@@....
13	1PX4	Ki = 0.59 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
14	4DUW	-	BGC GAL	n/a	n/a
15	3T0B	Ki = 0.05 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
16	1JZ5	-	149	C6 H10 O6	C([C@@H]1[....
17	1JYV	-	145	C12 H15 N O8	c1ccc(c(c1....
18	1JYX	-	IPT	C9 H18 O5 S	CC(C)S[C@H....
19	1JZ6	-	GTZ	C6 H10 N4 O4	C([C@@H]1[....
20	3VD4	Ki = 0.015 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
21	4DUX	-	0MK	C5 H10 O5	C1[C@@H]([....
22	3I3D	Ki = 10.3 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
23	3DYO	Ki = 5 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....

50% Homology Family (23)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 10 families.
1	3T08	Ki = 0.91 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
2	3I3B	Ki = 5.9 mM	149	C6 H10 O6	C([C@@H]1[....
3	1JYW	-	147	C12 H15 N O8	c1cc(ccc1[....
4	3VD9	Ki = 0.1 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
5	3T09	Ki = 0.16 mM	149	C6 H10 O6	C([C@@H]1[....
6	3T2Q	Ki = 0.22 mM	149	C6 H10 O6	C([C@@H]1[....
7	1JYN	-	BGC GAL	n/a	n/a
8	1JZ7	Ki ~ 400 mM	GAL	C6 H12 O6	C([C@@H]1[....
9	3CZJ	-	149	C6 H10 O6	C([C@@H]1[....
10	3VDB	Ki = 3.03 mM	149	C6 H10 O6	C([C@@H]1[....
11	3T0D	Ki = 4.3 mM	149	C6 H10 O6	C([C@@H]1[....
12	1JZ8	-	TAR	C4 H6 O6	[C@H]([C@@....
13	1PX4	Ki = 0.59 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
14	4DUW	-	BGC GAL	n/a	n/a
15	3T0B	Ki = 0.05 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
16	1JZ5	-	149	C6 H10 O6	C([C@@H]1[....
17	1JYV	-	145	C12 H15 N O8	c1ccc(c(c1....
18	1JYX	-	IPT	C9 H18 O5 S	CC(C)S[C@H....
19	1JZ6	-	GTZ	C6 H10 N4 O4	C([C@@H]1[....
20	3VD4	Ki = 0.015 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
21	4DUX	-	0MK	C5 H10 O5	C1[C@@H]([....
22	3I3D	Ki = 10.3 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....
23	3DYO	Ki = 5 mM	IPT	C9 H18 O5 S	CC(C)S[C@H....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: 0MK; Similar ligands found: 10

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	64K	1	1
2	RIP	1	1
3	HSY	1	1
4	XYS	1	1
5	LXC	1	1
6	0MK	1	1
7	XYP	1	1
8	SEJ	1	1
9	ARA	1	1
10	ARB	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: 0MK; Similar ligands found: 1047

No:	Ligand	Similarity coefficient
1	FCA	0.9846
2	URF	0.9746
3	PYG	0.9741
4	WBU	0.9736
5	RM4	0.9726
6	FCB	0.9700
7	DGJ	0.9698
8	RNS	0.9692
9	CAQ	0.9665
10	IF7	0.9657
11	ICP	0.9652
12	PYD	0.9652
13	TDR	0.9648
14	3MC	0.9645
15	MCT	0.9645
16	XBZ	0.9644
17	1MC	0.9641
18	XYD	0.9637
19	A1U	0.9622
20	QOS	0.9622
21	2AC	0.9621
22	GAL	0.9620
23	275	0.9611
24	34A	0.9610
25	RIB	0.9608
26	2MP	0.9608
27	JZ2	0.9605
28	4HO	0.9602
29	FUC	0.9601
30	FPY	0.9600
31	7CZ	0.9598
32	43M	0.9596
33	5MH	0.9595
34	4ZE	0.9593
35	4CL	0.9593
36	MWM	0.9590
37	GIF	0.9590
38	4JJ	0.9588
39	YTB	0.9586
40	TH0	0.9584
41	5UC	0.9582
42	Z6J	0.9577
43	AGK	0.9577
44	0TR	0.9572
45	FYU	0.9567
46	NOJ	0.9566
47	G6D	0.9564
48	ASO	0.9562
49	FLM	0.9547
50	MZG	0.9547
51	BR9	0.9546
52	27Y	0.9539
53	23A	0.9534
54	BEW	0.9533
55	2YU	0.9531
56	4JO	0.9528
57	FFP	0.9526
58	RAM	0.9526
59	TM7	0.9525
60	GLC	0.9522
61	YHO	0.9518
62	34V	0.9517
63	G2F	0.9517
64	MBD	0.9514
65	3FA	0.9512
66	GMN	0.9510
67	3RK	0.9506
68	MWJ	0.9505
69	5JC	0.9505
70	HT4	0.9504
71	HPA	0.9501
72	2MY	0.9500
73	AHR	0.9497
74	2C9	0.9491
75	BTE	0.9485
76	LCN	0.9481
77	DFU	0.9478
78	3ZQ	0.9478
79	ADE	0.9477
80	GLA	0.9476
81	JZ3	0.9476
82	SWD	0.9473
83	9HX	0.9471
84	3CE	0.9469
85	9DA	0.9460
86	ABE	0.9459
87	TLD	0.9455
88	IDH	0.9449
89	DFB	0.9447
90	OXE	0.9446
91	8H8	0.9445
92	JFD	0.9443
93	IFL	0.9440
94	7HP	0.9439
95	FUL	0.9438
96	XXR	0.9438
97	2FG	0.9435
98	NK	0.9434
99	IUR	0.9434
100	4XR	0.9434
101	0R0	0.9432
102	26D	0.9428
103	DUB	0.9427
104	2CM	0.9427
105	JIF	0.9427
106	67N	0.9426
107	X6X	0.9426
108	ALL	0.9425
109	7WA	0.9424
110	ES4	0.9423
111	1XX	0.9422
112	10L	0.9420
113	JZ0	0.9418
114	6MP	0.9418
115	2H5	0.9412
116	6MH	0.9410
117	82I	0.9410
118	BP1	0.9407
119	M1A	0.9407
120	2CH	0.9406
121	1GN	0.9404
122	149	0.9402
123	93Q	0.9400
124	1AN	0.9397
125	NOY	0.9395
126	7MH	0.9395
127	URA	0.9395
128	3MH	0.9394
129	PM6	0.9394
130	ZZT	0.9392
131	IFM	0.9391
132	DEN	0.9391
133	2AF	0.9390
134	TM4	0.9389
135	L89	0.9389
136	Y8I	0.9389
137	FUF	0.9388
138	SAL	0.9386
139	2XX	0.9385
140	GAF	0.9385
141	8LG	0.9384
142	HMH	0.9384
143	CRS	0.9381
144	FP2	0.9379
145	92Z	0.9379
146	T6C	0.9379
147	ADK	0.9376
148	AZF	0.9375
149	INS	0.9372
150	40O	0.9372
151	YIO	0.9369
152	1PT	0.9368
153	2CK	0.9366
154	76X	0.9365
155	0CT	0.9362
156	OXZ	0.9361
157	39A	0.9360
158	24B	0.9359
159	25W	0.9358
160	GRE	0.9358
161	0R1	0.9357
162	GVH	0.9354
163	HTS	0.9351
164	JZ9	0.9350
165	GIO	0.9350
166	1WG	0.9346
167	BZF	0.9346
168	MBG	0.9345
169	5SG	0.9342
170	O72	0.9342
171	3MA	0.9341
172	286	0.9340
173	IND	0.9340
174	ES1	0.9340
175	MSN	0.9339
176	HMU	0.9339
177	L3Q	0.9338
178	6HQ	0.9338
179	JPZ	0.9336
180	4YS	0.9336
181	HFB	0.9335
182	4JP	0.9335
183	1LQ	0.9335
184	1LM	0.9335
185	CGB	0.9334
186	NSP	0.9334
187	EXO	0.9333
188	N5J	0.9333
189	BZI	0.9331
190	35C	0.9331
191	IDM	0.9331
192	HQY	0.9330
193	GOO	0.9327
194	F05	0.9327
195	HPY	0.9327
196	1NP	0.9325
197	3XX	0.9324
198	MPI	0.9323
199	5IQ	0.9323
200	3Z7	0.9323
201	5Q0	0.9320
202	JZ1	0.9319
203	6F0	0.9318
204	LZ1	0.9317
205	4CH	0.9316
206	BZX	0.9315
207	KYD	0.9314
208	BGC	0.9313
209	R8A	0.9313
210	HH8	0.9311
211	G3F	0.9311
212	JBH	0.9310
213	7B4	0.9309
214	94B	0.9308
215	BBF	0.9308
216	1SQ	0.9308
217	AFR	0.9307
218	B53	0.9307
219	ICC	0.9307
220	ECE	0.9305
221	PAF	0.9305
222	3U4	0.9304
223	PXM	0.9302
224	938	0.9301
225	TH7	0.9296
226	4PW	0.9295
227	9EW	0.9291
228	BCF	0.9291
229	LGC	0.9291
230	ISE	0.9290
231	YAN	0.9289
232	948	0.9286
233	GLF	0.9285
234	Q88	0.9285
235	DQN	0.9284
236	HBA	0.9284
237	QUZ	0.9282
238	P3K	0.9281
239	HGQ	0.9281
240	RSF	0.9280
241	BE2	0.9279
242	ARW	0.9278
243	KOJ	0.9278
244	4JU	0.9278
245	TMT	0.9277
246	NPY	0.9277
247	F81	0.9275
248	HLR	0.9275
249	2ZV	0.9272
250	150	0.9272
251	MLT	0.9272
252	ADZ	0.9268
253	MAN	0.9268
254	KKN	0.9267
255	MFB	0.9266
256	DMJ	0.9266
257	4DX	0.9265
258	SVN	0.9265
259	OXQ	0.9264
260	1DW	0.9264
261	6M4	0.9263
262	ES6	0.9263
263	7W4	0.9261
264	FUB	0.9260
265	4XH	0.9258
266	TMZ	0.9257
267	HX3	0.9257
268	FPN	0.9251
269	BDR	0.9251
270	SOE	0.9250
271	6AI	0.9250
272	3WA	0.9249
273	PXL	0.9247
274	260	0.9246
275	PA1	0.9246
276	ISN	0.9243
277	FH2	0.9242
278	SRT	0.9242
279	MNM	0.9238
280	BML	0.9238
281	9DG	0.9237
282	KBG	0.9236
283	R2B	0.9235
284	GAG	0.9235
285	24W	0.9232
286	F5B	0.9231
287	R1X	0.9231
288	UEG	0.9230
289	TAR	0.9228
290	GCS	0.9227
291	JBQ	0.9226
292	ES7	0.9226
293	2MH	0.9226
294	RCO	0.9225
295	5H1	0.9225
296	LDU	0.9224
297	IMR	0.9223
298	270	0.9223
299	PLQ	0.9222
300	14O	0.9222
301	FDK	0.9220
302	I1N	0.9219
303	3DM	0.9219
304	1AB	0.9218
305	2CQ	0.9217
306	PAV	0.9215
307	XQ0	0.9215
308	6LW	0.9214
309	H3M	0.9214
310	CYT	0.9214
311	F60	0.9214
312	2K4	0.9214
313	AX7	0.9214
314	6X8	0.9213
315	94N	0.9212
316	EQT	0.9212
317	P92	0.9212
318	5WV	0.9211
319	JAE	0.9207
320	GUN	0.9206
321	0RW	0.9205
322	8S0	0.9205
323	284	0.9203
324	ES0	0.9203
325	5MB	0.9202
326	SKG	0.9202
327	6UA	0.9201
328	MAK	0.9200
329	RP7	0.9200
330	ASC	0.9199
331	VNJ	0.9199
332	9TY	0.9198
333	DAB	0.9198
334	LMR	0.9198
335	3M0	0.9198
336	CWM	0.9197
337	KPL	0.9196
338	IBF	0.9196
339	2MI	0.9196
340	LG3	0.9195
341	5CU	0.9195
342	KJY	0.9194
343	EDG	0.9193
344	5MI	0.9193
345	FPI	0.9193
346	BDF	0.9192
347	LG4	0.9192
348	32O	0.9191
349	RUU	0.9188
350	THE	0.9185
351	HQE	0.9185
352	4ZC	0.9185
353	3F0	0.9179
354	J1Z	0.9178
355	45C	0.9178
356	1XN	0.9175
357	LG5	0.9174
358	5AC	0.9173
359	FE DB1	0.9173
360	3HA	0.9172
361	BVF	0.9171
362	SHG	0.9170
363	PXY	0.9170
364	3CH	0.9168
365	DIE	0.9166
366	OAA	0.9164
367	PCR	0.9164
368	DBH	0.9163
369	LRH	0.9162
370	XAN	0.9160
371	8GF	0.9159
372	DA1	0.9159
373	DUC	0.9156
374	RB5	0.9156
375	3DO	0.9152
376	CIG	0.9152
377	285	0.9150
378	VAL	0.9149
379	ES9	0.9148
380	6M9	0.9146
381	AZA	0.9144
382	TBP	0.9142
383	JBE	0.9141
384	3DY	0.9140
385	F3B	0.9139
386	11S	0.9139
387	G4D	0.9137
388	F4Z	0.9136
389	GBD	0.9135
390	ASP	0.9135
391	282	0.9135
392	XM0	0.9133
393	12M	0.9133
394	TC7	0.9133
395	25R	0.9133
396	ABV	0.9133
397	TNE	0.9133
398	HY3	0.9131
399	ALO	0.9131
400	CFP	0.9128
401	NCA	0.9128
402	TLA	0.9127
403	GYE	0.9127
404	4VP	0.9125
405	IPH	0.9125
406	FA0	0.9123
407	ASN	0.9122
408	ILE	0.9122
409	DOB	0.9121
410	KJH	0.9120
411	12Q	0.9118
412	6M1	0.9118
413	A2F	0.9117
414	47J	0.9116
415	1WD	0.9116
416	JKE	0.9114
417	HH5	0.9113
418	8EZ	0.9112
419	3V4	0.9111
420	GXL	0.9110
421	FPK	0.9110
422	HEW	0.9109
423	PFB	0.9108
424	G5V	0.9108
425	NEQ	0.9108
426	V55	0.9105
427	4XX	0.9104
428	4H2	0.9104
429	6AP	0.9103
430	HBX	0.9103
431	FLA	0.9101
432	4JN	0.9101
433	5NU	0.9100
434	M3T	0.9099
435	WDL	0.9099
436	ABN	0.9099
437	PCI	0.9097
438	FX1	0.9096
439	SJ5	0.9096
440	BEZ	0.9096
441	6GU	0.9094
442	N8P	0.9093
443	PBE	0.9093
444	2DR	0.9092
445	IGA	0.9091
446	4HS	0.9090
447	AMC	0.9090
448	SYN	0.9089
449	URQ	0.9088
450	290	0.9088
451	H4N	0.9087
452	I2M	0.9087
453	BEN	0.9087
454	4SV	0.9086
455	HQT	0.9086
456	DX4	0.9084
457	XLS	0.9083
458	KIV	0.9083
459	5QX	0.9083
460	ITN	0.9083
461	B3R	0.9081
462	SWA	0.9080
463	4HM	0.9080
464	YH7	0.9080
465	FK1	0.9080
466	DIG	0.9078
467	7W1	0.9078
468	3SK	0.9077
469	6KX	0.9075
470	BR8	0.9073
471	DTL	0.9073
472	XUL	0.9071
473	GTQ	0.9070
474	AZG	0.9069
475	SVJ	0.9067
476	MFU	0.9066
477	MRY	0.9064
478	NMJ	0.9064
479	CXL	0.9064
480	NDH	0.9063
481	WOO	0.9062
482	4M0	0.9061
483	60P	0.9060
484	BHO	0.9059
485	NBZ	0.9059
486	GLU	0.9058
487	MZB	0.9057
488	2A9	0.9054
489	1XM	0.9053
490	B57	0.9051
491	HHA	0.9050
492	2D0	0.9049
493	CAE	0.9049
494	3IT	0.9046
495	BMA	0.9045
496	2GS	0.9045
497	CYH	0.9044
498	I3A	0.9043
499	MRZ	0.9042
500	HJP	0.9041
501	MMA	0.9041
502	KSW	0.9041
503	WTZ	0.9039
504	SF6	0.9039
505	F0J	0.9038
506	7HQ	0.9038
507	O7U	0.9038
508	GTR	0.9037
509	BHA	0.9037
510	141	0.9036
511	03V	0.9036
512	2IM	0.9034
513	N7P	0.9033
514	THR	0.9033
515	5RG	0.9032
516	MB3	0.9032
517	HSE	0.9031
518	VAH	0.9029
519	AX2	0.9029
520	ET2	0.9029
521	CTL	0.9026
522	3SL	0.9025
523	CRN	0.9024
524	8NY	0.9022
525	4M4	0.9022
526	EUG	0.9022
527	URP	0.9021
528	DZX	0.9020
529	ZXD	0.9020
530	3ID	0.9019
531	A2Q	0.9019
532	6CS	0.9018
533	5M0	0.9018
534	RBL	0.9018
535	FRU	0.9017
536	FDB	0.9017
537	7WV	0.9014
538	URC	0.9013
539	PZA	0.9011
540	PTO	0.9008
541	BTY	0.9007
542	COU	0.9006
543	DHB	0.9006
544	7VJ	0.9004
545	IOL	0.9004
546	QFH	0.9002
547	BOA	0.9001
548	4AA	0.8999
549	13X	0.8998
550	SF9	0.8998
551	A7W	0.8998
552	ADA	0.8998
553	5WX	0.8997
554	5AN	0.8997
555	1MR	0.8997
556	PSV	0.8996
557	DMD	0.8994
558	7D2	0.8993
559	280	0.8992
560	PYF	0.8990
561	NCM	0.8990
562	HZQ	0.8989
563	BAM	0.8989
564	2AQ	0.8988
565	BDP	0.8987
566	0CU	0.8986
567	CEJ	0.8985
568	BCP	0.8984
569	CN0	0.8983
570	AKB	0.8982
571	2A7	0.8981
572	HIO	0.8981
573	95Z	0.8980
574	3AY	0.8979
575	8TX	0.8979
576	HHQ	0.8978
577	4NC	0.8978
578	CAM	0.8978
579	HAI	0.8978
580	717	0.8976
581	JB5	0.8976
582	B0D	0.8975
583	DBJ	0.8975
584	54G	0.8975
585	2LP	0.8975
586	SFU	0.8973
587	36R	0.8970
588	HCS	0.8970
589	2ZX	0.8969
590	4FS	0.8969
591	NIO	0.8969
592	MT0	0.8968
593	5VM	0.8968
594	TMH	0.8967
595	NBE	0.8964
596	CLW	0.8964
597	NK2	0.8964
598	FBT	0.8963
599	6PC	0.8963
600	PRO	0.8961
601	B55	0.8958
602	QSC	0.8958
603	H76	0.8957
604	5DI	0.8955
605	AC5	0.8954
606	1P7	0.8953
607	XX2	0.8953
608	FP1	0.8952
609	MBN	0.8952
610	9PO	0.8952
611	SPV	0.8952
612	PEP	0.8952
613	98J	0.8951
614	ES5	0.8951
615	HXX	0.8950
616	GIV	0.8950
617	P9P	0.8950
618	BSX	0.8949
619	APY	0.8949
620	1P8	0.8949
621	HRZ	0.8948
622	OCH	0.8947
623	23W	0.8947
624	2AP	0.8946
625	XQG	0.8945
626	C2A	0.8944
627	JBK	0.8943
628	MYJ	0.8942
629	495	0.8941
630	RPQ	0.8940
631	WOT	0.8939
632	3NT	0.8939
633	3AP	0.8938
634	HVK	0.8938
635	4JL	0.8938
636	CNL	0.8937
637	GAB	0.8936
638	GLT	0.8935
639	PY7	0.8935
640	PHB	0.8935
641	QWN	0.8935
642	4AP	0.8934
643	FBA	0.8934
644	PYQ	0.8933
645	93K	0.8931
646	7EX	0.8930
647	LFR	0.8929
648	VNL	0.8929
649	CIZ	0.8928
650	2PC	0.8928
651	SR1	0.8928
652	0P6	0.8928
653	2BN	0.8927
654	4CS	0.8926
655	SKA	0.8926
656	SMV	0.8926
657	GCU	0.8925
658	1LN	0.8924
659	QXW	0.8924
660	MZW	0.8924
661	ZWZ	0.8923
662	5ZE	0.8923
663	VGD	0.8922
664	FBB	0.8920
665	AKH	0.8919
666	GLL	0.8919
667	INO	0.8918
668	NPO	0.8916
669	75K	0.8915
670	SIN	0.8914
671	V1L	0.8914
672	4HC	0.8913
673	2KT	0.8913
674	FA1	0.8911
675	C2B	0.8910
676	5B1	0.8910
677	8IG	0.8910
678	LGA	0.8909
679	VOH	0.8909
680	261	0.8908
681	PYJ	0.8908
682	9MG	0.8908
683	HYP	0.8907
684	YSO	0.8907
685	UNC	0.8906
686	PE0	0.8905
687	M1E	0.8905
688	2EC	0.8903
689	Q24	0.8901
690	GXE	0.8900
691	5CL	0.8900
692	DAS	0.8899
693	VGL	0.8899
694	RM1	0.8898
695	LER	0.8897
696	HLZ	0.8897
697	S76	0.8896
698	3MG	0.8895
699	ES2	0.8895
700	IP0	0.8894
701	B24	0.8892
702	8CL	0.8890
703	12B	0.8890
704	0W8	0.8890
705	3HB	0.8890
706	51F	0.8889
707	H42	0.8888
708	5MK	0.8887
709	CTS	0.8886
710	IOM	0.8886
711	MEW	0.8885
712	IQ0	0.8884
713	TEP	0.8884
714	YCP	0.8882
715	JZ4	0.8882
716	FAC	0.8882
717	3OC	0.8881
718	RHU	0.8881
719	Q6T	0.8881
720	MRW	0.8881
721	K2T	0.8881
722	2HO	0.8879
723	DTI	0.8878
724	SYV	0.8878
725	M1Q	0.8878
726	DPR	0.8877
727	EA1	0.8877
728	MLA	0.8877
729	AKG	0.8876
730	LYL	0.8875
731	R8V	0.8875
732	M0W	0.8875
733	KT7	0.8875
734	L60	0.8873
735	SHA	0.8873
736	AZ8	0.8873
737	UNU	0.8873
738	TFU	0.8871
739	R8S	0.8871
740	MO8	0.8869
741	DHQ	0.8868
742	IPB	0.8868
743	9TW	0.8868
744	9CL	0.8867
745	42C	0.8866
746	M5K	0.8865
747	5HN	0.8863
748	BP9	0.8863
749	TFB	0.8862
750	AQO	0.8861
751	AMG	0.8861
752	H8N	0.8860
753	HZP	0.8859
754	M6N	0.8858
755	QSB	0.8858
756	ISD	0.8857
757	J9W	0.8857
758	RNT	0.8855
759	PCA	0.8855
760	NTN	0.8855
761	X09	0.8855
762	MLI	0.8854
763	ZB1	0.8853
764	DHS	0.8852
765	M0Q	0.8852
766	7VS	0.8850
767	ERH	0.8849
768	9TZ	0.8849
769	53C	0.8849
770	TZE	0.8848
771	IT2	0.8847
772	BZ3	0.8847
773	3HM	0.8846
774	CHB	0.8845
775	4JM	0.8844
776	UY7	0.8844
777	MR1	0.8842
778	PAB	0.8842
779	PAE	0.8842
780	SX1	0.8841
781	192	0.8841
782	CWS	0.8839
783	IPM	0.8839
784	4A3	0.8838
785	DIN	0.8837
786	IJZ	0.8837
787	QBK	0.8836
788	GT0	0.8835
789	TTL	0.8835
790	PBC	0.8835
791	4JT	0.8834
792	FHB	0.8833
793	1P3	0.8833
794	LSA	0.8833
795	24T	0.8832
796	NXA	0.8832
797	M1H	0.8831
798	PRY	0.8830
799	M58	0.8829
800	NNO	0.8829
801	93B	0.8827
802	FOA	0.8827
803	CP	0.8827
804	5JQ	0.8826
805	LKA	0.8825
806	32X	0.8824
807	TTO	0.8823
808	3AB	0.8823
809	SVD	0.8823
810	OHG	0.8822
811	NTM	0.8821
812	DXX	0.8821
813	3Z8	0.8821
814	PYC	0.8819
815	XAZ	0.8819
816	AUD	0.8819
817	SNE	0.8816
818	JLZ	0.8815
819	M2H	0.8814
820	FBV	0.8814
821	JBN	0.8812
822	IT9	0.8811
823	42A	0.8811
824	86J	0.8810
825	1U6	0.8809
826	265	0.8808
827	DRL	0.8807
828	8CM	0.8807
829	AJ2	0.8806
830	JAB	0.8806
831	329	0.8805
832	TCZ	0.8805
833	LZM	0.8804
834	OVV	0.8804
835	KUF	0.8803
836	FOT	0.8802
837	ORN	0.8801
838	5JL	0.8801
839	KP6	0.8799
840	25T	0.8799
841	EMZ	0.8799
842	4RW	0.8797
843	ZBT	0.8796
844	IHB	0.8796
845	PZI	0.8796
846	GG6	0.8793
847	OEM	0.8793
848	Z82	0.8793
849	14J	0.8792
850	9X7	0.8790
851	MMZ	0.8789
852	5RN	0.8789
853	7NI	0.8787
854	IPZ	0.8787
855	GXY	0.8785
856	KIB	0.8784
857	KIA	0.8784
858	HY1	0.8784
859	3SY	0.8784
860	HHN	0.8782
861	JUG	0.8782
862	UYA	0.8781
863	5OB	0.8781
864	8WT	0.8781
865	MAE	0.8779
866	GTL	0.8778
867	40E	0.8778
868	DHK	0.8777
869	TZC	0.8776
870	SER	0.8774
871	G1O	0.8774
872	HYN	0.8774
873	4AX	0.8774
874	SS2	0.8773
875	8GC	0.8772
876	C2U	0.8771
877	SS1	0.8768
878	KG7	0.8768
879	ZZ3	0.8767
880	PRS	0.8764
881	NQ	0.8764
882	VK3	0.8763
883	NVA	0.8762
884	TCM	0.8762
885	DIU	0.8761
886	HDA	0.8757
887	HSL	0.8756
888	PBZ	0.8756
889	278	0.8755
890	WCE	0.8754
891	BAE	0.8754
892	ORO	0.8753
893	AC0	0.8752
894	OXC	0.8752
895	XBT	0.8749
896	HBD	0.8749
897	308	0.8749
898	3PY	0.8748
899	EKZ	0.8746
900	3BZ	0.8746
901	NVI	0.8746
902	XIY	0.8745
903	3FH	0.8745
904	GLN	0.8745
905	PIH	0.8743
906	RSO	0.8743
907	GCB	0.8743
908	D3M	0.8741
909	1DH	0.8741
910	DMG	0.8740
911	FB1	0.8740
912	P72	0.8738
913	GYP	0.8738
914	1DQ	0.8737
915	8WO	0.8736
916	NDM	0.8735
917	TP5	0.8734
918	C21	0.8732
919	2HQ	0.8732
920	1Y6	0.8732
921	2MN	0.8731
922	8EW	0.8727
923	AC6	0.8727
924	NK1	0.8726
925	M6W	0.8725
926	NIZ	0.8723
927	MXN	0.8722
928	KLW	0.8720
929	HUI	0.8720
930	PZM	0.8718
931	4MA	0.8718
932	XIX	0.8718
933	7N0	0.8718
934	MWP	0.8717
935	FAN	0.8715
936	JZ5	0.8710
937	LDP	0.8707
938	PHT	0.8707
939	4P0	0.8703
940	BRT	0.8703
941	BVC	0.8702
942	273	0.8695
943	CFF	0.8693
944	G3E	0.8693
945	E7Z	0.8693
946	DGY	0.8693
947	1DU	0.8692
948	PRF	0.8692
949	1M2	0.8691
950	174	0.8690
951	2PG	0.8690
952	HGW	0.8689
953	AI2	0.8689
954	9X6	0.8688
955	EYK	0.8687
956	IV2	0.8686
957	CXF	0.8685
958	DOR	0.8684
959	ENL	0.8683
960	CAH	0.8683
961	15L	0.8683
962	FA3	0.8683
963	DSN	0.8682
964	ADM	0.8680
965	DTU	0.8675
966	GDE	0.8675
967	7WG	0.8669
968	FCN	0.8669
969	EVA	0.8667
970	5QY	0.8666
971	CYS	0.8666
972	FQI	0.8666
973	IUP	0.8665
974	UGC	0.8663
975	LT2	0.8661
976	CFI	0.8660
977	1DV	0.8659
978	SOR	0.8656
979	42J	0.8656
980	F9Y	0.8654
981	9PY	0.8652
982	4JQ	0.8652
983	X05	0.8648
984	MET	0.8646
985	ISZ	0.8646
986	1AC	0.8642
987	LEU	0.8641
988	XXP	0.8640
989	HIU	0.8634
990	51R	0.8632
991	MA3	0.8631
992	D1X	0.8631
993	SE2	0.8630
994	YRL	0.8629
995	NTZ	0.8628
996	8ZE	0.8623
997	680	0.8623
998	MT5	0.8623
999	PQ0	0.8621
1000	C5J	0.8621
1001	BNS	0.8621
1002	HQD	0.8620
1003	9RW	0.8617
1004	3PF	0.8617
1005	0FN	0.8615
1006	03W	0.8613
1007	MUA	0.8611
1008	KJU	0.8608
1009	0JD	0.8605
1010	ADO	0.8605
1011	IFP	0.8605
1012	GOX	0.8603
1013	13P	0.8602
1014	2BG	0.8597
1015	K17	0.8597
1016	PEL	0.8593
1017	F31	0.8593
1018	MVL	0.8590
1019	B62	0.8590
1020	4XV	0.8589
1021	GCO	0.8579
1022	4NG	0.8576
1023	DBX	0.8575
1024	RAT	0.8575
1025	4YO	0.8574
1026	3PG	0.8573
1027	2ZQ	0.8568
1028	JFJ	0.8568
1029	AW5	0.8568
1030	BFM	0.8568
1031	CEE	0.8568
1032	RMN	0.8567
1033	HA7	0.8566
1034	FMS	0.8561
1035	PBR	0.8560
1036	GIM	0.8552
1037	PEA	0.8537
1038	271	0.8536
1039	FSW	0.8534
1040	4XS	0.8534
1041	XRG	0.8532
1042	R9S	0.8531
1043	EV0	0.8530
1044	CAX	0.8530
1045	ABA	0.8530
1046	ACH	0.8528
1047	SKM	0.8512

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

Pocket No.: 1; Query (leader) PDB : 3VDB; Ligand: 149; 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: 3vdb.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 3VDB; Ligand: 149; 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: 3vdb.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 3VDB; Ligand: 149; 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: 3vdb.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 3VDB; Ligand: 149; 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: 3vdb.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity

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