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
6SZG	1.84 Å	EC: 2.5.1.31	ACINETOBACTER BAUMANNII UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH GR839 AND GSK513	ACINETOBACTER BAUMANNII	INHIBITOR COMPLEX TRANSFERASE
Ref.:	COCKTAILED FRAGMENT SCREENING BY X-RAY CRYSTALLOGRA THE ANTIBACTERIAL TARGET UNDECAPRENYL PYROPHOSPHATE FROM ACINETOBACTER BAUMANNII. ACTA CRYSTALLOGR.,SECT.F V. 76 40 2020

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
M2E	A:302;	Valid;	none;	submit data	239.698	C12 H14 Cl N O2	c1cc(...
CA	B:301;	Part of Protein;	none;	submit data	40.078	Ca	[Ca+2...
M2K	A:301;	Valid;	none;	submit data	166.177	C8 H10 N2 O2	C1CCc...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6SZG	1.84 Å	EC: 2.5.1.31	ACINETOBACTER BAUMANNII UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH GR839 AND GSK513	ACINETOBACTER BAUMANNII	INHIBITOR COMPLEX TRANSFERASE
Ref.:	COCKTAILED FRAGMENT SCREENING BY X-RAY CRYSTALLOGRA THE ANTIBACTERIAL TARGET UNDECAPRENYL PYROPHOSPHATE FROM ACINETOBACTER BAUMANNII. ACTA CRYSTALLOGR.,SECT.F V. 76 40 2020

Members (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6SZG	-	M2K	C8 H10 N2 O2	C1CCc2c(c(....
2	6ACS	-	CIT	C6 H8 O7	C(C(=O)O)C....
3	6SZH	-	M2H	C7 H8 N2	Cc1cc([nH]....

70% Homology Family (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6SZG	-	M2K	C8 H10 N2 O2	C1CCc2c(c(....
2	6ACS	-	CIT	C6 H8 O7	C(C(=O)O)C....
3	6SZH	-	M2H	C7 H8 N2	Cc1cc([nH]....

50% Homology Family (28)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	2E9D	-	B76	C20 H20 O8 P2	c1ccc(cc1)....
2	1X09	Kd = 520 uM	IPE	C5 H12 O7 P2	CC(=C)CCO[....
3	3TH8	-	TH9	C19 H27 N O5	CCCCCCOc1c....
4	5CQJ	ic50 = 15.4 uM	53Q	C26 H28 Cl N O	CCN(CC)CCO....
5	5ZHE	-	HJX	C21 H34 O4	CCCCCCCCCC....
6	1V7U	-	FPP	C15 H28 O7 P2	CC(=CCC/C(....
7	2E9C	-	B75	C24 H23 N O9 P2 S	c1ccc2cc(c....
8	2E9A	-	B28	C20 H20 O7 P2	c1ccc(cc1)....
9	1X06	-	FPS	C15 H28 O6 P2 S	CC(=CCC/C(....
10	1X07	Kd = 520 uM	IPE	C5 H12 O7 P2	CC(=C)CCO[....
11	2E98	-	B29	C20 H18 O8 P2	c1ccc2c(c1....
12	3WYJ	ic50 = 0.36 uM	H78	C34 H36 N2 O18 P4 S2	c1cc(cc(c1....
13	1X08	Kd = 520 uM	IPE	C5 H12 O7 P2	CC(=C)CCO[....
14	2E99	-	B08	C20 H20 O7 P2	c1ccc(cc1)....
15	2VG2	-	IPE	C5 H12 O7 P2	CC(=C)CCO[....
16	4ONC	Kd = 410 nM	40B	C19 H18 O7 P2	c1ccc(cc1)....
17	6IME	-	GST	C10 H20 O6 P2 S	CC(=CCCC(=....
18	2VG3	-	GPP	C10 H20 O7 P2	CC(=CCC/C(....
19	5HC8	-	PIS	H3 O6 P2 S	OP(=O)(O)O....
20	5HC7	-	DST	C5 H12 O6 P2 S	CC(=CCS[P@....
21	4Q9O	Kd = 1.7 uM	2ZW	C20 H19 Cl N2 O2	Cc1c(c(no1....
22	4Q9M	Kd = 66 nM	2ZW	C20 H19 Cl N2 O2	Cc1c(c(no1....
23	4U82	ic50 = 1.9 uM	FPS	C15 H28 O6 P2 S	CC(=CCC/C(....
24	2VG1	-	FPP	C15 H28 O7 P2	CC(=CCC/C(....
25	2VG0	-	GPP	C10 H20 O7 P2	CC(=CCC/C(....
26	6SZG	-	M2K	C8 H10 N2 O2	C1CCc2c(c(....
27	6ACS	-	CIT	C6 H8 O7	C(C(=O)O)C....
28	6SZH	-	M2H	C7 H8 N2	Cc1cc([nH]....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: M2E; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	M2E	1	1

Ligand no: 2; Ligand: M2K; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	M2K	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: M2E; Similar ligands found: 205

No:	Ligand	Similarity coefficient
1	3VW	0.9532
2	0OY	0.9421
3	DBE	0.9404
4	0OL	0.9363
5	AX4	0.9345
6	HX8	0.9312
7	4FP	0.9281
8	CUQ	0.9267
9	EQW	0.9256
10	S46	0.9254
11	HO6	0.9232
12	4MP	0.9230
13	BZQ	0.9210
14	CW6	0.9202
15	FPL	0.9188
16	54F	0.9186
17	11X	0.9186
18	A8K	0.9175
19	27M	0.9159
20	S0F	0.9158
21	92O	0.9147
22	H48	0.9147
23	CUH	0.9139
24	MJ5	0.9137
25	50Q	0.9131
26	CH8	0.9127
27	A08	0.9116
28	M5E	0.9105
29	J4K	0.9104
30	BIO	0.9099
31	XI7	0.9098
32	3QO	0.9095
33	9JH	0.9066
34	MQS	0.9053
35	AX5	0.9052
36	C82	0.9035
37	0OO	0.9015
38	2OH	0.9014
39	2JX	0.9013
40	TZM	0.9010
41	C0H	0.9010
42	DCN	0.9006
43	SFY	0.8997
44	2P3	0.8986
45	YIE	0.8986
46	CC5	0.8985
47	OA1	0.8983
48	CBE	0.8982
49	7ZL	0.8975
50	MMS	0.8970
51	E9P	0.8962
52	5R8	0.8961
53	EV2	0.8957
54	LVY	0.8955
55	8OE	0.8954
56	CUT	0.8954
57	QME	0.8953
58	JFS	0.8952
59	3W1	0.8952
60	BHS	0.8946
61	KF5	0.8942
62	TCL	0.8937
63	0QW	0.8936
64	GNW	0.8931
65	SX3	0.8928
66	42R	0.8918
67	SJR	0.8916
68	68B	0.8913
69	ERZ	0.8907
70	YUG	0.8905
71	OJD	0.8900
72	9FH	0.8900
73	536	0.8900
74	HXY	0.8891
75	DAH	0.8887
76	L1T	0.8868
77	PHI	0.8866
78	R7T	0.8865
79	D64	0.8862
80	ENG	0.8861
81	D1Y	0.8860
82	S0G	0.8859
83	S7V	0.8856
84	C4F	0.8854
85	HBI	0.8849
86	XYP XYP	0.8847
87	KYN	0.8846
88	DBS	0.8844
89	N2Y	0.8842
90	H4T	0.8842
91	G14	0.8842
92	WCU	0.8838
93	PYU	0.8838
94	TCW	0.8835
95	531	0.8833
96	VJP	0.8831
97	FMQ	0.8823
98	8CV	0.8812
99	K48	0.8807
100	5AD	0.8807
101	8OB	0.8801
102	TPR	0.8800
103	TYE	0.8799
104	0A1	0.8798
105	54E	0.8797
106	TRP	0.8797
107	J27	0.8793
108	LR2	0.8792
109	RQD	0.8784
110	FB4	0.8783
111	E1P	0.8778
112	ADN	0.8776
113	H7S	0.8768
114	1BN	0.8766
115	TYR	0.8765
116	H4B	0.8760
117	3WJ	0.8754
118	0D1	0.8746
119	EF2	0.8744
120	XK0	0.8741
121	MEX	0.8740
122	6HO	0.8733
123	TBL	0.8731
124	4BF	0.8730
125	H75	0.8729
126	3XH	0.8728
127	MIL	0.8728
128	XDI	0.8728
129	XRX	0.8725
130	9JT	0.8724
131	YTZ	0.8721
132	D4G	0.8721
133	M6H	0.8718
134	A7Q	0.8715
135	RVE	0.8715
136	J84	0.8711
137	QTD	0.8707
138	AWE	0.8704
139	Q8G	0.8704
140	2B4	0.8702
141	JFZ	0.8700
142	2UB	0.8700
143	3D1	0.8697
144	FWD	0.8692
145	69K	0.8688
146	FT2	0.8688
147	JA3	0.8687
148	3N1	0.8687
149	H3W	0.8684
150	TYP	0.8681
151	PTB	0.8680
152	KHP	0.8677
153	NWD	0.8671
154	AMR	0.8670
155	PFF	0.8669
156	1CY	0.8669
157	PZ8	0.8666
158	YIP	0.8662
159	12R	0.8662
160	CWD	0.8661
161	MTA	0.8656
162	LVD	0.8654
163	W1G	0.8649
164	FT1	0.8644
165	XYS XYS	0.8644
166	2MR	0.8638
167	PV4	0.8636
168	S8G	0.8633
169	9ME	0.8632
170	XYP XYS	0.8628
171	2J5	0.8626
172	GF7	0.8623
173	1PS	0.8623
174	ATX	0.8622
175	1A5	0.8621
176	GGB	0.8618
177	XIF XYP	0.8612
178	XYP XIF	0.8609
179	ENO	0.8609
180	NVS	0.8606
181	Q8D	0.8606
182	5ZM	0.8602
183	SOJ	0.8601
184	BWD	0.8600
185	XDH	0.8595
186	QTJ	0.8593
187	BZM	0.8592
188	0ON	0.8587
189	GAL PHB	0.8586
190	8UY	0.8585
191	5TO	0.8583
192	A4N	0.8583
193	IT5	0.8581
194	WT2	0.8575
195	IOS	0.8575
196	ITW	0.8567
197	NAL	0.8566
198	HAR	0.8566
199	3KJ	0.8556
200	3IL	0.8555
201	URI	0.8551
202	CS2	0.8548
203	XDL XYP	0.8538
204	I2E	0.8534
205	4AF	0.8533

Ligand no: 2; Ligand: M2K; Similar ligands found: 1120

No:	Ligand	Similarity coefficient
1	ICO	1.0000
2	5RN	1.0000
3	92K	0.9785
4	I3A	0.9762
5	4TU	0.9744
6	PD2	0.9739
7	NID	0.9738
8	PDC	0.9728
9	5RO	0.9721
10	TTY	0.9721
11	C2Y	0.9710
12	7ZE	0.9704
13	92P	0.9703
14	0HO	0.9689
15	EA1	0.9688
16	2HU	0.9688
17	0HN	0.9686
18	7HQ	0.9686
19	8G0	0.9686
20	5WY	0.9680
21	M4E	0.9679
22	5OB	0.9677
23	2ZM	0.9672
24	Q6T	0.9668
25	3NY	0.9658
26	6NT	0.9658
27	ABI	0.9645
28	3A9	0.9643
29	1F1	0.9638
30	6NI	0.9636
31	E1T	0.9635
32	JAW	0.9635
33	5NI	0.9633
34	2ZQ	0.9632
35	E7Z	0.9631
36	7NI	0.9631
37	173	0.9625
38	PEY	0.9617
39	BZ3	0.9616
40	QPR	0.9616
41	BEA	0.9606
42	9CA	0.9604
43	M1E	0.9601
44	42A	0.9601
45	42C	0.9598
46	AKH	0.9595
47	5XC	0.9593
48	1IT	0.9591
49	LZM	0.9591
50	9FL	0.9582
51	8HC	0.9576
52	6M4	0.9575
53	0LH	0.9567
54	2LY	0.9565
55	0JD	0.9563
56	INE	0.9561
57	JDN	0.9547
58	COU	0.9546
59	JB8	0.9545
60	4FS	0.9541
61	2AQ	0.9539
62	03V	0.9534
63	0FK	0.9533
64	15N	0.9533
65	091	0.9532
66	5RG	0.9522
67	J9Q	0.9521
68	ES5	0.9519
69	JB5	0.9518
70	FA0	0.9518
71	BGC	0.9518
72	7W1	0.9517
73	7VS	0.9516
74	BHA	0.9513
75	OVM	0.9513
76	M0W	0.9512
77	GTQ	0.9512
78	CHB	0.9511
79	FHB	0.9508
80	4Z4	0.9508
81	J9W	0.9508
82	DRL	0.9507
83	HQT	0.9507
84	5CU	0.9501
85	3MB	0.9501
86	4M0	0.9501
87	XQG	0.9498
88	RM1	0.9497
89	KYA	0.9494
90	12Q	0.9494
91	KJH	0.9493
92	97T	0.9493
93	TTL	0.9493
94	5NU	0.9491
95	MYJ	0.9491
96	DOB	0.9490
97	5M0	0.9490
98	MEW	0.9485
99	9FE	0.9484
100	DHB	0.9479
101	4HC	0.9479
102	M1H	0.9476
103	2KA	0.9473
104	4NC	0.9472
105	AZ8	0.9471
106	P9P	0.9469
107	4A3	0.9468
108	SLS	0.9468
109	NNO	0.9465
110	H42	0.9465
111	5QX	0.9464
112	PYQ	0.9459
113	TSS	0.9458
114	PE0	0.9451
115	AQO	0.9450
116	54G	0.9450
117	NVU	0.9450
118	3HM	0.9445
119	INO	0.9445
120	HA5	0.9445
121	BK9	0.9442
122	M1Q	0.9441
123	XX2	0.9440
124	M0Q	0.9440
125	2HO	0.9439
126	9TW	0.9431
127	Q24	0.9429
128	8ZE	0.9424
129	N8Y	0.9422
130	VNL	0.9421
131	M6N	0.9418
132	SKA	0.9418
133	0F9	0.9417
134	KDV	0.9416
135	4ME	0.9416
136	M6Z	0.9415
137	AZ9	0.9415
138	2FY	0.9414
139	BDP	0.9413
140	JLZ	0.9411
141	QSB	0.9407
142	IV2	0.9398
143	F9Y	0.9397
144	N2I	0.9396
145	AJ2	0.9392
146	M5K	0.9390
147	3IT	0.9390
148	MS9	0.9389
149	VK3	0.9389
150	23J	0.9389
151	RXA	0.9386
152	15L	0.9383
153	OW4	0.9382
154	8CM	0.9377
155	MWP	0.9377
156	NQ	0.9372
157	GLC	0.9372
158	0N7	0.9369
159	5MK	0.9369
160	SAL	0.9368
161	BZJ	0.9365
162	G5V	0.9364
163	Z5P	0.9361
164	SRO	0.9360
165	JAE	0.9359
166	IHB	0.9358
167	9TZ	0.9357
168	AJV	0.9356
169	BE2	0.9352
170	DNF	0.9345
171	G3F	0.9341
172	4AA	0.9338
173	XHP	0.9338
174	6CS	0.9338
175	HQD	0.9337
176	8XL	0.9337
177	MHK	0.9336
178	6VD	0.9335
179	NDH	0.9334
180	TIU	0.9333
181	GCU	0.9330
182	8OZ	0.9325
183	GAL	0.9324
184	9ZE	0.9320
185	QBK	0.9319
186	0RW	0.9316
187	94W	0.9316
188	3U4	0.9313
189	BCU	0.9313
190	5WU	0.9311
191	IPB	0.9311
192	5H1	0.9310
193	6M9	0.9308
194	KJU	0.9308
195	0GZ	0.9307
196	14O	0.9307
197	3NT	0.9306
198	4KL	0.9305
199	3HB	0.9305
200	EVA	0.9303
201	LSA	0.9302
202	OCH	0.9301
203	0W8	0.9301
204	GAB	0.9300
205	OW7	0.9299
206	HLD	0.9298
207	8GK	0.9296
208	SKM	0.9295
209	44W	0.9294
210	OVV	0.9293
211	BZX	0.9292
212	5MI	0.9291
213	2BG	0.9291
214	LZ2	0.9291
215	5NS	0.9290
216	A29	0.9289
217	4JQ	0.9289
218	9DG	0.9288
219	F60	0.9287
220	DQU	0.9286
221	PBA	0.9286
222	CWJ	0.9285
223	GDE	0.9284
224	SHA	0.9283
225	A7W	0.9283
226	53C	0.9282
227	IAC	0.9281
228	SX1	0.9280
229	URC	0.9278
230	FDB	0.9278
231	5HN	0.9278
232	DBJ	0.9275
233	R8S	0.9274
234	3AB	0.9273
235	GJP	0.9273
236	GCS	0.9273
237	DIN	0.9272
238	HLZ	0.9272
239	RMN	0.9272
240	MQN	0.9267
241	6AI	0.9266
242	5NE	0.9265
243	F12	0.9265
244	8XQ	0.9265
245	JBE	0.9264
246	ODO	0.9264
247	M1A	0.9263
248	1HN	0.9263
249	AZA	0.9260
250	4SV	0.9260
251	D48	0.9259
252	2K4	0.9257
253	8GC	0.9256
254	4CS	0.9254
255	ES6	0.9253
256	OVP	0.9252
257	9MG	0.9252
258	GCB	0.9251
259	LDR	0.9250
260	ONR	0.9250
261	CTL	0.9250
262	FYU	0.9250
263	TOF	0.9248
264	6RQ	0.9248
265	XAZ	0.9248
266	5JQ	0.9247
267	XAN	0.9246
268	G3E	0.9244
269	11S	0.9244
270	36R	0.9243
271	4RU	0.9242
272	SE2	0.9241
273	HLR	0.9241
274	6KT	0.9240
275	3BZ	0.9239
276	B62	0.9236
277	NOJ	0.9235
278	1DW	0.9234
279	GUN	0.9234
280	141	0.9232
281	9EW	0.9232
282	PHU	0.9230
283	OTW	0.9230
284	WCE	0.9230
285	AHR	0.9230
286	TYL	0.9228
287	6AP	0.9228
288	F05	0.9225
289	VGD	0.9224
290	O2A	0.9223
291	QX4	0.9223
292	75K	0.9221
293	AX7	0.9221
294	7WR	0.9221
295	2AL	0.9220
296	ABV	0.9219
297	IGA	0.9219
298	DBX	0.9217
299	MQB	0.9217
300	XIY	0.9216
301	BTY	0.9215
302	BRT	0.9215
303	6ME	0.9215
304	3DM	0.9213
305	NIZ	0.9211
306	DHK	0.9210
307	5WV	0.9209
308	R8V	0.9209
309	37T	0.9208
310	ES7	0.9208
311	SVN	0.9208
312	PQK	0.9208
313	FOT	0.9207
314	J5I	0.9207
315	BZ2	0.9207
316	KKN	0.9206
317	7W4	0.9206
318	3PF	0.9206
319	GYE	0.9204
320	VXX	0.9203
321	261	0.9203
322	OMD	0.9203
323	ANF	0.9202
324	2HQ	0.9198
325	UNC	0.9197
326	1LQ	0.9196
327	4MU	0.9194
328	1P7	0.9194
329	3HA	0.9194
330	HNQ	0.9193
331	PXL	0.9193
332	DMD	0.9192
333	209	0.9192
334	CWM	0.9192
335	ISN	0.9192
336	APS	0.9190
337	Q02	0.9190
338	YH7	0.9188
339	52C	0.9188
340	ES0	0.9188
341	5GU	0.9187
342	TSR	0.9186
343	DBH	0.9185
344	UAN	0.9184
345	FP1	0.9184
346	JA8	0.9184
347	1QP	0.9184
348	IJZ	0.9181
349	8S0	0.9181
350	GZL	0.9181
351	M4T	0.9180
352	28N	0.9180
353	AA	0.9179
354	H4N	0.9179
355	RD4	0.9178
356	8TX	0.9176
357	24W	0.9176
358	ESI	0.9176
359	AZG	0.9175
360	NMJ	0.9174
361	ARP	0.9171
362	4JT	0.9171
363	5QY	0.9171
364	67N	0.9170
365	KBB	0.9170
366	7B3	0.9169
367	FK1	0.9169
368	1XM	0.9168
369	DRG	0.9168
370	DFB	0.9168
371	B55	0.9166
372	4P5	0.9166
373	MO8	0.9164
374	1NP	0.9163
375	MUA	0.9162
376	1XN	0.9160
377	32X	0.9159
378	9R5	0.9159
379	XQ0	0.9158
380	290	0.9157
381	C2U	0.9156
382	HMH	0.9154
383	JKE	0.9154
384	44V	0.9151
385	CWS	0.9151
386	CFI	0.9151
387	LNR	0.9151
388	270	0.9150
389	LT2	0.9150
390	3R6	0.9149
391	A2F	0.9148
392	EYK	0.9147
393	X8D	0.9147
394	ESP	0.9146
395	1M2	0.9146
396	QSH	0.9146
397	DNC	0.9145
398	B60	0.9145
399	HH8	0.9142
400	5B1	0.9142
401	J9T	0.9142
402	HMU	0.9142
403	8H8	0.9141
404	7ME	0.9139
405	0P6	0.9139
406	DNA	0.9137
407	0FO	0.9137
408	APZ	0.9136
409	SYV	0.9136
410	MAJ	0.9135
411	61M	0.9135
412	2D0	0.9134
413	PQ0	0.9134
414	B53	0.9133
415	CLZ	0.9132
416	1P8	0.9132
417	FBB	0.9131
418	F31	0.9131
419	8WO	0.9130
420	3M0	0.9129
421	BSX	0.9129
422	TVP	0.9128
423	QUZ	0.9128
424	9AP	0.9127
425	FGZ	0.9127
426	1A7	0.9125
427	DHY	0.9123
428	GV9	0.9121
429	P92	0.9121
430	6BL	0.9121
431	2MI	0.9121
432	6GU	0.9121
433	4XH	0.9120
434	MRW	0.9119
435	MAQ	0.9118
436	5MB	0.9118
437	NPY	0.9118
438	4YO	0.9118
439	HA7	0.9117
440	1SQ	0.9116
441	PRZ	0.9116
442	HQJ	0.9115
443	F0J	0.9115
444	G2F	0.9115
445	86J	0.9114
446	JBQ	0.9113
447	3OC	0.9113
448	5WX	0.9112
449	1LM	0.9112
450	ET2	0.9112
451	5JL	0.9110
452	6M1	0.9110
453	5VL	0.9110
454	CH9	0.9109
455	FLV	0.9107
456	BHO	0.9104
457	BOA	0.9103
458	30G	0.9102
459	AJY	0.9101
460	KUF	0.9099
461	TH7	0.9098
462	ISZ	0.9098
463	4SX	0.9097
464	KOJ	0.9097
465	IP0	0.9097
466	PJW	0.9096
467	KTW	0.9095
468	2FQ	0.9095
469	GRE	0.9094
470	E5X	0.9093
471	N5J	0.9092
472	AY4	0.9089
473	FRU	0.9087
474	ESX	0.9085
475	O72	0.9085
476	Q88	0.9084
477	2HC	0.9081
478	93K	0.9081
479	HJP	0.9080
480	ADZ	0.9079
481	ES2	0.9078
482	HCI	0.9078
483	7B4	0.9076
484	7WV	0.9076
485	ES1	0.9076
486	JBH	0.9075
487	0TU	0.9074
488	PHB	0.9074
489	R9Y	0.9074
490	DX4	0.9073
491	4ZA	0.9073
492	1AL	0.9073
493	K2T	0.9072
494	B57	0.9072
495	X09	0.9071
496	1WD	0.9070
497	N2Z	0.9070
498	FDR	0.9070
499	CKA	0.9067
500	H5B	0.9066
501	069	0.9066
502	SOR	0.9066
503	MB1	0.9064
504	AN3	0.9064
505	27B	0.9063
506	XM0	0.9063
507	ZYR	0.9062
508	JPZ	0.9061
509	HX3	0.9060
510	A7H	0.9060
511	ES9	0.9059
512	ANN	0.9059
513	6F0	0.9058
514	IOS	0.9058
515	SXS	0.9058
516	NLA	0.9057
517	CXP	0.9057
518	ZZT	0.9055
519	2AK	0.9053
520	2O6	0.9053
521	495	0.9051
522	3F0	0.9051
523	5Q0	0.9050
524	3WA	0.9050
525	K5W	0.9049
526	25W	0.9049
527	KTA	0.9047
528	4YS	0.9046
529	3Z8	0.9046
530	PAB	0.9045
531	SHG	0.9045
532	3ID	0.9043
533	N1E	0.9043
534	NPO	0.9043
535	JBK	0.9042
536	ASC	0.9041
537	CFP	0.9041
538	FE DB1	0.9040
539	2EC	0.9040
540	LKA	0.9039
541	V55	0.9038
542	AW5	0.9038
543	CFF	0.9038
544	3SK	0.9038
545	M5N	0.9035
546	ALL	0.9034
547	SYA	0.9033
548	KIB	0.9032
549	KIA	0.9032
550	67X	0.9031
551	4WL	0.9027
552	DPZ	0.9027
553	TT4	0.9027
554	CN0	0.9026
555	JUG	0.9026
556	PH2	0.9026
557	MR1	0.9026
558	39O	0.9025
559	EQT	0.9025
560	12B	0.9024
561	3DO	0.9024
562	OXC	0.9023
563	FBT	0.9023
564	KBG	0.9022
565	ORO	0.9021
566	M5H	0.9020
567	H33	0.9020
568	VNJ	0.9020
569	SWA	0.9020
570	34D	0.9019
571	PNZ	0.9019
572	DIU	0.9018
573	KT7	0.9017
574	7FF	0.9017
575	7MU	0.9016
576	GTR	0.9014
577	0FN	0.9013
578	HPA	0.9013
579	FAN	0.9012
580	HKD	0.9011
581	FBM	0.9011
582	24B	0.9009
583	1Y6	0.9007
584	TWO	0.9006
585	3XX	0.9006
586	QWN	0.9003
587	FBV	0.9003
588	4HM	0.9003
589	9UL	0.9002
590	JG8	0.9002
591	THA	0.9001
592	9PY	0.9001
593	PRF	0.8999
594	ICB	0.8998
595	DHR	0.8997
596	PFB	0.8997
597	12T	0.8996
598	XX3	0.8995
599	TGX	0.8995
600	2CK	0.8993
601	LGC	0.8993
602	OGA	0.8992
603	4MA	0.8991
604	717	0.8991
605	1L5	0.8991
606	FBG	0.8986
607	826	0.8986
608	SWD	0.8986
609	CLW	0.8985
610	HBD	0.8984
611	PAC	0.8984
612	HIS	0.8984
613	TEP	0.8982
614	2FG	0.8982
615	1P3	0.8981
616	NOY	0.8981
617	3Z7	0.8980
618	4ZC	0.8979
619	SMN	0.8979
620	6R8	0.8978
621	5SG	0.8978
622	KJY	0.8978
623	QIC	0.8977
624	HQY	0.8975
625	HHR	0.8974
626	AC6	0.8974
627	BNT	0.8974
628	PBZ	0.8973
629	8NY	0.8973
630	226	0.8972
631	HZQ	0.8972
632	IFL	0.8972
633	3MG	0.8972
634	HHA	0.8971
635	2H5	0.8971
636	6TZ	0.8969
637	R9S	0.8969
638	APG	0.8969
639	5XB	0.8967
640	463	0.8966
641	3BU	0.8966
642	4XV	0.8965
643	SKF	0.8964
644	SW7	0.8964
645	39A	0.8963
646	5VM	0.8963
647	4M4	0.8962
648	JKZ	0.8961
649	NDM	0.8959
650	SN4	0.8956
651	1KP	0.8956
652	PIY	0.8956
653	GNM	0.8955
654	PA1	0.8955
655	1DJ	0.8954
656	QXW	0.8954
657	GXY	0.8951
658	9RW	0.8951
659	BMA	0.8951
660	5IQ	0.8950
661	DHQ	0.8950
662	EUG	0.8949
663	D07	0.8948
664	2ZV	0.8948
665	ASO	0.8948
666	CTS	0.8948
667	3J8	0.8947
668	BPU	0.8947
669	S0E	0.8945
670	6QF	0.8944
671	9KT	0.8943
672	XBT	0.8942
673	4NM	0.8941
674	DA4	0.8941
675	15E	0.8938
676	0R0	0.8938
677	ADE	0.8938
678	OHP	0.8938
679	HC4	0.8937
680	P72	0.8936
681	DOR	0.8935
682	PPY	0.8931
683	6FZ	0.8929
684	J6W	0.8928
685	174	0.8928
686	JP2	0.8927
687	OTD	0.8927
688	DHS	0.8927
689	1X7	0.8926
690	4FA	0.8926
691	G12	0.8924
692	X0V	0.8923
693	G1O	0.8921
694	G6D	0.8921
695	L3Q	0.8920
696	XCZ	0.8918
697	MZB	0.8918
698	2SX	0.8916
699	8IG	0.8914
700	RHU	0.8914
701	Q7A	0.8912
702	SAN	0.8910
703	IWT	0.8909
704	LI6	0.8908
705	Z82	0.8908
706	SRT	0.8906
707	V1T	0.8906
708	MT0	0.8906
709	NK	0.8905
710	MSR	0.8903
711	UEG	0.8903
712	FBS	0.8903
713	LDP	0.8902
714	HHS	0.8901
715	JZ3	0.8900
716	42J	0.8899
717	R20	0.8898
718	BCP	0.8898
719	JU2	0.8897
720	GO2	0.8897
721	RSF	0.8896
722	FBW	0.8895
723	L7T	0.8894
724	2MN	0.8894
725	WOO	0.8894
726	0BP	0.8893
727	ADA	0.8893
728	KLK	0.8891
729	UFO	0.8891
730	DPT	0.8890
731	GVG	0.8890
732	QWW	0.8889
733	KGK	0.8889
734	6PC	0.8889
735	TZF	0.8888
736	GOX	0.8887
737	ZON	0.8886
738	DQA	0.8886
739	P9E	0.8884
740	GF4	0.8884
741	ZVO	0.8883
742	X0U	0.8883
743	8WT	0.8883
744	KFH	0.8883
745	MAN	0.8882
746	YIO	0.8882
747	7N0	0.8882
748	2LP	0.8880
749	AZM	0.8878
750	M45	0.8877
751	D1X	0.8877
752	PX7	0.8876
753	GLO	0.8875
754	0CU	0.8875
755	3FH	0.8873
756	EN1	0.8873
757	9BF	0.8873
758	ROI	0.8872
759	AKG	0.8872
760	PIM	0.8871
761	4BZ	0.8871
762	SJ5	0.8871
763	JXN	0.8870
764	RNS	0.8869
765	EXD	0.8869
766	TBS	0.8869
767	N3W	0.8869
768	64C	0.8869
769	60Q	0.8868
770	HBA	0.8867
771	SOE	0.8867
772	5TY	0.8866
773	1LN	0.8866
774	DYA	0.8865
775	YRL	0.8864
776	BEZ	0.8864
777	2A9	0.8864
778	3GQ	0.8863
779	F1A	0.8863
780	680	0.8862
781	DEW	0.8861
782	GOJ	0.8860
783	F5B	0.8860
784	259	0.8858
785	B85	0.8858
786	7HP	0.8858
787	HDH	0.8856
788	2F6	0.8856
789	LT8	0.8854
790	LPK	0.8854
791	GLA	0.8854
792	EKZ	0.8853
793	2K8	0.8853
794	GAF	0.8853
795	FB1	0.8852
796	TAR	0.8851
797	23A	0.8851
798	K34	0.8850
799	HPS	0.8849
800	OK7	0.8849
801	L99	0.8849
802	DEE	0.8848
803	4FH	0.8847
804	BP1	0.8847
805	JF1	0.8846
806	NTM	0.8845
807	IFP	0.8844
808	E1P	0.8843
809	4XS	0.8843
810	TSU	0.8842
811	XBZ	0.8841
812	4AV	0.8840
813	PHE	0.8840
814	GLT	0.8839
815	OAA	0.8839
816	8W9	0.8839
817	PZI	0.8838
818	GXL	0.8836
819	1WC	0.8834
820	LCN	0.8832
821	PHT	0.8832
822	0W1	0.8831
823	51R	0.8831
824	GCW	0.8827
825	36E	0.8827
826	M3H	0.8827
827	4J8	0.8827
828	PXM	0.8827
829	4I8	0.8826
830	DX3	0.8826
831	XYL	0.8825
832	RB5	0.8825
833	7CT	0.8825
834	MLT	0.8825
835	AMH	0.8824
836	2JK	0.8823
837	J9N	0.8823
838	BEN	0.8823
839	AIN	0.8823
840	GWM	0.8822
841	GJS	0.8822
842	B56	0.8822
843	XXG	0.8821
844	HFA	0.8821
845	TAG	0.8820
846	MNP	0.8820
847	X6X	0.8819
848	152	0.8819
849	NSP	0.8818
850	TIY	0.8817
851	UNJ	0.8817
852	D3M	0.8817
853	BNF	0.8817
854	ANC	0.8816
855	E7S	0.8816
856	AHN	0.8815
857	CIT	0.8814
858	FLC	0.8813
859	QMS	0.8812
860	275	0.8812
861	BTE	0.8812
862	4ZE	0.8811
863	6MP	0.8810
864	X05	0.8810
865	PM6	0.8809
866	FUD	0.8808
867	MXN	0.8807
868	GM7	0.8807
869	7VJ	0.8805
870	ZBT	0.8805
871	GJZ	0.8805
872	XXP	0.8804
873	GOG	0.8803
874	34A	0.8803
875	1GN	0.8802
876	XUL	0.8802
877	2MP	0.8801
878	NCA	0.8801
879	MBG	0.8800
880	FA3	0.8800
881	K32	0.8799
882	9DA	0.8799
883	8MO	0.8798
884	FA1	0.8798
885	MNM	0.8796
886	FQI	0.8796
887	QX2	0.8796
888	H62	0.8796
889	PHH	0.8795
890	BPY	0.8794
891	FK8	0.8794
892	AL0	0.8793
893	4VY	0.8792
894	K22	0.8790
895	PFL	0.8790
896	9HX	0.8790
897	DK1	0.8789
898	BAM	0.8789
899	12M	0.8789
900	K17	0.8788
901	JND	0.8787
902	4BY	0.8786
903	NIO	0.8785
904	I6G	0.8785
905	URF	0.8783
906	C9E	0.8782
907	4NB	0.8782
908	7WA	0.8782
909	2D3	0.8781
910	M5E	0.8779
911	329	0.8777
912	CXF	0.8777
913	ZZ8	0.8776
914	CPZ	0.8775
915	NAG	0.8775
916	7MX	0.8773
917	CXH	0.8771
918	LQ2	0.8769
919	P3K	0.8767
920	HXX	0.8767
921	0XT	0.8767
922	10L	0.8767
923	BQ2	0.8766
924	JIF	0.8766
925	68A	0.8763
926	428	0.8763
927	WBU	0.8761
928	45L	0.8760
929	3ZB	0.8756
930	JF2	0.8754
931	60P	0.8753
932	8NX	0.8753
933	PZA	0.8753
934	F69	0.8753
935	5F5	0.8752
936	FHC	0.8752
937	4A5	0.8751
938	KLW	0.8750
939	ICT	0.8749
940	XQK	0.8748
941	EUE	0.8747
942	DGJ	0.8747
943	BPN	0.8745
944	R8A	0.8745
945	6DP	0.8744
946	SG2	0.8743
947	3AL	0.8743
948	JZ4	0.8742
949	CBF	0.8742
950	43M	0.8741
951	ZB1	0.8740
952	JFJ	0.8739
953	ES4	0.8739
954	RIB	0.8739
955	HQ9	0.8738
956	NBZ	0.8738
957	L5V	0.8736
958	AAS	0.8735
959	GZ2	0.8734
960	OTR	0.8734
961	PBC	0.8733
962	TDR	0.8733
963	BNL	0.8727
964	BDF	0.8722
965	GLY PRO	0.8721
966	258	0.8719
967	F4E	0.8719
968	NTN	0.8718
969	IND	0.8718
970	AMS	0.8717
971	UNU	0.8717
972	SNU	0.8716
973	14J	0.8713
974	NSG	0.8713
975	GZ8	0.8713
976	7UC	0.8712
977	5LA	0.8711
978	1WG	0.8711
979	5VJ	0.8711
980	PRY	0.8710
981	I3E	0.8708
982	QMP	0.8705
983	47J	0.8705
984	QAS	0.8705
985	EXO	0.8705
986	TLA	0.8704
987	2CQ	0.8704
988	YQA	0.8704
989	SNO	0.8703
990	VOH	0.8701
991	A13	0.8701
992	DTR	0.8700
993	VGL	0.8699
994	RUY	0.8699
995	39U	0.8698
996	MVN	0.8697
997	Q71	0.8696
998	RNO	0.8695
999	4AN	0.8694
1000	6LW	0.8694
1001	OA3	0.8694
1002	TPA	0.8694
1003	GCO	0.8694
1004	MT5	0.8692
1005	LMR	0.8691
1006	286	0.8691
1007	HIO	0.8690
1008	FBU	0.8690
1009	FH2	0.8690
1010	SR4	0.8688
1011	II6	0.8688
1012	4V2	0.8686
1013	RPQ	0.8683
1014	YZM	0.8682
1015	MZM	0.8680
1016	8U3	0.8680
1017	AC0	0.8679
1018	LAO	0.8676
1019	GOO	0.8676
1020	AEF	0.8675
1021	2C2	0.8673
1022	150	0.8671
1023	QAT	0.8668
1024	1SA	0.8666
1025	ZZZ	0.8664
1026	4VP	0.8664
1027	UFV	0.8663
1028	AS3	0.8662
1029	KYD	0.8662
1030	0R1	0.8661
1031	LZ1	0.8661
1032	MJ2	0.8660
1033	RBL	0.8660
1034	HHH	0.8659
1035	L14	0.8658
1036	505	0.8658
1037	1VK	0.8658
1038	W81	0.8658
1039	SAF	0.8657
1040	XRG	0.8655
1041	L22	0.8654
1042	QBS	0.8653
1043	NGO	0.8651
1044	BZI	0.8650
1045	DQN	0.8650
1046	AFR	0.8650
1047	BA5	0.8648
1048	DMJ	0.8648
1049	8VN	0.8647
1050	ADK	0.8646
1051	R2P	0.8645
1052	FCR	0.8641
1053	M78	0.8641
1054	NCD	0.8641
1055	X0W	0.8639
1056	3QM	0.8638
1057	5OF	0.8636
1058	KW8	0.8635
1059	DII	0.8634
1060	AGK	0.8634
1061	OQC	0.8632
1062	SVD	0.8632
1063	KTJ	0.8631
1064	4JP	0.8629
1065	TQU	0.8627
1066	BSP	0.8624
1067	M3Q	0.8622
1068	IBM	0.8622
1069	E3D	0.8619
1070	2CZ	0.8616
1071	PEZ	0.8615
1072	TRA	0.8615
1073	H76	0.8614
1074	H8N	0.8613
1075	M44	0.8613
1076	3HG	0.8610
1077	ALE	0.8609
1078	82I	0.8608
1079	36Y	0.8603
1080	EV0	0.8603
1081	BZF	0.8602
1082	ZWZ	0.8602
1083	IDM	0.8601
1084	3MA	0.8601
1085	TH0	0.8599
1086	HX4	0.8598
1087	QQQ	0.8596
1088	LYL	0.8584
1089	7VP	0.8584
1090	DEN	0.8582
1091	5UC	0.8580
1092	49O	0.8579
1093	HFB	0.8577
1094	GLF	0.8575
1095	KJ5	0.8574
1096	8EW	0.8571
1097	B09	0.8570
1098	MT8	0.8569
1099	MS0	0.8569
1100	NYL	0.8568
1101	GBN	0.8568
1102	VM1	0.8568
1103	7MK	0.8566
1104	GAG	0.8560
1105	IBF	0.8558
1106	8TW	0.8558
1107	BCF	0.8557
1108	AH8	0.8556
1109	F9P	0.8556
1110	BBF	0.8553
1111	6J9	0.8551
1112	KMY	0.8550
1113	DHC	0.8549
1114	F81	0.8547
1115	7CZ	0.8546
1116	PEP	0.8543
1117	2CG	0.8539
1118	0CT	0.8534
1119	LT3	0.8528
1120	C5A	0.8524

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

Pocket No.: 1; Query (leader) PDB : 6SZG; Ligand: M2E; 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: 6szg.bio1) has 14 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 6SZG; Ligand: M2K; 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: 6szg.bio1) has 12 residues
No:	Leader PDB	Ligand	Sequence Similarity

APoc FAQ