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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5W8C	1.85 Å	EC: 7.-.-.-	THE STRUCTURE OF A COA-DEPENDENT ACYL-HOMOSERINE LACTONE SYN BJAI, WITH MTA AND ISOVALERYL-COA	BRADYRHIZOBIUM JAPONICUM	ACYL-HOMOSERINE LACTONE COENZYME A BJAI BIOSYNTHETIC PROT
Ref.:	MOLECULAR BASIS FOR THE SUBSTRATE SPECIFICITY OF QU SIGNAL SYNTHASES. PROC. NATL. ACAD. SCI. V. 114 9092 2017 U.S.A.

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
GOL	A:303;	Invalid;	none;	submit data	92.094	C3 H8 O3	C(C(C...
CL	A:304; A:305;	Invalid; Invalid;	none; none;	submit data	35.453	Cl	[Cl-]
MTA	A:302;	Valid;	none;	submit data	297.334	C11 H15 N5 O3 S	CSC[C...
IVC	A:301;	Valid;	none;	submit data	851.651	C26 H44 N7 O17 P3 S	CC(C)...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5W8E	1.8 Å	EC: 7.-.-.-	THE STRUCTURE OF A COA-DEPENDENT ACYL-HOMOSERINE LACTONE SYN BJAI, WITH THE ADDUCT OF SAH AND IV-COA	BRADYRHIZOBIUM JAPONICUM	ACYL-HOMOSERINE LACTONE COENZYME A BJAI BIOSYNTHETIC PROT
Ref.:	MOLECULAR BASIS FOR THE SUBSTRATE SPECIFICITY OF QU SIGNAL SYNTHASES. PROC. NATL. ACAD. SCI. V. 114 9092 2017 U.S.A.

Members (5)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 319 families.
1	5W8A	-	A1S	C26 H46 N7 O16 P3 S	CC(C)CCSCC....
2	5W8G	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
3	5W8C	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
4	5W8E	-	SXZ	C19 H28 N6 O6 S	CC(C)CC(=O....
5	5W8D	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....

70% Homology Family (5)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 271 families.
1	5W8A	-	A1S	C26 H46 N7 O16 P3 S	CC(C)CCSCC....
2	5W8G	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
3	5W8C	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
4	5W8E	-	SXZ	C19 H28 N6 O6 S	CC(C)CC(=O....
5	5W8D	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....

50% Homology Family (5)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 223 families.
1	5W8A	-	A1S	C26 H46 N7 O16 P3 S	CC(C)CCSCC....
2	5W8G	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
3	5W8C	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
4	5W8E	-	SXZ	C19 H28 N6 O6 S	CC(C)CC(=O....
5	5W8D	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: MTA; Similar ligands found: 324

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	MTA	1	1
2	DTA	0.786885	0.867647
3	3DH	0.777778	0.938462
4	RAB	0.758621	0.878788
5	XYA	0.758621	0.878788
6	ADN	0.758621	0.878788
7	DSH	0.705882	0.84507
8	5N5	0.704918	0.878788
9	A4D	0.693548	0.907692
10	5CD	0.693548	0.892308
11	EP4	0.6875	0.939394
12	M2T	0.676923	0.940298
13	A7D	0.657534	0.882353
14	5X8	0.64	0.895522
15	5AD	0.639344	0.857143
16	A	0.628571	0.794521
17	LMS	0.628571	0.719512
18	ZAS	0.628571	0.816901
19	AMP	0.628571	0.794521
20	A5D	0.623377	0.867647
21	SAH	0.615385	0.869565
22	J7C	0.60274	0.794521
23	ABM	0.60274	0.821918
24	45A	0.60274	0.821918
25	AAT	0.6	0.797297
26	AMP MG	0.597222	0.805556
27	6RE	0.597222	0.783784
28	SRA	0.597222	0.776316
29	S4M	0.594595	0.84
30	AOC	0.589041	0.880597
31	MAO	0.586667	0.805195
32	S8M	0.583333	0.833333
33	A3N	0.581081	0.867647
34	A2D	0.581081	0.773333
35	5AS	0.578947	0.697674
36	GJV	0.573333	0.773333
37	NWW	0.567164	0.815385
38	BA3	0.565789	0.773333
39	AP2	0.565789	0.74359
40	A12	0.565789	0.74359
41	M33	0.564103	0.810811
42	MHZ	0.564103	0.805195
43	AU1	0.564103	0.753247
44	ADX	0.564103	0.719512
45	ADP	0.558442	0.773333
46	B4P	0.558442	0.773333
47	AP5	0.558442	0.773333
48	7D7	0.553846	0.794118
49	Y3J	0.552239	0.80303
50	SON	0.551282	0.74359
51	ADP MG	0.551282	0.794521
52	ADP BEF	0.551282	0.794521
53	AT4	0.551282	0.766234
54	AN2	0.551282	0.763158
55	SXZ	0.550562	0.849315
56	PRX	0.55	0.8
57	A6D	0.545455	0.766234
58	CA0	0.544304	0.753247
59	SA8	0.54321	0.873239
60	AD9	0.54321	0.753247
61	EEM	0.542169	0.849315
62	ATP	0.5375	0.773333
63	SFG	0.5375	0.826087
64	KG4	0.5375	0.753247
65	H1Q	0.5375	0.783784
66	ACP	0.5375	0.753247
67	HEJ	0.5375	0.773333
68	50T	0.5375	0.763158
69	AR6	0.530864	0.773333
70	AQP	0.530864	0.773333
71	5FA	0.530864	0.773333
72	APC	0.530864	0.74359
73	APR	0.530864	0.773333
74	ANP	0.53012	0.753247
75	SAM	0.53012	0.875
76	SMM	0.529412	0.84
77	3AM	0.527027	0.756757
78	NEC	0.526316	0.823529
79	AGS	0.52439	0.75641
80	APC MG	0.52439	0.773333
81	ADV	0.52439	0.74359
82	RBY	0.52439	0.74359
83	ADP PO3	0.52439	0.794521
84	ATP MG	0.52439	0.794521
85	8LE	0.52381	0.75641
86	5AL	0.52381	0.786667
87	V2G	0.52381	0.716049
88	VMS	0.523256	0.705882
89	54H	0.523256	0.705882
90	3AD	0.521739	0.863636
91	MTH	0.520548	0.984127
92	SAI	0.518072	0.830986
93	BEF ADP	0.518072	0.773333
94	G5A	0.518072	0.678161
95	A5A	0.517647	0.722892
96	ME8	0.516484	0.797468
97	NWQ	0.513514	0.846154
98	GAP	0.511905	0.753247
99	TAT	0.511905	0.766234
100	ACQ	0.511905	0.753247
101	T99	0.511905	0.766234
102	S7M	0.511628	0.824324
103	8LH	0.511628	0.789474
104	8QN	0.511364	0.786667
105	9ZA	0.511364	0.769231
106	9ZD	0.511364	0.769231
107	CC5	0.507463	0.876923
108	A3G	0.506494	0.828571
109	A3P	0.506329	0.77027
110	HQG	0.505747	0.763158
111	52H	0.505747	0.697674
112	NVA LMS	0.5	0.693182
113	VO4 ADP	0.5	0.753247
114	KY2	0.5	0.776316
115	ATF	0.5	0.74359
116	MAP	0.5	0.734177
117	ALF ADP	0.5	0.734177
118	MTP	0.5	0.828571
119	8LQ	0.5	0.789474
120	7D5	0.5	0.714286
121	ANP MG	0.5	0.763158
122	53H	0.5	0.697674
123	DAL AMP	0.5	0.786667
124	TSB	0.5	0.714286
125	QA7	0.5	0.779221
126	8X1	0.5	0.655556
127	U4Y	0.494949	0.833333
128	5SV	0.494382	0.759494
129	25A	0.494382	0.773333
130	6YZ	0.494253	0.753247
131	SRP	0.494253	0.74359
132	V47	0.494253	0.838235
133	SSA	0.494253	0.678161
134	2AM	0.493333	0.746667
135	26A	0.492958	0.867647
136	A3R	0.488889	0.725
137	PAJ	0.488889	0.75
138	LSS	0.488889	0.701149
139	KYB	0.488889	0.776316
140	A1R	0.488889	0.725
141	ADQ	0.488889	0.753247
142	DSZ	0.488889	0.678161
143	0UM	0.488889	0.810811
144	N5O	0.487179	0.788732
145	KL2	0.486486	0.72
146	3OD	0.483871	0.776316
147	62X	0.483516	0.815789
148	AHX	0.483516	0.716049
149	K2H	0.483516	0.911765
150	5CA	0.483146	0.678161
151	A22	0.483146	0.763158
152	2VA	0.481928	0.855072
153	A3T	0.481928	0.880597
154	SP1	0.480519	0.75
155	RP1	0.480519	0.75
156	3D1	0.478873	0.8
157	3L1	0.478873	0.8
158	LEU LMS	0.478261	0.709302
159	9X8	0.478261	0.779221
160	K15	0.478261	0.813333
161	OAD	0.478261	0.776316
162	QXP	0.477778	0.702381
163	OZV	0.477778	0.773333
164	GEK	0.477778	0.833333
165	OOB	0.477778	0.763158
166	A3S	0.47561	0.84058
167	N5A	0.475	0.785714
168	OVE	0.474359	0.74026
169	K2K	0.473118	0.808219
170	P5A	0.473118	0.648352
171	PR8	0.473118	0.698795
172	NSS	0.472527	0.678161
173	AMO	0.472527	0.74359
174	4AD	0.472527	0.734177
175	6MD	0.472222	0.893939
176	2FA	0.472222	0.816901
177	NOC	0.471429	0.791045
178	NVA 2AD	0.470588	0.833333
179	A2P	0.469136	0.756757
180	2BA	0.469136	0.767123
181	CMP	0.469136	0.777778
182	TXA	0.468085	0.766234
183	9K8	0.468085	0.674157
184	1ZZ	0.468085	0.731707
185	PTJ	0.468085	0.759494
186	QQX	0.467532	0.714286
187	DLL	0.467391	0.763158
188	00A	0.467391	0.725
189	JNT	0.467391	0.753247
190	5F1	0.465753	0.782609
191	KY5	0.463158	0.819444
192	MYR AMP	0.463158	0.731707
193	3UK	0.462366	0.753247
194	QXG	0.462366	0.694118
195	ADP BMA	0.462366	0.753247
196	ACK	0.461538	0.739726
197	QQY	0.461538	0.723684
198	B5V	0.457447	0.74359
199	R2V	0.457447	0.702381
200	LAD	0.457447	0.707317
201	KY8	0.457447	0.797297
202	GSU	0.457447	0.678161
203	WAQ	0.457447	0.725
204	KAA	0.457447	0.655556
205	PPS	0.454545	0.698795
206	B5Y	0.453608	0.75641
207	KMQ	0.453608	0.766234
208	B5M	0.453608	0.75641
209	PAP	0.453488	0.76
210	FYA	0.452632	0.763158
211	BIS	0.452632	0.725
212	NB8	0.452632	0.716049
213	JB6	0.452632	0.746835
214	1DA	0.452055	0.878788
215	KYE	0.44898	0.75641
216	K3H	0.44898	0.873239
217	XAH	0.44898	0.690476
218	SO8	0.448276	0.869565
219	VRT	0.448276	0.84507
220	25L	0.447917	0.763158
221	KB1	0.447917	0.786667
222	4UV	0.444444	0.734177
223	9SN	0.443299	0.716049
224	K38	0.443299	0.830986
225	NX8	0.443182	0.783784
226	V3L	0.443182	0.773333
227	NWZ	0.44186	0.77027
228	LAQ	0.441176	0.710843
229	7D3	0.439024	0.696203
230	FA5	0.438776	0.74359
231	ATP A	0.438776	0.783784
232	K3K	0.438776	0.830986
233	ATP A A A	0.438776	0.783784
234	8PZ	0.438776	0.678161
235	J1A	0.4375	0.740741
236	LPA AMP	0.436893	0.710843
237	J1C	0.435897	0.67033
238	GA7	0.435644	0.789474
239	AFH	0.435644	0.707317
240	7MD	0.435644	0.690476
241	4UU	0.435644	0.734177
242	J1B	0.434783	0.67033
243	K2W	0.434343	0.786667
244	B1U	0.434343	0.641304
245	YSA	0.434343	0.678161
246	4UW	0.432692	0.75
247	TXD	0.432692	0.746835
248	ARJ	0.432432	0.776119
249	MCF	0.432099	0.842857
250	GTA	0.431373	0.731707
251	KXW	0.431373	0.797297
252	TAD	0.431373	0.728395
253	4YB	0.431373	0.662921
254	KH3	0.431373	0.802632
255	AMP DBH	0.43	0.753247
256	K3E	0.43	0.819444
257	IVH	0.428571	0.813333
258	HZ2	0.427184	0.776316
259	AHZ	0.427184	0.731707
260	3NZ	0.427083	0.833333
261	G3A	0.425743	0.716049
262	7C5	0.425743	0.773333
263	2A5	0.425287	0.708861
264	ERJ	0.425	0.835821
265	AP0	0.424528	0.7375
266	Q2M	0.424528	0.8
267	L3W	0.424528	0.74359
268	7MC	0.424528	0.694118
269	TT8	0.423913	0.898551
270	48N	0.423077	0.7375
271	YLP	0.423077	0.694118
272	KOY	0.423077	0.805556
273	H73	0.422764	0.663043
274	CNA	0.422018	0.74359
275	ARG AMP	0.421569	0.682353
276	G5P	0.421569	0.716049
277	AR6 AR6	0.421569	0.773333
278	ATR	0.420455	0.746667
279	101	0.419753	0.714286
280	D3Y	0.419355	0.816901
281	EU9	0.419048	0.722892
282	NAI	0.419048	0.725
283	NAX	0.419048	0.698795
284	HY8	0.419048	0.776316
285	DND	0.419048	0.74359
286	6V0	0.419048	0.716049
287	7D4	0.418605	0.696203
288	DQV	0.417476	0.763158
289	KF5	0.416667	0.614286
290	TXE	0.415094	0.725
291	649	0.415094	0.648352
292	OMR	0.415094	0.722892
293	DA	0.414634	0.714286
294	D5M	0.414634	0.714286
295	CUU	0.413793	0.75
296	ADJ	0.412844	0.702381
297	T5A	0.412844	0.694118
298	139	0.412844	0.698795
299	J4G	0.412371	0.734177
300	Q34	0.411215	0.75641
301	NAD IBO	0.411215	0.773333
302	8Q2	0.411215	0.655556
303	YLB	0.411215	0.714286
304	F0P	0.411215	0.797297
305	YLC	0.411215	0.710843
306	NAD TDB	0.411215	0.773333
307	J1D	0.410714	0.628866
308	OZP	0.409524	0.797297
309	AYB	0.409091	0.705882
310	A2R	0.408602	0.763158
311	A4P	0.407407	0.659091
312	UP5	0.40566	0.734177
313	F2R	0.405405	0.674419
314	6MZ	0.404762	0.808219
315	IOT	0.40367	0.666667
316	6CR	0.402597	0.805556
317	TYM	0.401869	0.74359
318	ALF ADP 3PG	0.401869	0.707317
319	AF3 ADP 3PG	0.401869	0.707317
320	N37	0.401869	0.780822
321	WSA	0.401869	0.686047
322	4TA	0.401786	0.702381
323	Q2V	0.4	0.786667
324	YLA	0.4	0.674419

Ligand no: 2; Ligand: IVC; Similar ligands found: 180

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	IVC	1	1
2	3HC	0.919355	1
3	1VU	0.903226	0.977273
4	BCO	0.888889	0.988506
5	HGG	0.882812	0.988506
6	MLC	0.874016	0.988506
7	1HE	0.874016	0.966292
8	ACO	0.870968	0.977273
9	CAA	0.867188	1
10	SCA	0.860465	0.988506
11	CO6	0.858268	0.988506
12	3KK	0.857143	0.988506
13	HXC	0.854962	0.966292
14	CAO	0.854839	0.955056
15	COS	0.854839	0.965909
16	MCA	0.852713	0.977273
17	OXK	0.850394	0.988506
18	FAQ	0.847328	0.988506
19	FYN	0.84252	0.988372
20	CO8	0.842105	0.966292
21	GRA	0.840909	0.988506
22	IRC	0.839695	1
23	2MC	0.837209	0.945055
24	DCC	0.835821	0.966292
25	5F9	0.835821	0.966292
26	ST9	0.835821	0.966292
27	MYA	0.835821	0.966292
28	MFK	0.835821	0.966292
29	UCC	0.835821	0.966292
30	TGC	0.834586	0.977273
31	YXR	0.832061	0.895833
32	YXS	0.832061	0.895833
33	HDC	0.830882	0.966292
34	A1S	0.830769	0.965909
35	0T1	0.830645	0.965517
36	DCA	0.829268	0.943182
37	COO	0.824427	0.988506
38	CS8	0.823529	0.955556
39	SOP	0.821705	0.965909
40	COK	0.821705	0.965909
41	MC4	0.818182	0.934783
42	COA	0.816	0.988372
43	CMC	0.815385	0.965909
44	BYC	0.81203	0.988506
45	COW	0.81203	0.977273
46	KFV	0.81203	0.905263
47	1GZ	0.81203	0.977273
48	30N	0.811024	0.904255
49	BCA	0.80597	0.977273
50	2CP	0.804511	0.955056
51	ETB	0.8	0.910112
52	AMX	0.796875	0.976744
53	YNC	0.792857	0.977273
54	CMX	0.790698	0.965517
55	SCO	0.790698	0.965517
56	2NE	0.788321	0.966292
57	1CZ	0.788321	0.977273
58	MRR	0.785714	0.966292
59	MRS	0.785714	0.966292
60	2KQ	0.785185	0.966292
61	COF	0.785185	0.944444
62	3CP	0.785185	0.965909
63	FCX	0.784615	0.933333
64	FAM	0.784615	0.94382
65	CAJ	0.781955	0.94382
66	MCD	0.780303	0.94382
67	KGP	0.780303	0.895833
68	YZS	0.780303	0.895833
69	4CA	0.779412	0.955056
70	HAX	0.778626	0.94382
71	CCQ	0.775362	0.945055
72	WCA	0.771429	0.966292
73	SCD	0.768657	0.965517
74	CA6	0.766917	0.876289
75	NHM	0.765957	0.944444
76	UOQ	0.765957	0.944444
77	NHW	0.765957	0.944444
78	4KX	0.765957	0.955556
79	0ET	0.764286	0.944444
80	CIC	0.76259	0.965909
81	8Z2	0.762238	0.955556
82	NMX	0.761194	0.893617
83	1CV	0.758865	0.988506
84	LCV	0.757353	0.886598
85	SO5	0.757353	0.886598
86	0FQ	0.757143	0.965909
87	4CO	0.757143	0.955056
88	DAK	0.755245	0.955556
89	J5H	0.755245	0.988506
90	01A	0.751773	0.923913
91	KGJ	0.75	0.884211
92	CA8	0.746377	0.895833
93	YE1	0.744526	0.954545
94	NHQ	0.739726	0.977012
95	HFQ	0.736111	0.944444
96	KGA	0.733813	0.875
97	1HA	0.72973	0.966292
98	7L1	0.723881	0.977273
99	F8G	0.72	0.924731
100	COT	0.72	0.965909
101	UCA	0.716129	0.966292
102	01K	0.713333	0.965909
103	S0N	0.713287	0.94382
104	CA3	0.699346	0.965909
105	CO7	0.695035	0.988506
106	CA5	0.687898	0.923913
107	BUA COA	0.671329	0.954545
108	RMW	0.666667	0.966292
109	93P	0.6625	0.955056
110	COD	0.661654	0.976744
111	N9V	0.655405	0.933333
112	93M	0.652439	0.955056
113	6NA COA	0.648649	0.933333
114	PLM COA	0.635762	0.933333
115	X90 COA	0.635762	0.933333
116	MYR COA	0.635762	0.933333
117	EO3 COA	0.635762	0.933333
118	DKA COA	0.635762	0.933333
119	DAO COA	0.635762	0.933333
120	DCR COA	0.635762	0.933333
121	4BN	0.633721	0.924731
122	5TW	0.633721	0.924731
123	HMG	0.633333	0.954545
124	OXT	0.622093	0.924731
125	JBT	0.606742	0.905263
126	COA FLC	0.605634	0.954023
127	ASP ASP ASP ILE NH2 CMC	0.57485	0.922222
128	BSJ	0.573864	0.934066
129	PAP	0.54918	0.802326
130	SFC	0.530488	0.966292
131	RFC	0.530488	0.966292
132	ACE SER ASP ALY THR NH2 COA	0.519126	0.922222
133	MET VAL ASN ALA CMC	0.516484	0.922222
134	PPS	0.511811	0.744681
135	0WD	0.503401	0.78022
136	A3P	0.5	0.790698
137	ACE MET LEU GLY PRO NH2 COA	0.482051	0.922222
138	5AD NJS	0.463277	0.923913
139	PTJ	0.442857	0.862069
140	A22	0.441176	0.804598
141	QA7	0.441176	0.83908
142	PUA	0.43949	0.811111
143	3AM	0.439024	0.77907
144	A2R	0.433824	0.804598
145	ATR	0.431818	0.790698
146	UBG	0.427746	0.835165
147	A2D	0.425197	0.793103
148	PAJ	0.42446	0.873563
149	HQG	0.423358	0.804598
150	3OD	0.422535	0.816092
151	AGS	0.421053	0.818182
152	8LQ	0.42029	0.827586
153	9BG	0.419355	0.78022
154	NA7	0.41844	0.848837
155	NDP	0.415584	0.78022
156	ADP	0.415385	0.813953
157	2A5	0.413534	0.837209
158	AR6	0.413534	0.793103
159	APR	0.413534	0.793103
160	48N	0.413333	0.8
161	8LE	0.411765	0.83908
162	OAD	0.408451	0.816092
163	BA3	0.407692	0.793103
164	ATP	0.406015	0.813953
165	HEJ	0.406015	0.813953
166	YLB	0.405229	0.897727
167	B4P	0.40458	0.793103
168	AP5	0.40458	0.793103
169	ADQ	0.404255	0.795455
170	YLP	0.403974	0.876405
171	AQP	0.402985	0.813953
172	5FA	0.402985	0.813953
173	ME8	0.402778	0.833333
174	APU	0.402597	0.777778
175	AN2	0.401515	0.804598
176	5AL	0.40146	0.804598
177	JNT	0.401408	0.837209
178	NJP	0.401274	0.797753
179	25L	0.4	0.804598
180	DQV	0.4	0.804598

Similar Ligands (3D)

Ligand no: 1; Ligand: MTA; Similar ligands found: 422

No:	Ligand	Similarity coefficient
1	MTM	1.0000
2	MTI	0.9853
3	TBN	0.9783
4	IMH	0.9771
5	FMC	0.9756
6	9DI	0.9753
7	NOS	0.9743
8	AD3	0.9739
9	FMB	0.9735
10	5FD	0.9722
11	UA2	0.9705
12	FM1	0.9685
13	DBM	0.9669
14	TAL	0.9667
15	PRH	0.9608
16	HPR	0.9608
17	GMP	0.9568
18	FTU	0.9566
19	EKH	0.9559
20	FM2	0.9559
21	IMG	0.9559
22	AFX	0.9549
23	MDR	0.9526
24	PUR	0.9523
25	8OX	0.9519
26	5NB	0.9518
27	5ID	0.9518
28	RPP	0.9517
29	4UO	0.9516
30	N8M	0.9499
31	SNI	0.9489
32	CFE	0.9459
33	3BH	0.9407
34	DNB	0.9403
35	MG7	0.9390
36	2FD	0.9359
37	TDI	0.9356
38	GNG	0.9349
39	CL9	0.9342
40	Z8B	0.9340
41	IMP	0.9327
42	5I5	0.9317
43	FMP	0.9299
44	MZR	0.9267
45	5UD	0.9262
46	C1Y	0.9254
47	3Q0	0.9252
48	DCF	0.9247
49	13A	0.9244
50	EO7	0.9234
51	F01	0.9233
52	RFZ	0.9228
53	5GP	0.9223
54	IRP	0.9220
55	AS	0.9216
56	THM	0.9209
57	NNR	0.9204
58	URI	0.9201
59	TIZ	0.9195
60	CTN	0.9193
61	G	0.9186
62	RBV	0.9184
63	71V	0.9175
64	XMP	0.9173
65	HO4	0.9170
66	B86	0.9168
67	TO1	0.9162
68	BMC	0.9154
69	8OP	0.9146
70	IMU	0.9144
71	7CI	0.9142
72	8HG	0.9133
73	CDY	0.9133
74	DI	0.9112
75	15Q	0.9075
76	TMC	0.9066
77	6CG	0.9066
78	I5A	0.9064
79	UUA	0.9062
80	DGP	0.9057
81	5BT	0.9054
82	DG	0.9052
83	TIA	0.9051
84	MCY	0.9050
85	0DN	0.9048
86	G7M	0.9045
87	28A	0.9044
88	3DT	0.9041
89	C2R	0.9036
90	MZP	0.9030
91	XYP XYP	0.9026
92	7G2	0.9025
93	DIH	0.9025
94	8BR	0.9018
95	SCT	0.9017
96	DUR	0.9016
97	TR7	0.9014
98	AMZ	0.9012
99	5MD	0.9011
100	NIA	0.9007
101	H7S	0.9002
102	DCZ	0.8996
103	8GM	0.8988
104	4F0	0.8988
105	TMP	0.8986
106	2TU	0.8977
107	38B	0.8970
108	XYS AZI XYS	0.8968
109	XYS XYS	0.8967
110	HDU	0.8961
111	U	0.8959
112	ZYV	0.8956
113	EAT	0.8953
114	ACE TRP	0.8950
115	PIR	0.8948
116	AHU	0.8945
117	LVY	0.8942
118	LOX XYP	0.8937
119	C	0.8935
120	RVD	0.8935
121	U5P	0.8934
122	TYU	0.8932
123	NIR	0.8932
124	9MK	0.8931
125	6MA	0.8931
126	THU	0.8929
127	IM5	0.8928
128	9ME	0.8925
129	EXX	0.8919
130	VCE	0.8917
131	5AE	0.8911
132	C5P	0.8908
133	NEO	0.8908
134	U14	0.8906
135	SGP	0.8904
136	28B	0.8903
137	CTD	0.8902
138	URD	0.8902
139	SGV	0.8899
140	GPK	0.8894
141	CX5	0.8893
142	6OG	0.8893
143	FNU	0.8892
144	XTS	0.8891
145	PFU	0.8891
146	XEV	0.8889
147	DK4	0.8888
148	581	0.8888
149	5P7	0.8886
150	9UL	0.8880
151	TGW	0.8879
152	IMK	0.8872
153	II4	0.8871
154	2QU	0.8869
155	C4F	0.8866
156	9PP	0.8865
157	93A	0.8864
158	IXG	0.8863
159	MTE	0.8862
160	UFP	0.8862
161	GA2	0.8858
162	BRY	0.8856
163	TKW	0.8854
164	D64	0.8854
165	BGC GAL	0.8852
166	XYP XDN	0.8847
167	XDN XYP	0.8847
168	NYM	0.8846
169	Q2S	0.8843
170	2GE	0.8840
171	JLN	0.8840
172	5CM	0.8840
173	XYP AHR	0.8838
174	NQ7	0.8838
175	XIF XYP	0.8837
176	RVP	0.8836
177	M83	0.8834
178	I0D	0.8834
179	ID2	0.8834
180	CH	0.8830
181	4K2	0.8830
182	IXM	0.8828
183	AZZ	0.8826
184	XIL	0.8824
185	MN QAY	0.8823
186	X29	0.8823
187	NXB	0.8822
188	4I5	0.8821
189	RVC	0.8818
190	GEO	0.8816
191	UX0	0.8814
192	XYS XYP	0.8812
193	4G2	0.8810
194	92O	0.8808
195	16B	0.8802
196	XYP XIF	0.8800
197	5BX	0.8797
198	5FU	0.8796
199	8OG	0.8796
200	JFS	0.8795
201	X2M	0.8791
202	8DA	0.8790
203	OS2	0.8790
204	UMP	0.8790
205	XYP XYS	0.8789
206	7VF	0.8788
207	Q92	0.8788
208	SSI	0.8782
209	72H	0.8780
210	6J3	0.8780
211	XYP XIM	0.8780
212	XDL XYP	0.8779
213	ZJB	0.8777
214	QNI	0.8777
215	F4U	0.8777
216	4GU	0.8772
217	GP0	0.8769
218	6U5	0.8768
219	LU2	0.8767
220	DBS	0.8766
221	PCG	0.8760
222	EF2	0.8759
223	2GD	0.8757
224	145	0.8753
225	TRP	0.8752
226	4MP	0.8752
227	R38	0.8751
228	TVZ	0.8749
229	5HU	0.8747
230	Y70	0.8745
231	DFL	0.8745
232	18E	0.8743
233	UP6	0.8741
234	JSX	0.8739
235	NCN	0.8737
236	1FL	0.8736
237	W29	0.8735
238	7CH	0.8733
239	B5A	0.8733
240	JMQ	0.8733
241	EFX	0.8731
242	FC2	0.8730
243	21E	0.8729
244	TCL	0.8728
245	2QV	0.8728
246	BMP	0.8727
247	1XS	0.8724
248	RVB	0.8723
249	H2U	0.8723
250	6SX	0.8722
251	MHR	0.8720
252	C9B	0.8720
253	A4G	0.8719
254	DU	0.8718
255	5BU	0.8718
256	1SF	0.8717
257	FT3	0.8714
258	ZEB	0.8714
259	SY4	0.8712
260	NMN	0.8711
261	HVE	0.8709
262	DCM	0.8708
263	4EZ	0.8708
264	JO5	0.8705
265	7GY	0.8704
266	1Q4	0.8703
267	0GA	0.8703
268	CTE	0.8702
269	JOB	0.8700
270	ANU	0.8699
271	AV4	0.8698
272	K8W	0.8698
273	NEU	0.8697
274	ZSP	0.8697
275	MBY	0.8696
276	EZB	0.8696
277	7EL	0.8693
278	GF7	0.8693
279	EZN	0.8693
280	DDN	0.8691
281	5V7	0.8691
282	J84	0.8690
283	DC	0.8689
284	5IU	0.8689
285	IA2	0.8687
286	NUP	0.8686
287	DUS	0.8681
288	JF8	0.8680
289	MR6	0.8679
290	BMQ	0.8679
291	272	0.8677
292	JY4	0.8676
293	NE1	0.8676
294	TH4	0.8675
295	S1D	0.8673
296	FT1	0.8670
297	DHZ	0.8669
298	HBI	0.8668
299	NWL	0.8668
300	UMC	0.8667
301	CAR	0.8667
302	R9G	0.8664
303	DDU	0.8660
304	AR3	0.8660
305	4L2	0.8658
306	3RP	0.8657
307	CQW	0.8656
308	M2E	0.8656
309	6SW	0.8654
310	ISX	0.8654
311	TYP	0.8653
312	U4J	0.8653
313	PE2	0.8650
314	M01	0.8650
315	H4B	0.8650
316	6NZ	0.8648
317	AX8	0.8647
318	FT2	0.8645
319	VBC	0.8644
320	WCU	0.8644
321	RK4	0.8643
322	P2G	0.8641
323	P2L	0.8640
324	FN5	0.8640
325	DTE	0.8639
326	MEX	0.8638
327	6SZ	0.8638
328	6TX	0.8637
329	BIO	0.8636
330	T3P	0.8635
331	0OK	0.8634
332	CNU	0.8634
333	147	0.8633
334	NVS	0.8631
335	35G	0.8631
336	1KN	0.8630
337	AOJ	0.8630
338	M16	0.8630
339	9RM	0.8627
340	5YA	0.8625
341	OSY	0.8625
342	27M	0.8624
343	VIB	0.8624
344	C2M	0.8622
345	53X	0.8621
346	BZM	0.8620
347	H75	0.8618
348	7G1	0.8617
349	885	0.8617
350	BRD	0.8615
351	42R	0.8614
352	5GV	0.8611
353	96Z	0.8610
354	ZIQ	0.8609
355	FB4	0.8609
356	M0Y	0.8609
357	UM3	0.8609
358	KS5	0.8608
359	BMA BMA	0.8605
360	5R9	0.8605
361	5JT	0.8604
362	QRP	0.8603
363	Q4G	0.8603
364	K80	0.8603
365	801	0.8601
366	CC6	0.8600
367	0DJ	0.8599
368	5HM	0.8598
369	BGC BGC	0.8598
370	IM4	0.8597
371	Q9T	0.8596
372	DOC	0.8594
373	MMA XYP	0.8593
374	BIG	0.8592
375	H70	0.8592
376	GLC GAL	0.8590
377	UKV	0.8589
378	14Z	0.8588
379	T3S	0.8587
380	774	0.8586
381	C0H	0.8583
382	E44	0.8583
383	16Z	0.8581
384	UL1	0.8580
385	G30	0.8580
386	5E4	0.8580
387	H2B	0.8576
388	T4A	0.8576
389	CZ0	0.8573
390	GAT	0.8570
391	CJZ	0.8570
392	PSU	0.8570
393	PBQ	0.8569
394	5E5	0.8567
395	9W7	0.8562
396	CD9	0.8562
397	M0N	0.8559
398	GFE	0.8557
399	B21	0.8552
400	S0G	0.8551
401	VM7	0.8551
402	AGI	0.8551
403	3WK	0.8550
404	VUP	0.8550
405	VJJ	0.8549
406	SX3	0.8548
407	IMV	0.8547
408	GQE	0.8542
409	QME	0.8535
410	MR5	0.8533
411	2GP	0.8533
412	BGC BMA	0.8532
413	MR4	0.8530
414	OUA	0.8526
415	JO8	0.8524
416	0SY	0.8521
417	BC3	0.8519
418	DCN	0.8519
419	8GP	0.8515
420	KP2	0.8513
421	ZEA	0.8509
422	WV7	0.8509

Ligand no: 2; Ligand: IVC; 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 : 5W8E; Ligand: SXZ; 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: 5w8e.bio1) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 5W8E; Ligand: ADE; 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: 5w8e.bio1) has 33 residues
No:	Leader PDB	Ligand	Sequence Similarity

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