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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5N9X	2.4 Å	NON-ENZYME: OTHER	STRUCTURE OF ADENYLATION DOMAIN THR1 INVOLVED IN THE BIOSYNT 4-CHLOROTHREONINE IN STREPTOMYCES SP.OH-5093, LIGAND BOUND	STREPTOMYCES SP.	ADENYLATION DOMAIN SUBSTRATE SPECIFICITY NON-RIBOSOMAL CODTHREONINE ADENYLATE LIGASE
Ref.:	STRUCTURE OF THE ADENYLATION DOMAIN THR1 INVOLVED I BIOSYNTHESIS OF 4-CHLOROTHREONINE IN STREPTOMYCES S OH-5093-PROTEIN FLEXIBILITY AND MOLECULAR BASES OF SPECIFICITY. FEBS J. V. 284 2981 2017

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
MG	A:603;	Invalid;	none;	submit data	24.305	Mg	[Mg+2...
THR	A:601;	Valid;	none;	submit data	119.119	C4 H9 N O3	C[C@H...
ATP	A:602;	Valid;	none;	submit data	507.181	C10 H16 N5 O13 P3	c1nc(...
8QN	B:601;	Valid;	none;	submit data	448.325	C14 H21 N6 O9 P	C[C@H...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5N9X	2.4 Å	NON-ENZYME: OTHER	STRUCTURE OF ADENYLATION DOMAIN THR1 INVOLVED IN THE BIOSYNT 4-CHLOROTHREONINE IN STREPTOMYCES SP.OH-5093, LIGAND BOUND	STREPTOMYCES SP.	ADENYLATION DOMAIN SUBSTRATE SPECIFICITY NON-RIBOSOMAL CODTHREONINE ADENYLATE LIGASE
Ref.:	STRUCTURE OF THE ADENYLATION DOMAIN THR1 INVOLVED I BIOSYNTHESIS OF 4-CHLOROTHREONINE IN STREPTOMYCES S OH-5093-PROTEIN FLEXIBILITY AND MOLECULAR BASES OF SPECIFICITY. FEBS J. V. 284 2981 2017

Members (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1610 families.
1	5N9X	-	THR	C4 H9 N O3	C[C@H]([C@....

70% Homology Family (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1331 families.
1	5N9X	-	THR	C4 H9 N O3	C[C@H]([C@....

50% Homology Family (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1144 families.
1	5N9X	-	THR	C4 H9 N O3	C[C@H]([C@....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: THR; Similar ligands found: 14

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	THR	1	1
2	ALO	1	1
3	VAL	0.65	0.714286
4	ALA	0.578947	0.789474
5	DAL	0.578947	0.789474
6	SKG	0.565217	0.681818
7	ILE	0.541667	0.6
8	VAH	0.541667	0.76
9	HGY	0.526316	0.625
10	AHB	0.5	0.6
11	AKB	0.434783	0.857143
12	DBB	0.434783	0.625
13	ABA	0.434783	0.625
14	LFC	0.407407	0.619048

Ligand no: 2; Ligand: ATP; Similar ligands found: 489

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	ATP	1	1
2	HEJ	1	1
3	AQP	0.985507	1
4	5FA	0.985507	1
5	AP5	0.927536	0.971831
6	B4P	0.927536	0.971831
7	BA3	0.913043	0.971831
8	ADP	0.9	1
9	A2D	0.884058	0.971831
10	AGS	0.84	0.945946
11	6YZ	0.833333	0.972222
12	AT4	0.810811	0.958904
13	AN2	0.810811	0.985915
14	25L	0.809524	0.985915
15	APR	0.802632	0.971831
16	AR6	0.802632	0.971831
17	M33	0.8	0.958333
18	ACQ	0.794872	0.972222
19	TAT	0.794872	0.958904
20	T99	0.794872	0.958904
21	AD9	0.792208	0.972222
22	ACP	0.789474	0.972222
23	A	0.788732	0.971429
24	AMP	0.788732	0.971429
25	ANP	0.772152	0.972222
26	HQG	0.756098	0.985915
27	CA0	0.753247	0.945205
28	ADX	0.753247	0.873418
29	A22	0.746988	0.985915
30	50T	0.74359	0.958333
31	KG4	0.74359	0.945205
32	PRX	0.734177	0.893333
33	APC	0.734177	0.958904
34	ABM	0.733333	0.917808
35	45A	0.733333	0.917808
36	ATF	0.731707	0.958904
37	7D4	0.730769	0.905405
38	ITT	0.730769	0.943662
39	AMP MG	0.72973	0.929577
40	ADQ	0.729412	0.945205
41	A3R	0.729412	0.907895
42	AP2	0.714286	0.958904
43	A12	0.714286	0.958904
44	A1R	0.709302	0.907895
45	SRA	0.706667	0.918919
46	JNT	0.701149	0.945205
47	5AL	0.698795	0.931507
48	8LE	0.698795	0.894737
49	ADP MG	0.696203	0.943662
50	ADP BEF	0.696203	0.943662
51	JSQ	0.695122	0.945946
52	HFD	0.695122	0.945946
53	9X8	0.693182	0.92
54	OAD	0.693182	0.945205
55	AU1	0.6875	0.972222
56	APC MG	0.682927	0.917808
57	8LH	0.682353	0.906667
58	SRP	0.682353	0.906667
59	G5P	0.680851	0.921053
60	25A	0.678161	0.971831
61	OZV	0.678161	0.971831
62	3OD	0.677778	0.945205
63	4AD	0.670455	0.92
64	G3A	0.670213	0.921053
65	8LQ	0.666667	0.906667
66	QA7	0.666667	0.894737
67	00A	0.662921	0.883117
68	ADP PO3	0.662651	0.943662
69	RBY	0.662651	0.932432
70	ADV	0.662651	0.932432
71	ATP MG	0.662651	0.943662
72	BIS	0.659341	0.933333
73	5SV	0.659091	0.848101
74	OOB	0.659091	0.931507
75	8QN	0.659091	0.931507
76	GTA	0.65625	0.886076
77	KMQ	0.655914	0.932432
78	BEF ADP	0.654762	0.917808
79	UP5	0.653061	0.92
80	AMO	0.651685	0.932432
81	PAJ	0.651685	0.884615
82	VO4 ADP	0.651163	0.945205
83	2A5	0.650602	0.918919
84	MAP	0.647727	0.945946
85	3AT	0.647059	0.971831
86	AHX	0.644444	0.896104
87	DLL	0.644444	0.931507
88	ATR	0.642857	0.971429
89	PAP	0.642857	0.985714
90	PTJ	0.641304	0.896104
91	V2G	0.639535	0.896104
92	7D3	0.6375	0.905405
93	3UK	0.637363	0.918919
94	SON	0.634146	0.932432
95	A4P	0.633663	0.843373
96	ANP MG	0.632184	0.931507
97	ALF ADP	0.632184	0.87013
98	LAD	0.630435	0.860759
99	PR8	0.630435	0.85
100	B5V	0.630435	0.906667
101	WAQ	0.630435	0.883117
102	AFH	0.628866	0.884615
103	LMS	0.628205	0.82716
104	DTP	0.627907	0.905405
105	GAP	0.627907	0.893333
106	TXA	0.623656	0.932432
107	ME8	0.623656	0.839506
108	NB8	0.623656	0.896104
109	1ZZ	0.623656	0.839506
110	FYA	0.623656	0.905405
111	DQV	0.622449	0.958333
112	T5A	0.621359	0.841463
113	XYA	0.619718	0.84507
114	RAB	0.619718	0.84507
115	ADN	0.619718	0.84507
116	DAL AMP	0.611111	0.905405
117	9SN	0.610526	0.871795
118	48N	0.61	0.896104
119	AP0	0.607843	0.896104
120	9ZD	0.604396	0.907895
121	9ZA	0.604396	0.907895
122	B5M	0.604167	0.894737
123	B5Y	0.604167	0.894737
124	FA5	0.604167	0.906667
125	NAX	0.60396	0.873418
126	DND	0.60396	0.932432
127	NAI	0.60396	0.907895
128	6V0	0.60396	0.896104
129	TXD	0.60396	0.907895
130	ADP BMA	0.602151	0.918919
131	A2R	0.6	0.985915
132	OMR	0.598039	0.851852
133	TXE	0.598039	0.907895
134	XAH	0.597938	0.839506
135	7DT	0.593023	0.985714
136	AOC	0.592593	0.821918
137	L3W	0.592233	0.932432
138	4UV	0.591837	0.894737
139	DDS	0.590909	0.878378
140	139	0.590476	0.873418
141	CNA	0.584906	0.932432
142	6AD	0.58427	0.909091
143	5AS	0.583333	0.77907
144	5N5	0.581081	0.819444
145	GA7	0.58	0.906667
146	4UU	0.58	0.894737
147	4TC	0.576923	0.896104
148	ADJ	0.575472	0.851852
149	5CD	0.573333	0.805556
150	A4D	0.573333	0.819444
151	RGT	0.571429	0.958904
152	A3P	0.571429	0.971429
153	7D5	0.56962	0.878378
154	LAQ	0.568627	0.839506
155	NO7	0.565217	0.932432
156	F2R	0.564815	0.864198
157	80F	0.563636	0.841463
158	CUU	0.563218	0.971831
159	YLP	0.563107	0.819277
160	UPA	0.561905	0.907895
161	AV2	0.56044	0.917808
162	COD	0.559633	0.811765
163	4UW	0.557692	0.860759
164	JB6	0.556701	0.883117
165	3AM	0.555556	0.929577
166	ATP A	0.555556	0.930556
167	ATP A A A	0.555556	0.930556
168	A2P	0.552941	0.957143
169	TYM	0.552381	0.906667
170	NA7	0.552083	0.958904
171	EP4	0.551282	0.753247
172	MYR AMP	0.55102	0.817073
173	PPS	0.549451	0.873418
174	YLB	0.54717	0.819277
175	YLC	0.54717	0.839506
176	DAT	0.545455	0.905405
177	NAD	0.545455	0.931507
178	H1Q	0.545455	0.90411
179	G5A	0.544444	0.77907
180	DTA	0.544304	0.786667
181	M2T	0.544304	0.734177
182	3DH	0.54321	0.773333
183	128	0.542857	0.776471
184	AHZ	0.538462	0.817073
185	SSA	0.537634	0.8
186	GTP	0.537634	0.92
187	MTA	0.5375	0.773333
188	IOT	0.537037	0.831325
189	A3D	0.535714	0.918919
190	AR6 AR6	0.533981	0.917808
191	ARG AMP	0.533981	0.829268
192	7MD	0.533981	0.8625
193	YLA	0.53211	0.819277
194	IMO	0.529412	0.929577
195	AMP DBH	0.529412	0.893333
196	TAD	0.528846	0.884615
197	AYB	0.527273	0.809524
198	HDV	0.526882	0.893333
199	A5A	0.526882	0.807229
200	TSB	0.526316	0.819277
201	EAD	0.525424	0.873418
202	2AM	0.52439	0.943662
203	6RE	0.52381	0.759494
204	6MZ	0.523256	0.930556
205	7DD	0.522727	0.985714
206	CZF	0.521739	0.931507
207	V3L	0.521739	0.971831
208	AVV	0.520833	0.896104
209	BTX	0.517857	0.841463
210	NAE	0.517241	0.894737
211	QBQ	0.516129	0.906667
212	52H	0.515789	0.77907
213	VMS	0.515789	0.788235
214	54H	0.515789	0.788235
215	NSS	0.515464	0.8
216	BT5	0.513274	0.831325
217	NAQ	0.512821	0.871795
218	ZAS	0.511905	0.766234
219	A3N	0.511628	0.786667
220	J7C	0.511628	0.769231
221	5X8	0.511111	0.763158
222	5CA	0.510417	0.8
223	53H	0.510417	0.77907
224	8X1	0.510417	0.752809
225	NVA LMS	0.510204	0.752809
226	ARU	0.510204	0.860759
227	ALF ADP 3PG	0.509259	0.8375
228	AF3 ADP 3PG	0.509259	0.8375
229	38V	0.508475	0.886076
230	ZID	0.508475	0.918919
231	P1H	0.508197	0.851852
232	OVE	0.505882	0.905405
233	S4M	0.505747	0.666667
234	LEU LMS	0.50505	0.730337
235	LPA AMP	0.504673	0.817073
236	NAD TDB	0.504587	0.917808
237	7MC	0.504587	0.841463
238	NAD IBO	0.504587	0.917808
239	D4F	0.504274	0.839506
240	P5A	0.5	0.744444
241	DZD	0.5	0.884615
242	DSZ	0.5	0.8
243	MAO	0.5	0.759036
244	DSH	0.5	0.725
245	LSS	0.5	0.761364
246	FB0	0.5	0.804598
247	NDE	0.495935	0.932432
248	N0B	0.495798	0.819277
249	M24	0.495726	0.85
250	YLY	0.495726	0.809524
251	NJP	0.495575	0.945946
252	9K8	0.49505	0.714286
253	MGP	0.494737	0.884615
254	6C6	0.494624	0.881579
255	O02	0.494624	0.921053
256	NWW	0.493671	0.760563
257	NAJ PZO	0.491379	0.848101
258	0WD	0.491228	0.921053
259	6G0	0.489583	0.884615
260	GJV	0.488636	0.75
261	6FA	0.488189	0.841463
262	5AD	0.486842	0.746479
263	KAA	0.485149	0.752809
264	GSU	0.485149	0.77907
265	71V	0.483146	0.907895
266	NEC	0.482759	0.746667
267	A3G	0.482759	0.8
268	ODP	0.482456	0.909091
269	K3K	0.480769	0.802632
270	FAS	0.48062	0.851852
271	FAD	0.48062	0.851852
272	7D7	0.480519	0.743243
273	FDA	0.480315	0.833333
274	N6P	0.48	0.915493
275	2SA	0.479167	0.932432
276	GP3	0.478723	0.921053
277	AMP NAD	0.478261	0.905405
278	SFG	0.478261	0.75
279	4TA	0.478261	0.807229
280	NDP	0.477876	0.921053
281	NPW	0.477876	0.886076
282	LQJ	0.47619	0.917808
283	NDC	0.47619	0.871795
284	YSA	0.47619	0.77907
285	NAJ PYZ	0.475	0.807229
286	MGO	0.474227	0.860759
287	NZQ	0.473684	0.909091
288	TXP	0.473684	0.921053
289	6IA	0.473684	0.8375
290	GDP	0.473684	0.92
291	A7D	0.472527	0.776316
292	J4G	0.470588	0.92
293	SFD	0.469231	0.734043
294	SA8	0.468085	0.707317
295	A5D	0.468085	0.786667
296	ZDA	0.468085	0.864865
297	12D	0.46789	0.785714
298	PGS	0.467391	0.883117
299	MHZ	0.467391	0.697674
300	8PZ	0.466667	0.8
301	62F	0.466165	0.8625
302	D5M	0.465909	0.878378
303	DA	0.465909	0.878378
304	GGZ	0.464646	0.825
305	SAH	0.463158	0.74359
306	SAI	0.463158	0.734177
307	FAY	0.462687	0.8625
308	Y3J	0.4625	0.726027
309	B1U	0.462264	0.736264
310	PO4 PO4 A A A A PO4	0.460784	0.902778
311	AAM	0.460674	0.971429
312	RFL	0.459259	0.821429
313	SMM	0.459184	0.686047
314	HF7	0.459184	0.893333
315	C2R	0.458824	0.90411
316	AMZ	0.458824	0.916667
317	SAM	0.458333	0.690476
318	K3E	0.457944	0.792208
319	A3S	0.456522	0.810811
320	FNK	0.455224	0.804598
321	7C5	0.453704	0.818182
322	AAT	0.453608	0.707317
323	EEM	0.453608	0.690476
324	NWQ	0.453488	0.739726
325	XNP	0.452991	0.873418
326	PRT	0.45283	0.931507
327	K2R	0.451923	0.88
328	AIR	0.451219	0.901408
329	62X	0.45098	0.666667
330	KOY	0.45045	0.802632
331	GSP	0.45	0.873418
332	ETB	0.45	0.833333
333	DCA	0.45	0.823529
334	N5O	0.449438	0.763158
335	NIA	0.448276	0.822785
336	A3T	0.446809	0.821918
337	K15	0.446602	0.682353
338	PUA	0.446281	0.884615
339	QXP	0.445545	0.785714
340	6K6	0.445545	0.930556
341	GEK	0.445545	0.7375
342	4YB	0.445455	0.761364
343	V47	0.444444	0.783784
344	S7M	0.444444	0.690476
345	DG1	0.443548	0.921053
346	1DG	0.443548	0.921053
347	Z5A	0.443548	0.77907
348	COA	0.442623	0.823529
349	0T1	0.442623	0.823529
350	WSA	0.442478	0.788235
351	8BR	0.43956	0.906667
352	N5A	0.43956	0.736842
353	DZ4	0.438776	0.881579
354	8Q2	0.438596	0.772727
355	101	0.438202	0.878378
356	IDP	0.4375	0.918919
357	NVA 2AD	0.4375	0.759494
358	9JJ	0.435714	0.8625
359	KY2	0.435644	0.731707
360	NAP	0.435484	0.945205
361	K2W	0.435185	0.740741
362	APU	0.434783	0.894737
363	7RP	0.433333	0.928571
364	QXG	0.432692	0.776471
365	A6D	0.432692	0.722892
366	TAP	0.432	0.907895
367	AMX	0.432	0.833333
368	COS	0.432	0.804598
369	CAO	0.432	0.795455
370	J7V	0.432	0.833333
371	30N	0.432	0.752688
372	V1N	0.431193	0.917808
373	KL2	0.430233	0.837838
374	K38	0.429907	0.779221
375	649	0.429825	0.744444
376	P5F	0.429577	0.823529
377	NA0	0.428571	0.932432
378	7RA	0.428571	0.957747
379	SCO	0.428571	0.823529
380	R2V	0.428571	0.785714
381	CMX	0.428571	0.823529
382	0UM	0.427184	0.698795
383	KYB	0.427184	0.731707
384	GAV	0.427184	0.884615
385	1RB	0.426966	0.885714
386	QQY	0.426966	0.815789
387	ACK	0.426966	0.861111
388	GCP	0.425743	0.896104
389	G1R	0.425743	0.907895
390	ACO	0.425197	0.795455
391	FCX	0.425197	0.795455
392	FAM	0.425197	0.804598
393	OZP	0.424779	0.728395
394	O05	0.424528	0.843373
395	GNH	0.424242	0.907895
396	F2N	0.423611	0.813953
397	K2H	0.423077	0.75641
398	GKE	0.422018	0.884615
399	GDC	0.422018	0.884615
400	K3H	0.422018	0.75
401	GDD	0.422018	0.884615
402	KYE	0.422018	0.714286
403	HAX	0.421875	0.804598
404	3AD	0.421687	0.805556
405	9GM	0.421569	0.896104
406	GNP	0.421569	0.896104
407	FA9	0.42069	0.864198
408	TM1	0.420561	0.77381
409	KY5	0.420561	0.725
410	KB1	0.420561	0.698795
411	9BG	0.420168	0.896104
412	H6Y	0.42	0.945205
413	2MC	0.419847	0.769231
414	KXW	0.419643	0.707317
415	FYN	0.418605	0.823529
416	3KK	0.418605	0.804598
417	S8M	0.417476	0.759494
418	7L1	0.417323	0.795455
419	26A	0.416667	0.763158
420	2VA	0.416667	0.8
421	NHD	0.416667	0.905405
422	HZ2	0.415929	0.731707
423	QQX	0.41573	0.805195
424	CA6	0.415385	0.729167
425	OXK	0.415385	0.804598
426	MCD	0.415385	0.804598
427	SOP	0.415385	0.804598
428	COK	0.415385	0.804598
429	YZS	0.415385	0.729167
430	KGP	0.415385	0.729167
431	KY8	0.415094	0.728395
432	K2K	0.415094	0.7375
433	FAJ	0.414966	0.831325
434	NX8	0.414141	0.716049
435	Q34	0.413793	0.674419
436	YE1	0.413534	0.813953
437	RMB	0.413043	0.873239
438	FAI	0.413043	0.916667
439	AS	0.413043	0.833333
440	CO6	0.412214	0.804598
441	1VU	0.412214	0.795455
442	NMX	0.412214	0.76087
443	CMC	0.412214	0.804598
444	SXZ	0.411215	0.710843
445	ANZ	0.410714	0.8
446	SCA	0.410448	0.804598
447	SCD	0.409091	0.823529
448	CAJ	0.409091	0.804598
449	NAD BBN	0.408759	0.841463
450	HY8	0.408696	0.731707
451	EO7	0.408602	0.788235
452	D3Y	0.407767	0.789474
453	CC5	0.407407	0.816901
454	KGA	0.407407	0.744681
455	KH3	0.40708	0.674419
456	PLP AAD	0.406504	0.733333
457	SLU	0.406504	0.770115
458	G	0.40625	0.906667
459	5GP	0.40625	0.906667
460	MLC	0.406015	0.804598
461	KGJ	0.406015	0.752688
462	1HE	0.406015	0.786517
463	3HC	0.406015	0.813953
464	A1S	0.406015	0.804598
465	IVC	0.406015	0.813953
466	BCO	0.406015	0.804598
467	GTG	0.405405	0.886076
468	NMN AMP PO4	0.404959	0.87013
469	Q2P	0.404959	0.674419
470	3D1	0.404762	0.773333
471	3L1	0.404762	0.773333
472	2BA	0.404255	0.915493
473	CMP	0.404255	0.901408
474	VRT	0.40404	0.769231
475	SO8	0.40404	0.789474
476	MCA	0.402985	0.795455
477	COO	0.402985	0.804598
478	CAA	0.402985	0.813953
479	SO5	0.402985	0.721649
480	LCV	0.402985	0.721649
481	NAD CJ3	0.402878	0.811765
482	3NZ	0.401869	0.782051
483	G2R	0.401869	0.884615
484	YXS	0.4	0.729167
485	2CP	0.4	0.795455
486	2FA	0.4	0.813333
487	YXR	0.4	0.729167
488	ZZB	0.4	0.77381
489	MC4	0.4	0.76087

Ligand no: 3; Ligand: 8QN; Similar ligands found: 378

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	8QN	1	1
2	5AL	0.841463	1
3	8LH	0.8	0.972603
4	SRP	0.77907	0.945946
5	PAJ	0.764045	0.922078
6	8LQ	0.761364	0.972603
7	CA0	0.746988	0.958904
8	AMO	0.744444	0.945946
9	KG4	0.738095	0.958904
10	PTJ	0.731183	0.934211
11	ME8	0.731183	0.898734
12	4AD	0.725275	0.933333
13	QA7	0.722222	0.959459
14	LAD	0.72043	0.897436
15	8LE	0.715909	0.959459
16	NB8	0.712766	0.909091
17	TXA	0.712766	0.972603
18	BA3	0.710843	0.931507
19	A2D	0.707317	0.931507
20	B4P	0.702381	0.931507
21	AP5	0.702381	0.931507
22	AN2	0.694118	0.918919
23	FA5	0.690722	0.945946
24	M33	0.686047	0.945205
25	ADP	0.682353	0.931507
26	AT4	0.674419	0.894737
27	AMP	0.670732	0.930556
28	A	0.670732	0.930556
29	5FA	0.670455	0.931507
30	PRX	0.670455	0.906667
31	AQP	0.670455	0.931507
32	ADX	0.666667	0.839506
33	45A	0.666667	0.931507
34	ABM	0.666667	0.931507
35	DLL	0.663158	0.972222
36	YLP	0.660194	0.876543
37	OOB	0.659574	0.972222
38	ATP	0.659091	0.931507
39	ACP	0.659091	0.906667
40	50T	0.659091	0.893333
41	HEJ	0.659091	0.931507
42	AR6	0.651685	0.958333
43	APR	0.651685	0.958333
44	DAL AMP	0.648936	0.972222
45	AHX	0.645833	0.884615
46	00A	0.645833	0.921053
47	AGS	0.644444	0.883117
48	AD9	0.644444	0.906667
49	AMP MG	0.642857	0.916667
50	1ZZ	0.642857	0.898734
51	9ZD	0.642105	0.946667
52	9ZA	0.642105	0.946667
53	YLC	0.641509	0.898734
54	YLB	0.641509	0.876543
55	3UK	0.639175	0.958904
56	PR8	0.632653	0.886076
57	B5V	0.632653	0.945946
58	WAQ	0.632653	0.921053
59	AP2	0.632184	0.894737
60	A12	0.632184	0.894737
61	TYM	0.632075	0.945946
62	TSB	0.631579	0.831325
63	ANP	0.630435	0.906667
64	ACQ	0.630435	0.906667
65	B5Y	0.623762	0.959459
66	B5M	0.623762	0.959459
67	SRA	0.623529	0.881579
68	OAD	0.622449	0.986111
69	A1R	0.618557	0.871795
70	AYB	0.618182	0.865854
71	ATF	0.617021	0.894737
72	9SN	0.613861	0.909091
73	48N	0.613208	0.934211
74	GAP	0.612903	0.932432
75	JNT	0.612245	0.906667
76	4UV	0.61165	0.933333
77	AU1	0.611111	0.906667
78	6YZ	0.610526	0.906667
79	3OD	0.61	0.986111
80	YLA	0.609091	0.853659
81	5SV	0.608247	0.860759
82	V2G	0.606383	0.909091
83	9X8	0.606061	0.933333
84	HQG	0.604167	0.945205
85	A3R	0.602041	0.871795
86	XAH	0.601942	0.851852
87	SON	0.6	0.945946
88	ADP MG	0.6	0.930556
89	ADP BEF	0.6	0.930556
90	4UU	0.6	0.933333
91	A22	0.597938	0.918919
92	APC	0.597826	0.894737
93	T99	0.595745	0.894737
94	TAT	0.595745	0.894737
95	FYA	0.594059	0.893333
96	25A	0.591837	0.931507
97	OZV	0.591837	0.931507
98	ADV	0.591398	0.92
99	RBY	0.591398	0.92
100	LAQ	0.588785	0.875
101	ADQ	0.585859	0.932432
102	GA7	0.584906	0.894737
103	YLY	0.581197	0.865854
104	4UW	0.577982	0.922078
105	LMS	0.574713	0.817073
106	ADP PO3	0.574468	0.930556
107	ATP MG	0.574468	0.930556
108	APC MG	0.574468	0.905405
109	VMS	0.571429	0.821429
110	54H	0.571429	0.821429
111	BEF ADP	0.568421	0.905405
112	AP0	0.567568	0.884615
113	A5A	0.56701	0.841463
114	DQV	0.564815	0.945205
115	BIS	0.563107	0.871795
116	KMQ	0.561905	0.945946
117	G3A	0.560748	0.884615
118	MYR AMP	0.557692	0.875
119	25L	0.557692	0.918919
120	IOT	0.557522	0.843373
121	AFH	0.555556	0.873418
122	G5P	0.555556	0.884615
123	N0B	0.553719	0.853659
124	ANP MG	0.55102	0.918919
125	VO4 ADP	0.55102	0.906667
126	ALF ADP	0.55102	0.858974
127	GTA	0.550459	0.875
128	MAP	0.55	0.883117
129	TXD	0.54955	0.896104
130	NAI	0.54955	0.896104
131	OMR	0.544643	0.8875
132	TXE	0.544643	0.896104
133	F2R	0.543103	0.853659
134	ARG AMP	0.541284	0.841463
135	52H	0.54	0.811765
136	L3W	0.539823	0.92
137	LSS	0.539216	0.793103
138	COD	0.538462	0.823529
139	5AS	0.537634	0.790698
140	A3T	0.536842	0.835616
141	TAD	0.536364	0.873418
142	NAX	0.535714	0.8625
143	DND	0.535714	0.945946
144	6V0	0.535714	0.884615
145	5CA	0.534653	0.790698
146	53H	0.534653	0.811765
147	BT5	0.533898	0.843373
148	JB6	0.533333	0.871795
149	2A5	0.53125	0.857143
150	ALF ADP 3PG	0.530973	0.873418
151	SSA	0.53	0.790698
152	80F	0.529412	0.853659
153	LEU LMS	0.528846	0.781609
154	AOC	0.527473	0.810811
155	7MD	0.527273	0.875
156	T5A	0.525862	0.853659
157	XYA	0.52439	0.808219
158	RAB	0.52439	0.808219
159	ADN	0.52439	0.808219
160	5CD	0.52381	0.794521
161	AMP DBH	0.522936	0.881579
162	UP5	0.522124	0.907895
163	CNA	0.521368	0.92
164	5X8	0.520833	0.8
165	G5A	0.520408	0.790698
166	AF3 ADP 3PG	0.517544	0.873418
167	DTA	0.517241	0.776316
168	3DH	0.516854	0.786667
169	A3D	0.516667	0.958904
170	M24	0.516393	0.886076
171	ADP BMA	0.514286	0.906667
172	LPA AMP	0.513274	0.851852
173	ADJ	0.512821	0.841463
174	D4F	0.512195	0.875
175	5N5	0.511905	0.783784
176	MTA	0.511364	0.786667
177	DSZ	0.509615	0.811765
178	A4P	0.508621	0.811765
179	NAQ	0.508065	0.909091
180	A4D	0.505882	0.783784
181	EP4	0.505747	0.766234
182	7D5	0.505618	0.842105
183	NVA LMS	0.504762	0.784091
184	9K8	0.504673	0.764045
185	AHZ	0.504425	0.875
186	M2T	0.5	0.746835
187	4TC	0.5	0.884615
188	UPA	0.5	0.896104
189	NAD	0.5	0.945205
190	7MC	0.5	0.876543
191	7D3	0.5	0.844156
192	SMM	0.5	0.738095
193	GSU	0.495327	0.811765
194	KAA	0.495327	0.764045
195	NSS	0.495238	0.790698
196	EEM	0.49505	0.743902
197	ATR	0.494949	0.90411
198	SA8	0.494949	0.7625
199	PAP	0.494949	0.917808
200	7D4	0.494845	0.844156
201	A3P	0.494737	0.930556
202	ATP A	0.490909	0.917808
203	ATP A A A	0.490909	0.917808
204	8X1	0.490385	0.764045
205	SAH	0.49	0.779221
206	H1Q	0.489796	0.891892
207	SFG	0.489796	0.786667
208	NAE	0.488	0.933333
209	BTX	0.487603	0.831325
210	139	0.487395	0.8625
211	YSA	0.486486	0.790698
212	SAM	0.485149	0.743902
213	FB0	0.484848	0.795455
214	EAD	0.484375	0.886076
215	6RE	0.483871	0.728395
216	P5A	0.481481	0.755556
217	A2R	0.480769	0.945205
218	PPS	0.480392	0.817073
219	6AD	0.480392	0.873418
220	ITT	0.479592	0.878378
221	A2P	0.479167	0.916667
222	3AM	0.478261	0.890411
223	8PZ	0.477477	0.790698
224	ARU	0.476636	0.82716
225	NAJ PZO	0.475806	0.860759
226	SAI	0.475248	0.769231
227	NAD TDB	0.474576	0.931507
228	NAD IBO	0.474576	0.931507
229	J7C	0.473684	0.7375
230	AR6 AR6	0.473684	0.931507
231	ZAS	0.473118	0.75641
232	DZD	0.471545	0.873418
233	NWW	0.471264	0.75
234	S7M	0.471154	0.743902
235	P1H	0.469697	0.864198
236	NDE	0.469697	0.92
237	A7D	0.469388	0.766234
238	S4M	0.46875	0.678161
239	ZID	0.46875	0.932432
240	6MZ	0.46875	0.917808
241	J4G	0.46789	0.933333
242	MAO	0.463918	0.771084
243	AMP NAD	0.463415	0.945205
244	DSH	0.463158	0.716049
245	NAJ PYZ	0.460938	0.819277
246	HFD	0.460784	0.883117
247	JSQ	0.460784	0.883117
248	CUU	0.46	0.905405
249	2VA	0.46	0.813333
250	A3N	0.458333	0.753247
251	IMO	0.458333	0.890411
252	GEK	0.457944	0.772152
253	FAS	0.456522	0.864198
254	FAD	0.456522	0.864198
255	3AT	0.456311	0.905405
256	V3L	0.456311	0.958333
257	6IA	0.456311	0.82716
258	A3S	0.454545	0.8
259	FNK	0.453901	0.795455
260	WSA	0.453782	0.8
261	0UM	0.453704	0.753086
262	GJV	0.453608	0.719512
263	2AM	0.451613	0.878378
264	A5D	0.45098	0.776316
265	SXZ	0.45045	0.765432
266	62X	0.449541	0.717647
267	A3G	0.447917	0.789474
268	NEC	0.447917	0.76
269	2SA	0.447619	0.92
270	B1U	0.447368	0.747253
271	5AD	0.447059	0.760563
272	O02	0.446602	0.860759
273	SO8	0.446602	0.802632
274	SFD	0.446043	0.744681
275	K15	0.445455	0.73494
276	NA7	0.445455	0.894737
277	FDA	0.445255	0.823529
278	V47	0.443396	0.821918
279	6FA	0.442029	0.853659
280	NDC	0.441176	0.884615
281	0WD	0.44	0.884615
282	4TA	0.44	0.841463
283	7C5	0.439655	0.831169
284	NO7	0.439252	0.87013
285	AAT	0.438095	0.698795
286	8Q2	0.438017	0.764045
287	OVE	0.4375	0.844156
288	KOY	0.436975	0.84
289	NVA 2AD	0.436893	0.772152
290	NWQ	0.43617	0.753425
291	MHZ	0.435644	0.709302
292	PGS	0.435644	0.825
293	38V	0.435115	0.851852
294	AV2	0.433962	0.855263
295	6C6	0.432692	0.846154
296	VRT	0.432692	0.782051
297	4YB	0.432203	0.793103
298	NJP	0.432	0.907895
299	DAT	0.431373	0.844156
300	QXP	0.431193	0.755814
301	AVV	0.431193	0.860759
302	FAY	0.430556	0.875
303	P5F	0.42953	0.835294
304	DTP	0.428571	0.844156
305	RFL	0.427586	0.833333
306	NDP	0.427419	0.884615
307	Y3J	0.426966	0.716216
308	ETB	0.426357	0.823529
309	DCA	0.426357	0.813953
310	K3K	0.426087	0.769231
311	AMZ	0.425532	0.878378
312	C2R	0.425532	0.891892
313	7D7	0.425287	0.733333
314	TXP	0.424	0.884615
315	NZQ	0.424	0.873418
316	62F	0.423611	0.851852
317	LQJ	0.422414	0.905405
318	GGZ	0.422018	0.792683
319	FA9	0.421053	0.853659
320	KB1	0.421053	0.731707
321	ODP	0.420635	0.873418
322	71V	0.42	0.848101
323	0T1	0.419847	0.813953
324	COA	0.419847	0.813953
325	QXG	0.419643	0.747126
326	A6D	0.419643	0.714286
327	K3E	0.418803	0.759494
328	N5O	0.418367	0.753247
329	S8M	0.418182	0.75
330	649	0.418033	0.755556
331	NPW	0.416	0.851852
332	R2V	0.415929	0.755814
333	3NZ	0.415929	0.794872
334	F2N	0.414474	0.804598
335	OZP	0.413223	0.7625
336	K2R	0.412281	0.893333
337	N6P	0.410714	0.876712
338	K2H	0.410714	0.746835
339	COS	0.410448	0.795455
340	Z5A	0.410448	0.811765
341	CAO	0.410448	0.786517
342	30N	0.410448	0.744681
343	AMX	0.410448	0.823529
344	KYE	0.410256	0.72619
345	N5A	0.41	0.727273
346	D3Y	0.409091	0.779221
347	KXW	0.408333	0.740741
348	KH3	0.408333	0.72619
349	NA0	0.407407	0.945946
350	SCO	0.407407	0.835294
351	CMX	0.407407	0.835294
352	PO4 PO4 A A A A PO4	0.40708	0.890411
353	9JJ	0.406667	0.851852
354	KGP	0.405797	0.721649
355	CA6	0.405797	0.721649
356	YZS	0.405797	0.721649
357	MCD	0.405797	0.816092
358	6K6	0.405405	0.891892
359	FAM	0.404412	0.795455
360	FCX	0.404412	0.806818
361	ACO	0.404412	0.786517
362	LCV	0.404255	0.731959
363	SO5	0.404255	0.731959
364	DA	0.40404	0.842105
365	D5M	0.40404	0.842105
366	K2K	0.403509	0.707317
367	Q34	0.403226	0.705882
368	CO6	0.402878	0.795455
369	DAL FAD PER	0.402597	0.777778
370	26A	0.402174	0.753247
371	NIA	0.402062	0.790123
372	DDS	0.401869	0.818182
373	HAX	0.40146	0.795455
374	FAD NBT	0.4	0.741935
375	FAI	0.4	0.878378
376	ANZ	0.4	0.768293
377	2MC	0.4	0.76087
378	AAM	0.4	0.930556

Similar Ligands (3D)

Ligand no: 1; Ligand: THR; Similar ligands found: 781

No:	Ligand	Similarity coefficient
1	LMR	1.0000
2	KIV	0.9980
3	DXX	0.9959
4	2RA	0.9950
5	KG7	0.9949
6	2KT	0.9913
7	03W	0.9895
8	PYR	0.9859
9	SER	0.9831
10	C2N	0.9808
11	DSN	0.9804
12	MAK	0.9790
13	DGY	0.9782
14	OXM	0.9753
15	A3B	0.9750
16	OXL	0.9747
17	CYS	0.9744
18	HIU	0.9732
19	MLA	0.9728
20	3PY	0.9714
21	DCY	0.9712
22	MLI	0.9694
23	DE2	0.9691
24	HBR	0.9690
25	THE	0.9680
26	192	0.9679
27	1AC	0.9656
28	ALQ	0.9655
29	2OP	0.9654
30	OXD	0.9650
31	MB3	0.9643
32	SMB	0.9641
33	23B	0.9616
34	QFH	0.9612
35	DAB	0.9601
36	NVA	0.9600
37	WTZ	0.9591
38	LAC	0.9586
39	AAE	0.9586
40	HSE	0.9585
41	HV2	0.9582
42	IPH	0.9582
43	MAE	0.9580
44	39J	0.9576
45	9TY	0.9574
46	IVA	0.9569
47	HDA	0.9565
48	9X7	0.9560
49	AC5	0.9557
50	HUI	0.9556
51	SSN	0.9555
52	MLM	0.9541
53	SIN	0.9539
54	TFB	0.9529
55	BAL	0.9521
56	HCS	0.9520
57	DCD	0.9509
58	ITN	0.9508
59	MLT	0.9505
60	TEO	0.9505
61	FLA	0.9503
62	3HR	0.9499
63	CEJ	0.9498
64	9YL	0.9497
65	273	0.9490
66	DMG	0.9489
67	MRY	0.9487
68	BUA	0.9487
69	MMZ	0.9484
70	2PC	0.9484
71	PRO	0.9484
72	OAA	0.9482
73	GXV	0.9481
74	GOL	0.9477
75	ITU	0.9475
76	3HL	0.9473
77	TP5	0.9467
78	AOA	0.9467
79	MEU	0.9466
80	FUM	0.9463
81	NVI	0.9462
82	BU4	0.9461
83	NMG	0.9455
84	CMS	0.9453
85	IPU	0.9450
86	GG6	0.9446
87	SMV	0.9438
88	BAQ	0.9437
89	HZP	0.9436
90	A2Q	0.9435
91	HX2	0.9434
92	HY3	0.9432
93	P2D	0.9428
94	DAS	0.9421
95	C5J	0.9420
96	URA	0.9420
97	LEU	0.9419
98	ASN	0.9409
99	ATQ	0.9405
100	JBN	0.9403
101	CHT	0.9401
102	23W	0.9396
103	HBS	0.9386
104	CSS	0.9382
105	IOM	0.9380
106	CRN	0.9380
107	UGC	0.9379
108	GBL	0.9377
109	69O	0.9376
110	ASP	0.9373
111	CYH	0.9373
112	PRS	0.9366
113	T2C	0.9363
114	XLS	0.9362
115	IMR	0.9359
116	BUO	0.9358
117	PAE	0.9350
118	26D	0.9348
119	DTL	0.9348
120	5AC	0.9348
121	NIS	0.9342
122	TAY	0.9342
123	R1X	0.9341
124	R2B	0.9341
125	BUB	0.9335
126	280	0.9333
127	3GR	0.9333
128	JZ3	0.9333
129	PYM	0.9330
130	YCP	0.9329
131	ECE	0.9326
132	HAI	0.9325
133	NXA	0.9324
134	2IM	0.9322
135	ICN	0.9319
136	J1Z	0.9319
137	FOA	0.9318
138	CP	0.9317
139	C21	0.9317
140	ODV	0.9316
141	PLQ	0.9316
142	5FX	0.9316
143	IQ0	0.9310
144	FPY	0.9302
145	YHO	0.9301
146	JYD	0.9297
147	F3V	0.9292
148	BEN	0.9291
149	SAR	0.9287
150	CXL	0.9284
151	TF4	0.9284
152	XUL	0.9281
153	MZ0	0.9281
154	CRS	0.9279
155	HPY	0.9279
156	FW5	0.9279
157	TMZ	0.9278
158	DPR	0.9277
159	HQE	0.9276
160	BAE	0.9274
161	ARB	0.9274
162	HVQ	0.9272
163	FPN	0.9271
164	BVG	0.9269
165	LEA	0.9266
166	4CH	0.9264
167	7EX	0.9264
168	VX	0.9264
169	2MH	0.9263
170	60P	0.9262
171	LER	0.9261
172	POA	0.9260
173	40O	0.9260
174	PPF	0.9260
175	GOA	0.9259
176	ORN	0.9258
177	DA1	0.9258
178	FPI	0.9256
179	GBD	0.9255
180	ABN	0.9253
181	IT2	0.9249
182	PRI	0.9247
183	LDU	0.9246
184	SYN	0.9245
185	265	0.9244
186	ETF	0.9242
187	278	0.9241
188	4JU	0.9241
189	PYC	0.9241
190	RSF	0.9240
191	LG4	0.9238
192	HLT	0.9235
193	PCA	0.9234
194	FAH	0.9234
195	PPI	0.9231
196	3OH	0.9231
197	V1L	0.9231
198	H95	0.9231
199	TAR	0.9230
200	TZC	0.9230
201	BEW	0.9230
202	GAG	0.9229
203	25R	0.9228
204	DUC	0.9228
205	CIZ	0.9228
206	RBL	0.9225
207	8X3	0.9224
208	PXY	0.9224
209	NK	0.9222
210	R8A	0.9222
211	GLY	0.9220
212	FJO	0.9217
213	BVC	0.9217
214	PCR	0.9214
215	25T	0.9210
216	TMT	0.9210
217	COI	0.9209
218	EDG	0.9209
219	SNE	0.9209
220	HBX	0.9208
221	2HA	0.9208
222	SAT	0.9207
223	2CO	0.9206
224	NCA	0.9206
225	TAU	0.9205
226	SAL	0.9203
227	SGL	0.9203
228	4XX	0.9199
229	L60	0.9196
230	4DX	0.9196
231	BE2	0.9193
232	2HE	0.9191
233	4MV	0.9191
234	34V	0.9190
235	MRZ	0.9189
236	3ZQ	0.9189
237	IDH	0.9188
238	NTN	0.9186
239	PCT	0.9186
240	RIP	0.9185
241	9CL	0.9183
242	Z6J	0.9183
243	HYP	0.9182
244	98J	0.9180
245	P7I	0.9179
246	HGQ	0.9178
247	HAE	0.9178
248	APY	0.9177
249	BEZ	0.9177
250	I2M	0.9176
251	1CB	0.9175
252	JZ5	0.9175
253	QDK	0.9174
254	282	0.9174
255	BAM	0.9174
256	OXQ	0.9173
257	MZW	0.9171
258	93B	0.9168
259	EHM	0.9168
260	WBU	0.9167
261	RUU	0.9164
262	TMH	0.9164
263	FCN	0.9162
264	BZI	0.9160
265	BNS	0.9160
266	XPO	0.9159
267	URF	0.9157
268	RP7	0.9155
269	BML	0.9154
270	BMD	0.9153
271	XYP	0.9146
272	HSL	0.9146
273	4AX	0.9146
274	286	0.9145
275	XYS	0.9145
276	ICC	0.9145
277	1SP	0.9145
278	FUL	0.9144
279	2AP	0.9143
280	5Y9	0.9143
281	BTL	0.9141
282	ABU	0.9138
283	6SP	0.9137
284	AMC	0.9137
285	1MR	0.9136
286	HVK	0.9135
287	IDM	0.9134
288	NIE	0.9133
289	VNJ	0.9133
290	284	0.9133
291	51F	0.9133
292	TB6	0.9133
293	1DH	0.9132
294	NIO	0.9130
295	285	0.9129
296	PGA	0.9129
297	XBT	0.9126
298	PZA	0.9125
299	KSW	0.9125
300	D2P	0.9123
301	1DU	0.9122
302	MBN	0.9121
303	UYA	0.9121
304	9PO	0.9120
305	ICF	0.9120
306	SRT	0.9119
307	NBE	0.9116
308	PY7	0.9115
309	7VD	0.9115
310	4AP	0.9115
311	PYJ	0.9115
312	LXC	0.9114
313	PYF	0.9114
314	3AP	0.9113
315	NBZ	0.9113
316	F50	0.9113
317	DCL	0.9110
318	4HS	0.9109
319	LGA	0.9109
320	KPL	0.9108
321	DEN	0.9108
322	1AB	0.9107
323	WOT	0.9107
324	HYN	0.9106
325	IND	0.9105
326	COM	0.9103
327	DTU	0.9102
328	4JN	0.9102
329	DFU	0.9101
330	3U4	0.9101
331	HIO	0.9100
332	CNH	0.9099
333	GLV	0.9099
334	XYL	0.9098
335	RB5	0.9098
336	TZZ	0.9097
337	S0H	0.9097
338	GXE	0.9096
339	6PC	0.9093
340	3SK	0.9091
341	CAQ	0.9091
342	NAK	0.9089
343	QSC	0.9089
344	ROR	0.9089
345	MPD	0.9088
346	SS2	0.9088
347	HRZ	0.9087
348	FUC	0.9082
349	2EZ	0.9080
350	JAB	0.9080
351	JZ1	0.9078
352	PUT	0.9078
353	B24	0.9076
354	8FH	0.9076
355	PAF	0.9075
356	2AS	0.9075
357	VGL	0.9073
358	BXO	0.9073
359	2YU	0.9070
360	1DQ	0.9070
361	SEJ	0.9069
362	XAP	0.9067
363	RIB	0.9066
364	PBC	0.9064
365	UNU	0.9063
366	4CS	0.9062
367	2RH	0.9061
368	BZF	0.9060
369	JZ9	0.9060
370	0TR	0.9056
371	ARA	0.9056
372	KYD	0.9056
373	PBE	0.9055
374	AZF	0.9054
375	E60	0.9054
376	4JP	0.9053
377	HSW	0.9052
378	FCA	0.9051
379	0R1	0.9051
380	LZ1	0.9051
381	IHG	0.9050
382	4HO	0.9048
383	GVH	0.9048
384	FUF	0.9048
385	0R0	0.9047
386	XIX	0.9046
387	3BB	0.9046
388	IOL	0.9046
389	MTG	0.9045
390	O7U	0.9044
391	FUB	0.9043
392	YTB	0.9042
393	HT4	0.9042
394	MPI	0.9042
395	CYT	0.9041
396	TZL	0.9038
397	ZBT	0.9038
398	H3M	0.9038
399	1MC	0.9037
400	8EZ	0.9035
401	MWM	0.9034
402	0MK	0.9033
403	JKE	0.9032
404	PG3	0.9032
405	IP0	0.9031
406	TAN	0.9031
407	1AN	0.9030
408	NEQ	0.9029
409	FMS	0.9028
410	AKR	0.9027
411	ETM	0.9027
412	KMT	0.9027
413	8CL	0.9026
414	MMU	0.9026
415	PYG	0.9026
416	RCO	0.9025
417	1PT	0.9024
418	40E	0.9024
419	LG3	0.9023
420	24T	0.9023
421	0CT	0.9020
422	93Q	0.9020
423	MCT	0.9020
424	MET	0.9020
425	NCM	0.9019
426	TB0	0.9019
427	32O	0.9018
428	HPA	0.9013
429	DMV	0.9013
430	TDR	0.9012
431	AC0	0.9012
432	GIF	0.9011
433	8GF	0.9008
434	M58	0.9006
435	92Z	0.9006
436	4ZE	0.9005
437	OK7	0.9004
438	TLA	0.9004
439	TZE	0.9003
440	2MP	0.9002
441	PEP	0.9001
442	FSG	0.9000
443	AHR	0.8999
444	3SL	0.8999
445	PAV	0.8996
446	DTT	0.8992
447	2A3	0.8991
448	3CH	0.8991
449	9SB	0.8991
450	2DR	0.8990
451	3SY	0.8990
452	TM7	0.8990
453	HSM	0.8989
454	FPK	0.8988
455	34A	0.8987
456	ISU	0.8986
457	DYA	0.8984
458	3MC	0.8983
459	HBA	0.8978
460	7CZ	0.8977
461	4SV	0.8974
462	VSO	0.8973
463	BVF	0.8971
464	TH0	0.8971
465	DTI	0.8971
466	FP2	0.8970
467	XBZ	0.8968
468	LG5	0.8965
469	TTO	0.8965
470	9X6	0.8964
471	FBA	0.8963
472	5MH	0.8961
473	ICP	0.8960
474	PYD	0.8960
475	938	0.8960
476	H76	0.8958
477	4VP	0.8954
478	BUQ	0.8954
479	4SD	0.8954
480	OHG	0.8952
481	BP9	0.8951
482	6X8	0.8951
483	8LG	0.8950
484	1XX	0.8950
485	IFM	0.8950
486	7HP	0.8948
487	FAC	0.8947
488	A1U	0.8946
489	5JC	0.8943
490	2AC	0.8943
491	SS1	0.8943
492	43M	0.8942
493	HHN	0.8942
494	3FA	0.8940
495	GLU	0.8938
496	GMN	0.8936
497	275	0.8936
498	4CL	0.8933
499	DMI	0.8933
500	FFP	0.8933
501	SLP	0.8932
502	FP1	0.8931
503	HTS	0.8930
504	2CH	0.8930
505	LNO	0.8930
506	XYD	0.8929
507	FLM	0.8928
508	HVB	0.8928
509	MBD	0.8927
510	UY7	0.8927
511	MZG	0.8927
512	BE7	0.8926
513	BDR	0.8924
514	L89	0.8922
515	OPE	0.8921
516	6JN	0.8920
517	ES6	0.8920
518	3V4	0.8918
519	JZ0	0.8918
520	2MY	0.8918
521	DPF	0.8917
522	PPR	0.8916
523	AGK	0.8915
524	2C9	0.8914
525	JZ2	0.8913
526	1WD	0.8911
527	5UC	0.8910
528	MSF	0.8909
529	4JJ	0.8908
530	6UA	0.8908
531	OXE	0.8907
532	AMT	0.8904
533	URP	0.8902
534	4JO	0.8902
535	OEM	0.8902
536	6M4	0.8900
537	MED	0.8898
538	CIG	0.8898
539	7WV	0.8896
540	QOS	0.8894
541	54D	0.8894
542	GUA	0.8894
543	EGD	0.8894
544	M6W	0.8893
545	PAH	0.8891
546	76X	0.8890
547	64K	0.8888
548	27Y	0.8888
549	3CL	0.8887
550	BR9	0.8886
551	CP2	0.8883
552	JBE	0.8882
553	OXZ	0.8881
554	NMJ	0.8877
555	ADE	0.8876
556	1LN	0.8871
557	YAN	0.8870
558	KOJ	0.8869
559	4XR	0.8865
560	0V5	0.8864
561	MWJ	0.8864
562	PIH	0.8863
563	PPV	0.8862
564	3CE	0.8861
565	6MH	0.8861
566	2A1	0.8859
567	LRH	0.8858
568	ABE	0.8858
569	2AF	0.8858
570	4H2	0.8855
571	MZY	0.8853
572	HEW	0.8852
573	ETX	0.8851
574	RAM	0.8850
575	URQ	0.8848
576	TFS	0.8847
577	BSX	0.8845
578	TSZ	0.8845
579	SC2	0.8844
580	GLN	0.8840
581	T6C	0.8839
582	8GC	0.8839
583	M3T	0.8839
584	4HA	0.8839
585	2CM	0.8838
586	3MH	0.8836
587	J3K	0.8834
588	9A4	0.8832
589	HGW	0.8831
590	47J	0.8829
591	3MT	0.8828
592	6HQ	0.8826
593	1P3	0.8825
594	2XX	0.8824
595	SPV	0.8823
596	TM4	0.8818
597	1BP	0.8818
598	L3Q	0.8815
599	PHB	0.8815
600	3ZS	0.8814
601	SKJ	0.8813
602	SVJ	0.8813
603	4MZ	0.8812
604	6MP	0.8812
605	2TQ	0.8810
606	3XX	0.8809
607	HY1	0.8809
608	260	0.8804
609	F05	0.8804
610	NPO	0.8802
611	TLD	0.8801
612	PXO	0.8800
613	BHO	0.8800
614	14J	0.8796
615	DUB	0.8793
616	IUR	0.8791
617	B3R	0.8791
618	6AI	0.8791
619	7MH	0.8790
620	261	0.8789
621	XM0	0.8789
622	MSE	0.8787
623	C2A	0.8786
624	FYU	0.8785
625	AUD	0.8785
626	BZX	0.8783
627	1MZ	0.8782
628	9DA	0.8782
629	FAN	0.8781
630	2MZ	0.8778
631	MNM	0.8777
632	9EW	0.8777
633	7WA	0.8776
634	TNE	0.8770
635	ES4	0.8770
636	BP1	0.8768
637	10L	0.8768
638	CFI	0.8767
639	3TR	0.8764
640	Z82	0.8763
641	XXR	0.8762
642	61G	0.8761
643	HOW	0.8760
644	ISZ	0.8760
645	6F0	0.8760
646	HHQ	0.8759
647	LLQ	0.8759
648	9HX	0.8755
649	JZ6	0.8754
650	6CS	0.8753
651	2AI	0.8753
652	4JL	0.8753
653	TH7	0.8752
654	PM6	0.8749
655	POP	0.8749
656	14O	0.8748
657	DFB	0.8748
658	RSO	0.8746
659	MR3	0.8746
660	2CK	0.8742
661	5MB	0.8741
662	MTD	0.8741
663	2PN	0.8740
664	2K4	0.8740
665	13D	0.8740
666	5KX	0.8739
667	ZZT	0.8738
668	13P	0.8737
669	Y8I	0.8737
670	5H1	0.8736
671	2MI	0.8736
672	GLY GLY	0.8735
673	270	0.8734
674	AX7	0.8734
675	JAE	0.8733
676	C2B	0.8733
677	5MI	0.8732
678	13X	0.8729
679	CXF	0.8728
680	F60	0.8728
681	JIF	0.8728
682	DZZ	0.8727
683	QUZ	0.8726
684	BTE	0.8726
685	7A8	0.8726
686	5MP	0.8722
687	MMQ	0.8722
688	XRG	0.8721
689	NSP	0.8721
690	24B	0.8721
691	3AB	0.8721
692	0RW	0.8720
693	SVN	0.8720
694	MLE	0.8714
695	ES9	0.8710
696	MYQ	0.8709
697	IFL	0.8708
698	2LP	0.8708
699	6M9	0.8707
700	1DV	0.8705
701	PEL	0.8704
702	3NT	0.8702
703	BYZ	0.8701
704	11S	0.8699
705	AX2	0.8699
706	EFS	0.8699
707	HMH	0.8698
708	FQI	0.8696
709	RHU	0.8692
710	271	0.8691
711	HMU	0.8691
712	BR8	0.8691
713	1Y8	0.8687
714	WDL	0.8682
715	G6D	0.8682
716	MFB	0.8682
717	ARW	0.8681
718	PTO	0.8680
719	NPY	0.8678
720	RNS	0.8677
721	BRP	0.8676
722	G4D	0.8676
723	PEA	0.8672
724	94N	0.8671
725	PZI	0.8669
726	PYZ	0.8667
727	JZ4	0.8667
728	53C	0.8663
729	PMB	0.8662
730	3AY	0.8661
731	N8P	0.8657
732	ES3	0.8654
733	2BN	0.8654
734	M1A	0.8653
735	H8N	0.8653
736	NOJ	0.8652
737	ABV	0.8648
738	5M0	0.8645
739	RM4	0.8645
740	4PW	0.8638
741	F81	0.8633
742	911	0.8629
743	MAN	0.8626
744	9TZ	0.8623
745	23A	0.8622
746	OVV	0.8618
747	AKG	0.8617
748	8H8	0.8613
749	PIS	0.8611
750	FCB	0.8608
751	CNL	0.8605
752	TIU	0.8604
753	DSS	0.8601
754	SJ5	0.8601
755	PBZ	0.8601
756	AC6	0.8597
757	GRE	0.8596
758	CAE	0.8595
759	ACH	0.8595
760	3Q7	0.8594
761	67N	0.8591
762	SW7	0.8591
763	2ZV	0.8591
764	2ZX	0.8587
765	T9G	0.8583
766	IF7	0.8583
767	MGX	0.8581
768	GAB	0.8580
769	7WG	0.8580
770	FBV	0.8578
771	CAM	0.8572
772	HX3	0.8568
773	GLC	0.8567
774	NIZ	0.8566
775	MXN	0.8561
776	NHY	0.8547
777	ATO	0.8544
778	5NU	0.8542
779	5HN	0.8540
780	6M1	0.8520
781	3BZ	0.8510

Ligand no: 2; Ligand: ATP; Similar ligands found: 41

No:	Ligand	Similarity coefficient
1	ADP AF3	0.9964
2	ADP ALF	0.9801
3	ADP VO4	0.9704
4	BEF GDP	0.9696
5	GDP ALF	0.9646
6	GDP AF3	0.9633
7	GDP BEF	0.9621
8	ALF GDP	0.9621
9	DBG	0.9581
10	CTP	0.9340
11	UTP	0.9337
12	GDP MG	0.9246
13	DGT	0.9177
14	DCP	0.9141
15	DCP MG	0.9114
16	8DG	0.9051
17	MGT	0.9049
18	6U4	0.8990
19	2KH	0.8972
20	MSP	0.8951
21	TTP	0.8917
22	MOD	0.8909
23	8GT	0.8879
24	G2P	0.8852
25	DGI	0.8847
26	2TM	0.8819
27	L3U	0.8814
28	M7G	0.8804
29	GP2	0.8802
30	DUT	0.8788
31	UNP	0.8786
32	Y9Z	0.8773
33	F6G	0.8769
34	DUP	0.8755
35	GH3	0.8730
36	D3T	0.8684
37	0RC	0.8650
38	BUP	0.8621
39	DUT MG	0.8599
40	UDP	0.8570
41	TYR AMP	0.8561

Ligand no: 3; Ligand: 8QN; Similar ligands found: 3

No:	Ligand	Similarity coefficient
1	7DT	0.8706
2	DGT	0.8658
3	GDP	0.8633

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

Pocket No.: 1; Query (leader) PDB : 5N9X; Ligand: 8QN; Similar sites found with APoc: 5

This union binding pocket(no: 1) in the query (biounit: 5n9x.bio2) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6IJB	AMP	28.1664
2	3CW9	AMP	44.8413
3	3CW9	AMP	44.8413
4	1AMU	AMP	48.0151
5	1AMU	AMP	48.0151

Pocket No.: 2; Query (leader) PDB : 5N9X; Ligand: ATP; Similar sites found with APoc: 9

This union binding pocket(no: 2) in the query (biounit: 5n9x.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6OZ1	AMP	8.12854
2	5MST	AMP	23.8185
3	5MST	AMP	23.8185
4	5MSD	AMP	26.276
5	6IJB	AMP	28.1664
6	6AKD	A5A	44.0454
7	3CW9	AMP	44.8413
8	1AMU	AMP	48.0151
9	1AMU	AMP	48.0151

Pocket No.: 3; Query (leader) PDB : 5N9X; Ligand: THR; 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: 5n9x.bio1) has 11 residues
No:	Leader PDB	Ligand	Sequence Similarity

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