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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
2QUI	2.4 Å	EC: 6.1.1.2	CRYSTAL STRUCTURES OF HUMAN TRYPTOPHANYL-TRNA SYNTHETASE IN COMPLEX WITH TRYPTOPHANAMIDE AND ATP	HOMO SAPIENS	AMINOACYL-TRNA SYNTHETASE ROSSMANN FOLD INDUCED-FIT MECHNISM ATP-BINDING CYTOPLASM LIGASE NUCLEOTIDE- BINDING PROTEIN BIOSYNTHESIS
Ref.:	CATALYTIC MECHANISM OF THE TRYPTOPHAN ACTIVATION REACTION REVEALED BY CRYSTAL STRUCTURES OF HUMAN TRYPTOPHANYL-TRNA SYNTHETASE IN DIFFERENT ENZYMATIC STATES NUCLEIC ACIDS RES. V. 36 1288 2008

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
ATP	A:502;	Valid;	none;	submit data	507.181	C10 H16 N5 O13 P3	c1nc(...
LTN	A:501; B:478;	Valid; Valid;	none; none;	submit data	203.24	C11 H13 N3 O	c1ccc...
MG	A:500;	Part of Protein;	none;	submit data	24.305	Mg	[Mg+2...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
1R6T	2.1 Å	EC: 6.1.1.2	CRYSTAL STRUCTURE OF HUMAN TRYPTOPHANYL-TRNA SYNTHETASE	HOMO SAPIENS	CLASS IC TRNA SYNTHETASE ROSSMANN FOLD CATALYTICAL DOMAIN RECOGNITION DOMAIN BOUND TRP-AMP LIGASE
Ref.:	CRYSTAL STRUCTURES THAT SUGGEST LATE DEVELOPMENT OF CODE COMPONENTS FOR DIFFERENTIATING AROMATIC SIDE C PROC.NATL.ACAD.SCI.USA V. 100 15376 2003

Members (5)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 6 families.
1	5UJJ	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
2	2QUI	-	LTN	C11 H13 N3 O	c1ccc2c(c1....
3	1R6T	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
4	2QUJ	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....
5	2QUH	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....

70% Homology Family (6)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	1R6U	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
2	5UJJ	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
3	2QUI	-	LTN	C11 H13 N3 O	c1ccc2c(c1....
4	1R6T	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
5	2QUJ	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....
6	2QUH	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....

50% Homology Family (7)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1R6U	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
2	4J75	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
3	5UJJ	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
4	2QUI	-	LTN	C11 H13 N3 O	c1ccc2c(c1....
5	1R6T	-	TYM	C21 H24 N7 O8 P	c1ccc2c(c1....
6	2QUJ	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....
7	2QUH	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; 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: 2; Ligand: LTN; Similar ligands found: 22

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	LTN	1	1
2	DTR	0.765957	0.777778
3	TRP	0.765957	0.777778
4	TR7	0.705882	0.692308
5	TRP GLY	0.631579	0.744186
6	TSR	0.5625	0.878788
7	VSK	0.529412	0.711111
8	1TZ	0.514286	0.711111
9	TSS	0.5	0.666667
10	LYS TRP	0.492754	0.727273
11	GLU ASP ASN ASP TRP ASN	0.472222	0.711111
12	R59	0.469697	0.681818
13	R38	0.469697	0.681818
14	ZIQ	0.465517	0.682927
15	IAD	0.4375	0.697674
16	61P	0.433735	0.680851
17	IAG	0.433333	0.697674
18	ASP TRP ASN	0.421053	0.711111
19	IAV	0.415385	0.697674
20	MET ASN TRP ASN ILE	0.414634	0.653061
21	FT6	0.409836	0.7
22	TYR GLU TRP	0.409639	0.680851

Similar Ligands (3D)

Ligand no: 1; 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: 2; Ligand: LTN; Similar ligands found: 704

No:	Ligand	Similarity coefficient
1	3IL	0.9880
2	IOP	0.9826
3	4OG	0.9784
4	ALN	0.9738
5	C0W	0.9701
6	9BF	0.9655
7	96Z	0.9647
8	78U	0.9597
9	EXR	0.9587
10	ITW	0.9568
11	NIY	0.9559
12	EXL	0.9541
13	CTE	0.9536
14	I2E	0.9523
15	2UD	0.9498
16	YOF	0.9495
17	DAH	0.9493
18	KYN	0.9476
19	IOS	0.9469
20	IAC	0.9460
21	5B2	0.9454
22	FWD	0.9437
23	9F8	0.9431
24	9UL	0.9417
25	HWH	0.9409
26	8XL	0.9409
27	3IB	0.9397
28	TOH	0.9396
29	CWD	0.9396
30	B41	0.9386
31	3SU	0.9386
32	2GQ	0.9386
33	4Z9	0.9384
34	BWD	0.9352
35	LL1	0.9351
36	GZV	0.9332
37	2FX	0.9332
38	MQB	0.9323
39	NVU	0.9321
40	ASE	0.9316
41	5WN	0.9314
42	GO2	0.9314
43	M3Q	0.9312
44	363	0.9309
45	IYR	0.9308
46	CC5	0.9306
47	5ER	0.9290
48	AVA	0.9290
49	AZY	0.9285
50	IWD	0.9282
51	KF5	0.9277
52	3D1	0.9276
53	DXK	0.9269
54	F40	0.9263
55	TMG	0.9262
56	FPL	0.9256
57	3D8	0.9249
58	NAL	0.9249
59	2LT	0.9248
60	XI7	0.9242
61	5F5	0.9242
62	NWD	0.9237
63	SY4	0.9231
64	5F8	0.9227
65	HH6	0.9227
66	5FL	0.9224
67	2JX	0.9219
68	9JT	0.9217
69	DHC	0.9216
70	DTE	0.9210
71	WLH	0.9209
72	EV2	0.9208
73	RVE	0.9207
74	PIQ	0.9205
75	HWD	0.9204
76	VM1	0.9203
77	MJ5	0.9198
78	B5A	0.9198
79	BB4	0.9195
80	PF1	0.9193
81	CH8	0.9193
82	AUV	0.9191
83	LSQ	0.9187
84	SYE	0.9180
85	BIO	0.9175
86	7D7	0.9174
87	H7S	0.9172
88	22L	0.9168
89	5AD	0.9167
90	C4E	0.9166
91	ENO	0.9164
92	JYW	0.9162
93	5TO	0.9161
94	THM	0.9159
95	CX4	0.9156
96	4GU	0.9152
97	0LO	0.9150
98	833	0.9150
99	JXT	0.9149
100	HJH	0.9146
101	6FG	0.9144
102	JYT	0.9143
103	X6P	0.9138
104	DUR	0.9135
105	APS	0.9134
106	ZON	0.9133
107	4Z1	0.9130
108	ZEA	0.9126
109	JY2	0.9123
110	EQA	0.9122
111	M5H	0.9121
112	CUT	0.9119
113	0OL	0.9118
114	PLP	0.9116
115	TZM	0.9116
116	BRH	0.9111
117	Q5M	0.9107
118	BY5	0.9105
119	EWG	0.9104
120	4MP	0.9103
121	GXG	0.9103
122	A73	0.9102
123	PQT	0.9100
124	EXG	0.9098
125	MMS	0.9096
126	EQW	0.9094
127	SSY	0.9093
128	4AU	0.9093
129	WVV	0.9092
130	JYK	0.9091
131	MDR	0.9091
132	FER	0.9090
133	MP5	0.9089
134	9B3	0.9088
135	AM1	0.9086
136	M02	0.9084
137	PW1	0.9084
138	ARP	0.9083
139	S3C	0.9082
140	TCR	0.9080
141	7AP	0.9080
142	TYR	0.9079
143	LR2	0.9078
144	JXK	0.9078
145	4BX	0.9077
146	H4B	0.9076
147	4XF	0.9071
148	DBS	0.9069
149	FNA	0.9067
150	NFZ	0.9066
151	PMP	0.9066
152	1QP	0.9065
153	1V1	0.9065
154	HBI	0.9065
155	GO8	0.9064
156	92O	0.9063
157	BZQ	0.9062
158	MD6	0.9061
159	TRF	0.9061
160	JCZ	0.9059
161	5OO	0.9058
162	25F	0.9058
163	YE6	0.9058
164	RCM	0.9058
165	DTY	0.9058
166	2LW	0.9057
167	QMS	0.9057
168	5E5	0.9056
169	ZZA	0.9053
170	6J9	0.9052
171	G6P	0.9052
172	TU0	0.9051
173	AMR	0.9049
174	ALE	0.9048
175	II4	0.9047
176	3VW	0.9046
177	848	0.9045
178	LRW	0.9044
179	20D	0.9044
180	6MW	0.9042
181	PVK	0.9042
182	ET0	0.9040
183	NPA	0.9035
184	DFL	0.9035
185	6C5	0.9035
186	PFF	0.9034
187	YE7	0.9032
188	0FR	0.9030
189	NKI	0.9029
190	2UB	0.9028
191	BZM	0.9028
192	D8Q	0.9027
193	QUS	0.9026
194	YF3	0.9026
195	G14	0.9024
196	EUH	0.9024
197	VYM	0.9023
198	SZ5	0.9020
199	N7I	0.9020
200	6DQ	0.9020
201	6DP	0.9020
202	GJK	0.9018
203	6HP	0.9017
204	CPW	0.9016
205	0K7	0.9015
206	657	0.9014
207	PVQ	0.9014
208	3EB	0.9014
209	NIR	0.9013
210	D1Y	0.9013
211	DHY	0.9012
212	SBK	0.9012
213	ZME	0.9012
214	54X	0.9011
215	FCW	0.9011
216	F52	0.9011
217	NFM	0.9010
218	5V7	0.9010
219	61M	0.9010
220	PHE	0.9009
221	LDC	0.9009
222	TI7	0.9008
223	MJW	0.9007
224	3F4	0.9006
225	AMQ	0.9004
226	ZIP	0.9003
227	FTV	0.9002
228	EYJ	0.9001
229	CGW	0.8998
230	CHQ	0.8998
231	EVO	0.8997
232	KP2	0.8995
233	JPQ	0.8995
234	ENG	0.8993
235	JFS	0.8991
236	EN1	0.8989
237	7L4	0.8988
238	SRO	0.8988
239	6C8	0.8987
240	RDV	0.8986
241	0OY	0.8985
242	SOJ	0.8985
243	1FE	0.8984
244	H35	0.8983
245	AC2	0.8983
246	5TZ	0.8982
247	7EH	0.8981
248	4MB	0.8979
249	OUB	0.8978
250	S7G	0.8978
251	BSA	0.8978
252	5P3	0.8976
253	A5H	0.8975
254	X2M	0.8975
255	3D3	0.8975
256	QBM	0.8973
257	EV3	0.8971
258	PUE	0.8970
259	5JT	0.8969
260	HA6	0.8967
261	MEX	0.8966
262	GXD	0.8965
263	WV7	0.8963
264	DEW	0.8962
265	272	0.8961
266	ARJ	0.8961
267	X0T	0.8961
268	L5D	0.8959
269	CUH	0.8959
270	8OE	0.8957
271	ZSP	0.8957
272	8OB	0.8956
273	0A1	0.8956
274	THU	0.8955
275	EYY	0.8954
276	TYC	0.8953
277	57O	0.8952
278	IQQ	0.8952
279	RK4	0.8952
280	F5C	0.8949
281	67Y	0.8949
282	B21	0.8949
283	PLR	0.8948
284	HVE	0.8948
285	P80	0.8948
286	6HO	0.8945
287	ADN	0.8945
288	CMU	0.8943
289	ABF	0.8942
290	PRO GLY	0.8942
291	4BF	0.8940
292	SLY	0.8940
293	Q4G	0.8939
294	JGY	0.8939
295	CIY	0.8936
296	3GX	0.8935
297	FCD	0.8932
298	BG6	0.8932
299	JHY	0.8932
300	BK9	0.8931
301	TPM	0.8931
302	JSX	0.8930
303	NQ7	0.8925
304	S1D	0.8925
305	VBC	0.8921
306	RNK	0.8918
307	PE2	0.8914
308	GNW	0.8913
309	8U3	0.8912
310	28S	0.8911
311	9CE	0.8911
312	HA5	0.8909
313	4FE	0.8909
314	HC4	0.8904
315	HX8	0.8903
316	790	0.8902
317	4FF	0.8902
318	Y3L	0.8902
319	69K	0.8901
320	GA2	0.8901
321	B4O	0.8901
322	49P	0.8900
323	LLT	0.8900
324	8RK	0.8899
325	4GP	0.8899
326	1Q4	0.8899
327	2KU	0.8898
328	W8G	0.8896
329	TLM	0.8895
330	CUQ	0.8892
331	1OH	0.8891
332	6C4	0.8891
333	M01	0.8891
334	DCZ	0.8890
335	L21	0.8889
336	LVD	0.8889
337	NFA	0.8887
338	DDU	0.8886
339	1PS	0.8885
340	TOM	0.8884
341	PHI	0.8884
342	1ER	0.8884
343	5WM	0.8884
344	TB8	0.8883
345	6N4	0.8882
346	BXZ	0.8882
347	6C9	0.8882
348	HSX	0.8880
349	E9S	0.8879
350	H2B	0.8879
351	G1P	0.8879
352	4NS	0.8877
353	3AK	0.8876
354	N1E	0.8875
355	QIV	0.8875
356	3B4	0.8874
357	4EU	0.8874
358	RGK	0.8873
359	NFK	0.8872
360	NEU	0.8871
361	1V4	0.8871
362	GHQ	0.8870
363	4K2	0.8869
364	WA2	0.8869
365	QUB	0.8868
366	CFA	0.8867
367	5NN	0.8867
368	I59	0.8866
369	MIL	0.8866
370	N91	0.8866
371	MFZ	0.8865
372	4R1	0.8865
373	LI7	0.8864
374	0OK	0.8864
375	TXW	0.8862
376	5MD	0.8862
377	S0F	0.8861
378	SLS	0.8861
379	LEL	0.8860
380	E9P	0.8860
381	URI	0.8859
382	C2Y	0.8859
383	LWS	0.8858
384	8MP	0.8857
385	4ZF	0.8857
386	ML1	0.8857
387	ZRK	0.8856
388	M5E	0.8856
389	A6P	0.8856
390	5GT	0.8853
391	NOS	0.8852
392	F1X	0.8848
393	VT3	0.8847
394	5WU	0.8847
395	2J5	0.8847
396	HPT	0.8847
397	TCC	0.8847
398	1V3	0.8843
399	3C4	0.8843
400	Q0K	0.8842
401	CR1	0.8841
402	0DF	0.8841
403	NCV	0.8838
404	NEO	0.8838
405	ISA	0.8837
406	TCL	0.8835
407	7ZC	0.8834
408	JP2	0.8834
409	BBY	0.8831
410	3Y7	0.8831
411	6QT	0.8830
412	JR2	0.8829
413	4AB	0.8829
414	27M	0.8828
415	CSN	0.8828
416	89J	0.8827
417	KCH	0.8827
418	S8D	0.8825
419	M4E	0.8825
420	92P	0.8824
421	GLP	0.8823
422	QR2	0.8823
423	GZ2	0.8822
424	CE2	0.8822
425	9FH	0.8821
426	3WJ	0.8820
427	HLP	0.8820
428	0SY	0.8819
429	OSB	0.8818
430	ZZ2	0.8818
431	M3W	0.8817
432	2P3	0.8817
433	HFA	0.8817
434	EGR	0.8815
435	JA3	0.8814
436	FMC	0.8814
437	AVO	0.8813
438	X48	0.8813
439	3XH	0.8811
440	S8G	0.8811
441	HXY	0.8810
442	CCV	0.8810
443	BP7	0.8809
444	QH3	0.8809
445	LP8	0.8809
446	PPY	0.8808
447	XFE	0.8807
448	P7Y	0.8807
449	0GA	0.8807
450	5I5	0.8806
451	7I2	0.8805
452	9KZ	0.8805
453	OIA	0.8804
454	PXP	0.8804
455	ZEZ	0.8804
456	6J5	0.8802
457	ZYV	0.8802
458	2D2	0.8801
459	3L1	0.8801
460	1AJ	0.8801
461	TYE	0.8800
462	X11	0.8800
463	S0G	0.8798
464	FMQ	0.8798
465	ERZ	0.8797
466	XYA	0.8797
467	0UL	0.8796
468	SHI	0.8795
469	0OO	0.8795
470	P93	0.8795
471	12R	0.8794
472	M6P	0.8793
473	EMU	0.8792
474	27K	0.8792
475	HJ8	0.8792
476	1BN	0.8790
477	G30	0.8789
478	AKD	0.8789
479	BVS	0.8788
480	4I8	0.8787
481	T03	0.8787
482	39Z	0.8786
483	STV	0.8785
484	STT	0.8785
485	R20	0.8784
486	A	0.8784
487	8HG	0.8784
488	2HC	0.8784
489	8D6	0.8783
490	AVX	0.8783
491	0OP	0.8782
492	11X	0.8782
493	2SX	0.8781
494	B23	0.8780
495	3VX	0.8779
496	MNP	0.8778
497	MPU	0.8776
498	3GV	0.8776
499	IPD	0.8774
500	OJD	0.8773
501	5E4	0.8772
502	EYV	0.8772
503	O2Y	0.8771
504	ETV	0.8771
505	7MX	0.8769
506	OCZ	0.8768
507	2QU	0.8765
508	AOY	0.8764
509	R9J	0.8761
510	55D	0.8761
511	CG8	0.8761
512	LVP	0.8761
513	FMB	0.8758
514	3VQ	0.8758
515	A4V	0.8757
516	B61	0.8756
517	BL0	0.8755
518	PH3	0.8755
519	AJD	0.8754
520	XDK	0.8753
521	4NR	0.8752
522	5CD	0.8749
523	5RP	0.8749
524	CLU	0.8749
525	0DN	0.8748
526	3TC	0.8748
527	IMH	0.8748
528	W23	0.8747
529	S2P	0.8745
530	D1G	0.8745
531	M9N	0.8745
532	F6P	0.8744
533	HPR	0.8744
534	9W5	0.8743
535	3LJ	0.8742
536	B86	0.8741
537	MUK	0.8740
538	S24	0.8738
539	MPP	0.8738
540	R4E	0.8738
541	52F	0.8736
542	A51	0.8736
543	4LW	0.8734
544	C9M	0.8731
545	H2W	0.8730
546	1VK	0.8729
547	CDJ	0.8725
548	M3E	0.8725
549	B2T	0.8725
550	SCT	0.8724
551	F06	0.8723
552	A9B	0.8723
553	A4D	0.8722
554	V1T	0.8722
555	5VU	0.8721
556	KPV	0.8720
557	6NJ	0.8718
558	MUX	0.8717
559	BZE	0.8716
560	28A	0.8715
561	4FP	0.8715
562	PRH	0.8715
563	BGP	0.8713
564	B40	0.8712
565	1SF	0.8710
566	IDZ	0.8710
567	JF2	0.8710
568	36M	0.8709
569	IQW	0.8708
570	2L1	0.8707
571	BHS	0.8707
572	JVD	0.8707
573	1XS	0.8707
574	ZYQ	0.8706
575	263	0.8705
576	5BT	0.8704
577	KED	0.8703
578	U7E	0.8703
579	TQU	0.8702
580	EAJ	0.8702
581	DDC	0.8701
582	9DI	0.8699
583	JXW	0.8698
584	RKV	0.8698
585	DCN	0.8698
586	XIF XYP	0.8697
587	8GK	0.8696
588	DER	0.8692
589	IBC	0.8690
590	BPY	0.8690
591	RAB	0.8689
592	VJJ	0.8687
593	KLS	0.8687
594	L12	0.8687
595	OA1	0.8687
596	JOV	0.8686
597	M6Z	0.8686
598	8DA	0.8684
599	K82	0.8683
600	4YZ	0.8682
601	LJ3	0.8679
602	GMP	0.8675
603	MCY	0.8675
604	RCV	0.8673
605	LDP	0.8673
606	1HP	0.8671
607	JRB	0.8671
608	ZZU	0.8670
609	FXH	0.8668
610	RSV	0.8668
611	SJK	0.8667
612	NAG	0.8664
613	GC2	0.8664
614	JXZ	0.8661
615	5F1	0.8661
616	OX2	0.8659
617	CH9	0.8659
618	HL4	0.8657
619	4CF	0.8656
620	WCU	0.8655
621	M6D	0.8653
622	8Y7	0.8651
623	4AV	0.8651
624	KLV	0.8650
625	NPL	0.8649
626	CK2	0.8647
627	LNR	0.8645
628	AP6	0.8645
629	ELH	0.8644
630	MBP	0.8642
631	PQZ	0.8642
632	B0K	0.8640
633	50C	0.8640
634	E9L	0.8640
635	XEV	0.8639
636	TL6	0.8638
637	YTX	0.8638
638	5WS	0.8638
639	9VZ	0.8637
640	7PJ	0.8633
641	EAT	0.8632
642	HS6	0.8632
643	1A7	0.8631
644	FM2	0.8630
645	B2E	0.8628
646	X04	0.8627
647	5M2	0.8627
648	FHI	0.8625
649	3DT	0.8624
650	6J3	0.8623
651	TLG	0.8622
652	4Z0	0.8622
653	AD3	0.8618
654	C6Z	0.8617
655	TIZ	0.8616
656	A7K	0.8616
657	0XR	0.8616
658	BQ5	0.8615
659	0QW	0.8615
660	HJ7	0.8613
661	S0W	0.8613
662	5AE	0.8611
663	QIF	0.8611
664	YO5	0.8609
665	8UY	0.8607
666	HHV	0.8607
667	56D	0.8605
668	26P	0.8604
669	7VF	0.8603
670	PUR	0.8603
671	5FD	0.8600
672	H7Y	0.8600
673	8CC	0.8599
674	M0N	0.8597
675	IMG	0.8593
676	PMM	0.8592
677	FC2	0.8591
678	57D	0.8587
679	1DA	0.8587
680	U4J	0.8584
681	F01	0.8583
682	GC3	0.8579
683	XYP XYP	0.8578
684	PZP	0.8578
685	6HX	0.8577
686	6XC	0.8576
687	TA6	0.8574
688	ID2	0.8573
689	J9Y	0.8570
690	JF8	0.8567
691	S7S	0.8567
692	PRZ	0.8564
693	5SJ	0.8564
694	L1T	0.8564
695	R2P	0.8562
696	WDW	0.8562
697	0OM	0.8558
698	Q8G	0.8556
699	M6H	0.8553
700	HBO	0.8553
701	NBB	0.8551
702	SSM	0.8543
703	7M2	0.8541
704	XYP XDN	0.8527

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

Pocket No.: 1; Query (leader) PDB : 1R6T; Ligand: TYM; 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: 1r6t.bio1) has 39 residues
No:	Leader PDB	Ligand	Sequence Similarity

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