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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3MBI	1.8 Å	EC: 2.7.6.1	CRYSTAL STRUCTURE OF THE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) FROM THERMOPLASMA VOLCANIUM IN COMPLEX WITH ADP-MG2+ AND RIP HOSPHATE	THERMOPLASMA VOLCANIUM	PHOSPHORIBOSYL TRANSFERASE ATP ANALOG BINDING RIBOSE 5-PHOBINDING TRANSFERASE
Ref.:	THE STRUCTURES OF THERMOPLASMA VOLCANIUM PHOSPHORIB PYROPHOSPHATE SYNTHETASE BOUND TO RIBOSE-5-PHOSPHAT ANALOGS. J.MOL.BIOL. V. 413 844 2011

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
ADP	A:288; C:286; D:288; B:288;	Valid; Valid; Valid; Valid;	none; none; none; none;	submit data	427.201	C10 H15 N5 O10 P2	c1nc(...
HSX	D:286;	Valid;	none;	submit data	230.11	C5 H11 O8 P	C([C@...
MG	A:287; C:289; D:287; B:287;	Part of Protein; Part of Protein; Part of Protein; Invalid;	none; none; none; none;	submit data	24.305	Mg	[Mg+2...
PO4	A:286; B:286; C:287;	Invalid; Invalid; Invalid;	none; none; none;	submit data	94.971	O4 P	[O-]P...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3MBI	1.8 Å	EC: 2.7.6.1	CRYSTAL STRUCTURE OF THE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) FROM THERMOPLASMA VOLCANIUM IN COMPLEX WITH ADP-MG2+ AND RIP HOSPHATE	THERMOPLASMA VOLCANIUM	PHOSPHORIBOSYL TRANSFERASE ATP ANALOG BINDING RIBOSE 5-PHOBINDING TRANSFERASE
Ref.:	THE STRUCTURES OF THERMOPLASMA VOLCANIUM PHOSPHORIB PYROPHOSPHATE SYNTHETASE BOUND TO RIBOSE-5-PHOSPHAT ANALOGS. J.MOL.BIOL. V. 413 844 2011

Members (4)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3MBI	-	HSX	C5 H11 O8 P	C([C@@H]1[....
2	3NAG	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
3	3LPN	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
4	3LRT	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

70% Homology Family (4)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3MBI	-	HSX	C5 H11 O8 P	C([C@@H]1[....
2	3NAG	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
3	3LPN	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
4	3LRT	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

50% Homology Family (4)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	3MBI	-	HSX	C5 H11 O8 P	C([C@@H]1[....
2	3NAG	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
3	3LPN	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
4	3LRT	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: ADP; Similar ligands found: 520

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	ADP	1	1
2	ATP	0.9	1
3	HEJ	0.9	1
4	A2D	0.895522	0.971831
5	AQP	0.887324	1
6	5FA	0.887324	1
7	B4P	0.884058	0.971831
8	AP5	0.884058	0.971831
9	BA3	0.869565	0.971831
10	AN2	0.84507	0.985915
11	AT4	0.84507	0.958904
12	M33	0.833333	0.958333
13	ACQ	0.826667	0.972222
14	A	0.823529	0.971429
15	AMP	0.823529	0.971429
16	ACP	0.821918	0.972222
17	6YZ	0.818182	0.972222
18	APR	0.810811	0.971831
19	AR6	0.810811	0.971831
20	ANP	0.802632	0.972222
21	AD9	0.8	0.972222
22	AGS	0.8	0.945946
23	AMP MG	0.785714	0.929577
24	CA0	0.783784	0.945205
25	ADX	0.783784	0.873418
26	TAT	0.779221	0.958904
27	T99	0.779221	0.958904
28	50T	0.773333	0.958333
29	KG4	0.773333	0.945205
30	45A	0.763889	0.917808
31	ABM	0.763889	0.917808
32	APC	0.763158	0.958904
33	PRX	0.763158	0.893333
34	HQG	0.7625	0.985915
35	ATF	0.759494	0.958904
36	A22	0.753086	0.985915
37	ADP BEF	0.746667	0.943662
38	ADP MG	0.746667	0.943662
39	A12	0.743243	0.958904
40	AP2	0.743243	0.958904
41	SRA	0.736111	0.918919
42	ADQ	0.73494	0.945205
43	25L	0.732558	0.985915
44	5AL	0.725	0.931507
45	8LE	0.725	0.894737
46	2A5	0.717949	0.918919
47	A1R	0.714286	0.907895
48	AU1	0.714286	0.972222
49	A3R	0.714286	0.907895
50	APC MG	0.708861	0.917808
51	ATR	0.708861	0.971429
52	PAP	0.708861	0.985714
53	ATP MG	0.708861	0.943662
54	ADP PO3	0.708861	0.943662
55	8LH	0.707317	0.906667
56	SRP	0.707317	0.906667
57	7D3	0.706667	0.905405
58	JNT	0.705882	0.945205
59	OZV	0.702381	0.971831
60	25A	0.702381	0.971831
61	BEF ADP	0.7	0.917808
62	OAD	0.697674	0.945205
63	9X8	0.697674	0.92
64	8LQ	0.690476	0.906667
65	QA7	0.690476	0.894737
66	RBY	0.6875	0.932432
67	ADV	0.6875	0.932432
68	00A	0.686047	0.883117
69	5SV	0.682353	0.848101
70	OOB	0.682353	0.931507
71	8QN	0.682353	0.931507
72	3OD	0.681818	0.945205
73	BIS	0.681818	0.933333
74	ANP MG	0.674699	0.931507
75	VO4 ADP	0.674699	0.945205
76	ALF ADP	0.674699	0.87013
77	AMO	0.674419	0.932432
78	4AD	0.674419	0.92
79	PAJ	0.674419	0.884615
80	GAP	0.670732	0.893333
81	MAP	0.670588	0.945946
82	DLL	0.666667	0.931507
83	AHX	0.666667	0.896104
84	PTJ	0.662921	0.896104
85	V2G	0.662651	0.896104
86	KMQ	0.659341	0.932432
87	3UK	0.659091	0.918919
88	SON	0.658228	0.932432
89	LMS	0.653333	0.82716
90	B5V	0.651685	0.906667
91	WAQ	0.651685	0.883117
92	LAD	0.651685	0.860759
93	PR8	0.651685	0.85
94	7D4	0.65	0.905405
95	ITT	0.65	0.943662
96	G5P	0.648936	0.921053
97	RAB	0.647059	0.84507
98	XYA	0.647059	0.84507
99	ADN	0.647059	0.84507
100	ME8	0.644444	0.839506
101	TXA	0.644444	0.932432
102	NB8	0.644444	0.896104
103	FYA	0.644444	0.905405
104	1ZZ	0.644444	0.839506
105	6AD	0.642857	0.909091
106	ADP BMA	0.640449	0.918919
107	G3A	0.638298	0.921053
108	DAL AMP	0.632184	0.905405
109	AFH	0.631579	0.884615
110	9SN	0.630435	0.871795
111	9ZA	0.625	0.907895
112	DQV	0.625	0.958333
113	GTA	0.625	0.886076
114	9ZD	0.625	0.907895
115	FA5	0.623656	0.906667
116	B5M	0.623656	0.894737
117	B5Y	0.623656	0.894737
118	UP5	0.622449	0.92
119	CUU	0.621951	0.971831
120	NO7	0.62069	0.932432
121	JSQ	0.619048	0.945946
122	HFD	0.619048	0.945946
123	XAH	0.617021	0.839506
124	AV2	0.616279	0.917808
125	AOC	0.615385	0.821918
126	48N	0.612245	0.896104
127	4UV	0.610526	0.894737
128	NAX	0.606061	0.873418
129	DND	0.606061	0.932432
130	TXD	0.606061	0.907895
131	NAI	0.606061	0.907895
132	6V0	0.606061	0.896104
133	5N5	0.605634	0.819444
134	5AS	0.604938	0.77907
135	A4P	0.60396	0.843373
136	DAT	0.60241	0.905405
137	A2R	0.602273	0.985915
138	OMR	0.6	0.851852
139	TXE	0.6	0.907895
140	GA7	0.597938	0.906667
141	4UU	0.597938	0.894737
142	5CD	0.597222	0.805556
143	A4D	0.597222	0.819444
144	L3W	0.594059	0.932432
145	AP0	0.594059	0.896104
146	4TC	0.594059	0.896104
147	A3P	0.592593	0.971429
148	T5A	0.592233	0.841463
149	139	0.592233	0.873418
150	7D5	0.592105	0.878378
151	ATP A A A	0.589474	0.930556
152	ATP A	0.589474	0.930556
153	LAQ	0.585859	0.839506
154	MYR AMP	0.585106	0.817073
155	H1Q	0.583333	0.90411
156	F2R	0.580952	0.864198
157	YLP	0.58	0.819277
158	UPA	0.578431	0.907895
159	7DD	0.578313	0.985714
160	3AM	0.576923	0.929577
161	ADJ	0.576923	0.851852
162	NAD	0.575472	0.931507
163	COD	0.575472	0.811765
164	3AT	0.574713	0.971831
165	JB6	0.574468	0.883117
166	4UW	0.574257	0.860759
167	EP4	0.573333	0.753247
168	A2P	0.573171	0.957143
169	CNA	0.571429	0.932432
170	TYM	0.568627	0.906667
171	PPS	0.568182	0.873418
172	DTA	0.565789	0.786667
173	M2T	0.565789	0.734177
174	AR6 AR6	0.565657	0.917808
175	80F	0.564815	0.841463
176	A3D	0.564815	0.918919
177	3DH	0.564103	0.773333
178	G5A	0.563218	0.77907
179	YLB	0.563107	0.819277
180	YLC	0.563107	0.839506
181	AMP DBH	0.561224	0.893333
182	MTA	0.558442	0.773333
183	DTP	0.556818	0.905405
184	AHZ	0.554455	0.817073
185	NA7	0.553191	0.958904
186	IOT	0.552381	0.831325
187	ARG AMP	0.55	0.829268
188	ZAS	0.55	0.766234
189	7MD	0.55	0.8625
190	IMO	0.548781	0.929577
191	YLA	0.54717	0.819277
192	NAE	0.544643	0.894737
193	TAD	0.544554	0.884615
194	A5A	0.544444	0.807229
195	2AM	0.544304	0.943662
196	TSB	0.543478	0.819277
197	6RE	0.54321	0.759494
198	6MZ	0.542169	0.930556
199	AYB	0.542056	0.809524
200	NAQ	0.539823	0.871795
201	V3L	0.539326	0.971831
202	AF3 ADP 3PG	0.538462	0.8375
203	ALF ADP 3PG	0.538462	0.8375
204	SSA	0.538462	0.8
205	ZID	0.535088	0.918919
206	LPA AMP	0.533981	0.817073
207	NAD IBO	0.533333	0.917808
208	NAD TDB	0.533333	0.917808
209	VMS	0.532609	0.788235
210	54H	0.532609	0.788235
211	52H	0.532609	0.77907
212	BTX	0.53211	0.841463
213	A3N	0.53012	0.786667
214	J7C	0.53012	0.769231
215	5X8	0.528736	0.763158
216	BT5	0.527273	0.831325
217	53H	0.526882	0.77907
218	8X1	0.526882	0.752809
219	5CA	0.526882	0.8
220	ARU	0.526316	0.860759
221	EAD	0.525862	0.873418
222	RGT	0.525253	0.958904
223	OVE	0.52439	0.905405
224	S4M	0.52381	0.666667
225	7DT	0.522727	0.985714
226	DDS	0.522222	0.878378
227	GDP	0.522222	0.92
228	38V	0.521739	0.886076
229	AVV	0.521277	0.896104
230	NDE	0.521008	0.932432
231	LEU LMS	0.520833	0.730337
232	7MC	0.518868	0.841463
233	DSH	0.518072	0.725
234	MAO	0.517647	0.759036
235	LSS	0.515789	0.761364
236	DSZ	0.515789	0.8
237	NSS	0.515789	0.8
238	P5A	0.515464	0.744444
239	DZD	0.513514	0.884615
240	NWW	0.513158	0.760563
241	O02	0.511111	0.921053
242	NVA LMS	0.510417	0.752809
243	9K8	0.510204	0.714286
244	12D	0.509615	0.785714
245	YLY	0.508772	0.809524
246	M24	0.508772	0.85
247	P1H	0.508333	0.851852
248	5AD	0.506849	0.746479
249	GJV	0.505882	0.75
250	AMP NAD	0.504505	0.905405
251	4TA	0.504505	0.807229
252	NAJ PZO	0.504425	0.848101
253	D4F	0.504348	0.839506
254	KAA	0.5	0.752809
255	GSU	0.5	0.77907
256	71V	0.5	0.907895
257	7D7	0.5	0.743243
258	A3G	0.5	0.8
259	128	0.5	0.776471
260	NDC	0.5	0.871795
261	N0B	0.495726	0.819277
262	NJP	0.495495	0.945946
263	ODP	0.495495	0.909091
264	K3K	0.49505	0.802632
265	2SA	0.494624	0.932432
266	6C6	0.494505	0.881579
267	SFG	0.494382	0.75
268	0WD	0.491071	0.921053
269	LQJ	0.490196	0.917808
270	B1U	0.490196	0.736264
271	YSA	0.490196	0.77907
272	PO4 PO4 A A A A PO4	0.489796	0.902778
273	SAM	0.48913	0.690476
274	6IA	0.48913	0.8375
275	A7D	0.488636	0.776316
276	6FA	0.488	0.841463
277	FB0	0.487805	0.804598
278	NAJ PYZ	0.487179	0.807229
279	J4G	0.484848	0.92
280	A5D	0.483516	0.786667
281	IDP	0.483516	0.918919
282	SA8	0.483516	0.707317
283	PGS	0.483146	0.883117
284	MHZ	0.483146	0.697674
285	DA	0.482353	0.878378
286	NEC	0.482353	0.746667
287	D5M	0.482353	0.878378
288	NIA	0.481928	0.822785
289	Y3J	0.480519	0.726027
290	8PZ	0.480392	0.8
291	FAD	0.480315	0.851852
292	FAS	0.480315	0.851852
293	FDA	0.48	0.833333
294	N6P	0.479592	0.915493
295	GGZ	0.479167	0.825
296	SAI	0.478261	0.734177
297	SAH	0.478261	0.74359
298	NPW	0.477477	0.886076
299	NDP	0.477477	0.921053
300	AAM	0.476744	0.971429
301	AMZ	0.47561	0.916667
302	C2R	0.47561	0.90411
303	SMM	0.473684	0.686047
304	GTP	0.473684	0.92
305	NZQ	0.473214	0.909091
306	TXP	0.473214	0.921053
307	A3S	0.47191	0.810811
308	K3E	0.471154	0.792208
309	NWQ	0.46988	0.739726
310	SFD	0.46875	0.734043
311	AIR	0.468354	0.901408
312	AAT	0.468085	0.707317
313	EEM	0.468085	0.690476
314	7C5	0.466667	0.818182
315	Z5A	0.466667	0.77907
316	J7V	0.466667	0.833333
317	62F	0.465649	0.8625
318	N5O	0.465116	0.763158
319	HDV	0.463158	0.893333
320	KOY	0.462963	0.802632
321	FAY	0.462121	0.8625
322	DCA	0.461538	0.823529
323	A3T	0.461538	0.821918
324	ETB	0.461538	0.833333
325	A6D	0.46	0.722892
326	6K6	0.459184	0.930556
327	QXP	0.459184	0.785714
328	GEK	0.459184	0.7375
329	RFL	0.458647	0.821429
330	S7M	0.458333	0.690476
331	V47	0.458333	0.783784
332	NAP	0.458333	0.945205
333	4YB	0.457944	0.761364
334	CZF	0.457447	0.931507
335	TAP	0.454545	0.907895
336	N5A	0.454545	0.736842
337	FNK	0.454545	0.804598
338	WSA	0.454545	0.788235
339	COA	0.453782	0.823529
340	0T1	0.453782	0.823529
341	101	0.453488	0.878378
342	QBQ	0.452632	0.906667
343	DZ4	0.452632	0.881579
344	XNP	0.452174	0.873418
345	K2R	0.45098	0.88
346	NA0	0.45082	0.932432
347	7RP	0.448276	0.928571
348	K2W	0.447619	0.740741
349	GP3	0.446809	0.921053
350	TM1	0.446602	0.77381
351	APU	0.446429	0.894737
352	KL2	0.445783	0.837838
353	QXG	0.445545	0.776471
354	PUA	0.445378	0.884615
355	V1N	0.443396	0.917808
356	7RA	0.443182	0.957747
357	CAO	0.442623	0.795455
358	30N	0.442623	0.752688
359	COS	0.442623	0.804598
360	AMX	0.442623	0.833333
361	K38	0.442308	0.779221
362	QQY	0.44186	0.815789
363	ACK	0.44186	0.861111
364	649	0.441441	0.744444
365	R2V	0.441176	0.785714
366	0UM	0.44	0.698795
367	NHD	0.439655	0.905405
368	SCO	0.439024	0.823529
369	CMX	0.439024	0.823529
370	GCP	0.438776	0.896104
371	8BR	0.438202	0.906667
372	GNH	0.4375	0.907895
373	3AD	0.4375	0.805556
374	8Q2	0.4375	0.772727
375	O05	0.436893	0.843373
376	NVA 2AD	0.43617	0.759494
377	62X	0.435644	0.666667
378	K2H	0.435644	0.75641
379	ACO	0.435484	0.795455
380	FAM	0.435484	0.804598
381	FCX	0.435484	0.795455
382	9JJ	0.434783	0.8625
383	KY2	0.434343	0.731707
384	9GM	0.434343	0.896104
385	GNP	0.434343	0.896104
386	K3H	0.433962	0.75
387	NMX	0.433071	0.76087
388	MGP	0.43299	0.884615
389	26A	0.432099	0.763158
390	HAX	0.432	0.804598
391	K15	0.431373	0.682353
392	9BG	0.431034	0.896104
393	DG1	0.430894	0.921053
394	1DG	0.430894	0.921053
395	QQX	0.430233	0.805195
396	2VA	0.430108	0.8
397	S8M	0.43	0.759494
398	2MC	0.429688	0.769231
399	PLP AAD	0.428571	0.733333
400	6G0	0.428571	0.884615
401	3KK	0.428571	0.804598
402	P5F	0.428571	0.823529
403	NAD BBN	0.428571	0.841463
404	FYN	0.428571	0.823529
405	KGA	0.427481	0.744681
406	7L1	0.427419	0.795455
407	K2K	0.427184	0.7375
408	NX8	0.427083	0.716049
409	RMB	0.426966	0.873239
410	AS	0.426966	0.833333
411	FAI	0.426966	0.916667
412	KGJ	0.426357	0.752688
413	KYB	0.425743	0.731707
414	1RB	0.425287	0.885714
415	KGP	0.425197	0.729167
416	OXK	0.425197	0.804598
417	COK	0.425197	0.804598
418	SOP	0.425197	0.804598
419	MCD	0.425197	0.804598
420	CA6	0.425197	0.729167
421	YZS	0.425197	0.729167
422	G1R	0.424242	0.907895
423	CC5	0.423077	0.816901
424	SXZ	0.423077	0.710843
425	F2N	0.422535	0.813953
426	NAD CJ3	0.422222	0.811765
427	EO7	0.422222	0.788235
428	ANZ	0.422018	0.8
429	CMC	0.421875	0.804598
430	CO6	0.421875	0.804598
431	1VU	0.421875	0.795455
432	ZDA	0.421053	0.864865
433	GKE	0.420561	0.884615
434	GDC	0.420561	0.884615
435	GDD	0.420561	0.884615
436	NFD	0.420168	0.883117
437	GSP	0.42	0.873418
438	D3Y	0.42	0.789474
439	MC4	0.419847	0.76087
440	3D1	0.419753	0.773333
441	3L1	0.419753	0.773333
442	FA9	0.41958	0.864198
443	G	0.419355	0.906667
444	5GP	0.419355	0.906667
445	KB1	0.419048	0.698795
446	KY5	0.419048	0.725
447	SCD	0.418605	0.823529
448	CAJ	0.418605	0.804598
449	2BA	0.417582	0.915493
450	CMP	0.417582	0.901408
451	SO8	0.416667	0.789474
452	VRT	0.416667	0.769231
453	KFV	0.416667	0.736842
454	N01	0.416667	0.905405
455	1HE	0.415385	0.786517
456	3HC	0.415385	0.813953
457	BCO	0.415385	0.804598
458	MLC	0.415385	0.804598
459	IVC	0.415385	0.813953
460	A1S	0.415385	0.804598
461	NMN AMP PO4	0.415254	0.87013
462	2FA	0.414634	0.813333
463	MGO	0.414141	0.860759
464	FAJ	0.413793	0.831325
465	3NZ	0.413462	0.782051
466	KY8	0.413462	0.728395
467	Q34	0.412281	0.674419
468	LCV	0.412214	0.721649
469	COO	0.412214	0.804598
470	MCA	0.412214	0.795455
471	CAA	0.412214	0.813953
472	SO5	0.412214	0.721649
473	YE1	0.412214	0.813953
474	GAV	0.411765	0.884615
475	PRT	0.411215	0.931507
476	JLN	0.411111	0.890411
477	P2P	0.411111	0.902778
478	OZP	0.410714	0.728395
479	NWZ	0.410526	0.703704
480	ZZB	0.410256	0.77381
481	CNV FAD	0.410072	0.793103
482	YXR	0.409091	0.729167
483	2CP	0.409091	0.795455
484	YXS	0.409091	0.729167
485	SCA	0.409091	0.804598
486	SP1	0.409091	0.842105
487	RP1	0.409091	0.842105
488	103	0.409091	0.837838
489	PAX	0.408	0.829268
490	KYE	0.407407	0.714286
491	FAD NBT	0.407143	0.75
492	BYC	0.406015	0.804598
493	1GZ	0.406015	0.795455
494	IRC	0.406015	0.813953
495	CA8	0.406015	0.729167
496	3CP	0.406015	0.804598
497	COW	0.406015	0.795455
498	HGG	0.406015	0.804598
499	COF	0.406015	0.786517
500	2KQ	0.406015	0.786517
501	G2P	0.405941	0.884615
502	KXW	0.405405	0.707317
503	SLU	0.404959	0.770115
504	RBZ	0.404494	0.849315
505	1CZ	0.404412	0.795455
506	Q2P	0.403361	0.674419
507	COA FLC	0.403226	0.790698
508	FAQ	0.402985	0.804598
509	BCA	0.402985	0.795455
510	4CA	0.402985	0.795455
511	MTP	0.402439	0.730769
512	8OD	0.402062	0.945205
513	HZ2	0.401786	0.731707
514	CO7	0.401515	0.804598
515	ENQ	0.4	0.916667
516	GMV	0.4	0.896104
517	HXC	0.4	0.786517
518	G2R	0.4	0.884615
519	GRA	0.4	0.804598
520	HF7	0.4	0.893333

Ligand no: 2; Ligand: HSX; Similar ligands found: 40

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	RP5	1	1
2	ABF	1	1
3	HSX	1	1
4	BGP	0.8	0.902439
5	M6P	0.8	0.902439
6	G6P	0.8	0.902439
7	BG6	0.8	0.902439
8	M6D	0.8	0.902439
9	A6P	0.8	0.902439
10	AHG	0.676471	0.880952
11	4R1	0.634146	0.755102
12	GLP	0.634146	0.755102
13	RF5	0.615385	0.883721
14	50A	0.615385	0.883721
15	GRF	0.589744	0.76
16	NNG	0.565217	0.685185
17	4QY	0.553191	0.685185
18	16G	0.553191	0.685185
19	BMX	0.553191	0.685185
20	FDQ	0.547619	0.860465
21	RI2	0.534884	0.95
22	PRP	0.5	0.975
23	G16	0.5	0.860465
24	D6G	0.5	0.860465
25	N	0.47619	0.860465
26	PPC	0.469388	0.906977
27	RIB	0.441176	0.675
28	FUB	0.441176	0.675
29	AHR	0.441176	0.675
30	BDR	0.441176	0.675
31	Z6J	0.441176	0.675
32	32O	0.441176	0.675
33	IRN	0.425926	0.606557
34	QIF	0.425532	0.860465
35	FGR	0.410714	0.655172
36	TA6	0.404255	0.906977
37	AHR AHR	0.404255	0.690476
38	F6P	0.404255	0.906977
39	BNX	0.4	0.880952
40	ALX	0.4	0.880952

Similar Ligands (3D)

Ligand no: 1; Ligand: ADP; Similar ligands found: 65

No:	Ligand	Similarity coefficient
1	BMQ	1.0000
2	ADP ALF	0.9881
3	ADP AF3	0.9881
4	ADP VO4	0.9881
5	DGI	0.9763
6	GDP MG	0.9684
7	GDP BEF	0.9644
8	ALF GDP	0.9644
9	GDP ALF	0.9644
10	BEF GDP	0.9610
11	GDP AF3	0.9610
12	NYZ	0.9560
13	M7G	0.9527
14	GP2	0.9485
15	UDP	0.9410
16	G8D	0.9364
17	TYD	0.9340
18	CDP	0.9333
19	GCQ	0.9290
20	8GD	0.9252
21	CDP MG	0.9246
22	DUD	0.9233
23	YYY	0.9230
24	D4D	0.9127
25	KB7	0.9099
26	DUN	0.9081
27	TBD	0.9046
28	IMP	0.9020
29	IRP	0.8992
30	MGT	0.8986
31	FMP	0.8980
32	UDP UDP	0.8979
33	G3D	0.8938
34	UC5	0.8921
35	ALF 5GP	0.8902
36	7XL	0.8868
37	GTP MG	0.8843
38	XMP	0.8838
39	IMU	0.8829
40	MOD	0.8822
41	C8M	0.8795
42	A8M	0.8784
43	8OP	0.8777
44	DG	0.8750
45	DGP	0.8750
46	MSP	0.8735
47	G7M	0.8734
48	6MA	0.8734
49	6CG	0.8732
50	PFU	0.8701
51	FZT	0.8697
52	DBG	0.8693
53	DGT	0.8685
54	FZQ	0.8683
55	MZP	0.8680
56	93A	0.8679
57	S3N	0.8673
58	0RC	0.8661
59	TKW	0.8651
60	5FU	0.8637
61	FNU	0.8616
62	FZK	0.8607
63	UTP	0.8603
64	UP6	0.8572
65	NMN	0.8537

Ligand no: 2; Ligand: HSX; Similar ligands found: 550

No:	Ligand	Similarity coefficient
1	1X4	0.9370
2	TU0	0.9355
3	RP3	0.9340
4	8U3	0.9295
5	P80	0.9273
6	PLP	0.9261
7	MES	0.9233
8	5RP	0.9231
9	IOS	0.9222
10	STT	0.9216
11	EVF	0.9214
12	P7Y	0.9202
13	A5P	0.9200
14	DEZ	0.9191
15	DER	0.9190
16	6Q3	0.9179
17	2HC	0.9172
18	SG3	0.9171
19	61M	0.9161
20	PMP	0.9158
21	R5P	0.9156
22	R52	0.9156
23	J0Z	0.9142
24	E4P	0.9134
25	DHY	0.9134
26	3LJ	0.9133
27	FK8	0.9133
28	AX3	0.9125
29	X1P	0.9123
30	HJH	0.9121
31	F1X	0.9118
32	TCA	0.9114
33	4BY	0.9105
34	D5X	0.9099
35	DI6	0.9096
36	TX4	0.9095
37	4TP	0.9093
38	LX1	0.9090
39	XIZ	0.9089
40	PLR	0.9087
41	5OO	0.9083
42	PO6	0.9082
43	6DP	0.9076
44	0W1	0.9075
45	LXP	0.9075
46	1BN	0.9074
47	GZ2	0.9073
48	ZEC	0.9072
49	TB8	0.9060
50	I2E	0.9059
51	LSQ	0.9057
52	F06	0.9057
53	B41	0.9056
54	EYV	0.9053
55	TZM	0.9050
56	HC4	0.9050
57	DAH	0.9049
58	ESX	0.9049
59	QUS	0.9043
60	L22	0.9042
61	P81	0.9041
62	ZON	0.9038
63	DHC	0.9036
64	M6H	0.9035
65	MP5	0.9033
66	R20	0.9028
67	SEP	0.9025
68	JOV	0.9025
69	2JJ	0.9022
70	LVD	0.9019
71	1F1	0.9019
72	DXP	0.9018
73	MSL	0.9017
74	HMS	0.9012
75	KYN	0.9012
76	XCG	0.9010
77	0QW	0.9005
78	BRH	0.9005
79	9BF	0.9004
80	SYE	0.9002
81	O45	0.8999
82	363	0.8999
83	3PG	0.8998
84	SG2	0.8997
85	KTW	0.8995
86	M1Z	0.8989
87	5WN	0.8987
88	PHE	0.8987
89	GWM	0.8987
90	F98	0.8986
91	TZP	0.8983
92	EXD	0.8981
93	IAC	0.8978
94	AAN	0.8973
95	MAJ	0.8972
96	2O6	0.8971
97	F1P	0.8970
98	PC	0.8969
99	ESI	0.8968
100	XQI	0.8967
101	1PS	0.8966
102	MMS	0.8965
103	UN1	0.8963
104	ESP	0.8961
105	HCI	0.8956
106	M1P	0.8955
107	BZE	0.8955
108	4NP	0.8954
109	SSC	0.8952
110	SR1	0.8952
111	RES	0.8950
112	Q04	0.8949
113	MF3	0.8948
114	IOP	0.8946
115	5GT	0.8946
116	TMG	0.8946
117	CXP	0.8945
118	PBA	0.8945
119	DDU	0.8944
120	N2M	0.8944
121	XDK	0.8943
122	GO2	0.8941
123	APS	0.8939
124	R2P	0.8937
125	GL1	0.8937
126	B85	0.8936
127	TPO	0.8934
128	505	0.8932
129	4LW	0.8932
130	GO8	0.8930
131	QH3	0.8930
132	CFA	0.8929
133	9YT	0.8928
134	4XF	0.8928
135	L5V	0.8926
136	PXP	0.8926
137	3IL	0.8926
138	14W	0.8926
139	6J5	0.8924
140	TLM	0.8924
141	6FZ	0.8923
142	1A7	0.8922
143	6HO	0.8921
144	4NS	0.8918
145	FWD	0.8917
146	BZ2	0.8916
147	N9J	0.8915
148	XRS	0.8914
149	1L5	0.8913
150	GNW	0.8912
151	JFM	0.8911
152	3ZB	0.8910
153	S0E	0.8908
154	2FX	0.8908
155	ALE	0.8907
156	TRP	0.8903
157	26E	0.8902
158	M3Q	0.8902
159	33S	0.8901
160	HPS	0.8901
161	PPY	0.8899
162	3VX	0.8899
163	HPP	0.8898
164	Q9Z	0.8896
165	FER	0.8896
166	ARP	0.8895
167	NFA	0.8894
168	HA5	0.8894
169	DX5	0.8893
170	TSR	0.8893
171	3C4	0.8893
172	EN1	0.8891
173	MXD	0.8890
174	P9E	0.8890
175	S7A	0.8888
176	HL4	0.8888
177	ATX	0.8888
178	HFA	0.8885
179	S2P	0.8884
180	MD6	0.8884
181	YOF	0.8883
182	G1P	0.8882
183	0HN	0.8882
184	LTN	0.8880
185	YZM	0.8878
186	EUE	0.8877
187	SHI	0.8876
188	GPM	0.8873
189	A5E	0.8872
190	4LV	0.8871
191	A29	0.8870
192	SKF	0.8869
193	15N	0.8869
194	PMV	0.8868
195	HPV	0.8862
196	HF2	0.8862
197	M5H	0.8861
198	HQJ	0.8859
199	M3E	0.8857
200	S8V	0.8855
201	11C	0.8853
202	CLU	0.8852
203	9B3	0.8851
204	SYC	0.8851
205	4HP	0.8850
206	3HP	0.8850
207	ENO	0.8850
208	EXR	0.8850
209	R10	0.8850
210	PLP PMP	0.8849
211	PZP	0.8849
212	9F8	0.8849
213	GJK	0.8849
214	5WZ	0.8847
215	X04	0.8847
216	YTX	0.8847
217	AKG	0.8846
218	CWD	0.8843
219	428	0.8843
220	36E	0.8842
221	X48	0.8842
222	OSE	0.8841
223	XXG	0.8840
224	4MB	0.8840
225	OOG	0.8839
226	AMQ	0.8838
227	2LT	0.8837
228	ICB	0.8836
229	C82	0.8831
230	JDN	0.8828
231	FF2	0.8828
232	PMF	0.8828
233	LDP	0.8827
234	AOT	0.8826
235	TOH	0.8825
236	NFM	0.8825
237	BL0	0.8824
238	BPY	0.8824
239	6NT	0.8823
240	QMP	0.8823
241	7ZL	0.8823
242	QMS	0.8823
243	AMR	0.8822
244	DLT	0.8821
245	5SP	0.8820
246	KTA	0.8820
247	ASC	0.8820
248	TYR	0.8819
249	6HP	0.8819
250	GCO	0.8818
251	LAO	0.8817
252	2ZM	0.8817
253	Y3L	0.8817
254	9GB	0.8816
255	263	0.8813
256	HWD	0.8813
257	N7I	0.8813
258	6C5	0.8812
259	L21	0.8811
260	CXH	0.8810
261	BNF	0.8808
262	IPD	0.8808
263	PBN	0.8807
264	LIP	0.8807
265	DPN	0.8807
266	NAG	0.8804
267	N91	0.8803
268	JAW	0.8801
269	OGA	0.8797
270	JF1	0.8796
271	UNJ	0.8796
272	ARG	0.8795
273	HXY	0.8795
274	JVA	0.8795
275	57O	0.8795
276	B40	0.8794
277	9W5	0.8793
278	BWD	0.8792
279	1FD	0.8792
280	HHH	0.8791
281	6TZ	0.8789
282	FOM	0.8785
283	Z70	0.8784
284	JV4	0.8784
285	8NX	0.8783
286	8NB	0.8782
287	5OY	0.8781
288	535	0.8781
289	54F	0.8780
290	AEG	0.8780
291	CIY	0.8779
292	URO	0.8779
293	TYE	0.8778
294	0JD	0.8777
295	TYL	0.8777
296	2VQ	0.8777
297	IVL	0.8777
298	KG1	0.8776
299	TL6	0.8775
300	Q03	0.8774
301	HPT	0.8773
302	CTE	0.8772
303	HG3	0.8772
304	ZIQ	0.8771
305	RCV	0.8769
306	TOM	0.8768
307	MSR	0.8768
308	BP7	0.8767
309	S0W	0.8766
310	7Q1	0.8766
311	C0H	0.8764
312	R1P	0.8763
313	657	0.8763
314	6L6	0.8762
315	3NY	0.8760
316	SLY	0.8760
317	CS2	0.8760
318	3A9	0.8759
319	JRB	0.8757
320	K7M	0.8756
321	XRX	0.8755
322	88L	0.8755
323	6NI	0.8753
324	C53	0.8752
325	IL5	0.8752
326	EQA	0.8751
327	9ZE	0.8751
328	2K8	0.8751
329	1XA	0.8750
330	HX4	0.8750
331	ZZU	0.8749
332	DZA	0.8748
333	IYR	0.8747
334	JZA	0.8747
335	EYJ	0.8746
336	DTR	0.8745
337	92P	0.8743
338	MPV	0.8743
339	NPA	0.8743
340	4BL	0.8742
341	DTY	0.8741
342	6J9	0.8740
343	ABI	0.8740
344	4XV	0.8740
345	H4E	0.8739
346	BNL	0.8738
347	EGR	0.8737
348	NVU	0.8737
349	IFG	0.8735
350	O2Y	0.8734
351	56D	0.8734
352	2BX	0.8733
353	DHM	0.8732
354	268	0.8732
355	LJ3	0.8731
356	H35	0.8730
357	LNR	0.8729
358	CCV	0.8728
359	PFF	0.8728
360	0HO	0.8728
361	HIC	0.8727
362	API	0.8727
363	FPL	0.8727
364	N1E	0.8725
365	RKV	0.8725
366	NYL	0.8725
367	M3P	0.8724
368	PRA	0.8723
369	NBG	0.8723
370	EV0	0.8722
371	I4D	0.8722
372	CK2	0.8720
373	GFP	0.8719
374	9PL	0.8715
375	CH8	0.8715
376	NLQ	0.8715
377	1SV	0.8714
378	B4O	0.8712
379	68A	0.8711
380	8WT	0.8710
381	GVG	0.8710
382	AHC	0.8709
383	GLR	0.8708
384	YPN	0.8707
385	AHN	0.8705
386	2KU	0.8705
387	NPL	0.8703
388	MUK	0.8702
389	0FR	0.8701
390	4Z9	0.8701
391	152	0.8700
392	HJ8	0.8699
393	ZEA	0.8699
394	XFE	0.8699
395	YIE	0.8698
396	MJ5	0.8698
397	78U	0.8698
398	UA5	0.8697
399	3YP	0.8696
400	LGT	0.8696
401	AEH	0.8696
402	S3C	0.8695
403	S2G	0.8695
404	4SX	0.8694
405	NNH	0.8693
406	P58	0.8693
407	78Y	0.8691
408	6ZX	0.8691
409	TT4	0.8691
410	PPT	0.8690
411	GLU	0.8689
412	JB8	0.8687
413	GGB	0.8686
414	ONR	0.8685
415	CH9	0.8685
416	IWD	0.8683
417	BY5	0.8683
418	2IT	0.8681
419	4V2	0.8680
420	SB7	0.8678
421	DJN	0.8677
422	H7Y	0.8676
423	8XL	0.8675
424	LT1	0.8675
425	SLS	0.8674
426	DXG	0.8672
427	M45	0.8672
428	PRO GLY	0.8671
429	DIR	0.8669
430	SQV	0.8668
431	FZM	0.8666
432	JND	0.8666
433	E1T	0.8665
434	E35	0.8664
435	BQ2	0.8662
436	F4E	0.8662
437	PW1	0.8660
438	PJW	0.8660
439	GLN	0.8659
440	3QO	0.8659
441	R9G	0.8658
442	DUR	0.8658
443	3AL	0.8658
444	ST3	0.8656
445	0FK	0.8656
446	1VK	0.8654
447	PH3	0.8653
448	SQ4	0.8653
449	PRZ	0.8653
450	PNP	0.8653
451	4OG	0.8652
452	RLG	0.8651
453	4BF	0.8651
454	S24	0.8650
455	6C9	0.8647
456	F90	0.8646
457	Q06	0.8645
458	258	0.8643
459	HHI	0.8643
460	GZL	0.8643
461	HNL	0.8640
462	TSS	0.8639
463	JF2	0.8638
464	OMD	0.8638
465	KYA	0.8638
466	XYH	0.8638
467	HNK	0.8637
468	P0P	0.8637
469	4Z1	0.8635
470	R9J	0.8634
471	ZME	0.8634
472	DEW	0.8633
473	CK1	0.8632
474	CIR	0.8630
475	RUJ	0.8630
476	PTS	0.8630
477	MQB	0.8630
478	2O8	0.8630
479	HIS	0.8629
480	K80	0.8627
481	DHI	0.8624
482	97T	0.8624
483	TIH	0.8624
484	RAT	0.8622
485	1QV	0.8622
486	7MX	0.8621
487	KF5	0.8620
488	2CZ	0.8620
489	SAF	0.8619
490	VXX	0.8619
491	YO5	0.8619
492	67Y	0.8618
493	7R4	0.8617
494	NCT	0.8616
495	NLA	0.8612
496	42J	0.8611
497	25Y	0.8608
498	SV4	0.8606
499	SSM	0.8606
500	GB4	0.8605
501	92G	0.8605
502	DGL	0.8604
503	PHI	0.8603
504	SNU	0.8603
505	Q2Z	0.8602
506	SOJ	0.8601
507	ZYQ	0.8600
508	CHH	0.8599
509	DEE	0.8598
510	9UL	0.8597
511	EMZ	0.8594
512	ZYV	0.8593
513	EQW	0.8592
514	LL1	0.8588
515	I59	0.8588
516	BIO	0.8587
517	GB5	0.8587
518	3D8	0.8585
519	8GL	0.8583
520	NOK	0.8580
521	25X	0.8578
522	M4T	0.8576
523	GTK	0.8576
524	3Y7	0.8574
525	4NZ	0.8574
526	OSB	0.8573
527	F6R	0.8573
528	AY4	0.8572
529	LUQ	0.8570
530	LYS	0.8568
531	B2J	0.8564
532	2F6	0.8563
533	12T	0.8563
534	C4E	0.8562
535	4TB	0.8561
536	C0W	0.8556
537	EUH	0.8555
538	3B4	0.8555
539	F5C	0.8552
540	PIM	0.8548
541	MZT	0.8548
542	A9P	0.8547
543	AS3	0.8546
544	ZRK	0.8545
545	SQ7	0.8528
546	SDF	0.8525
547	TNX	0.8523
548	RUY	0.8519
549	7MU	0.8516
550	EYY	0.8505

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

Pocket No.: 1; Query (leader) PDB : 3MBI; Ligand: ADP; 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: 3mbi.bio2) has 20 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 3MBI; Ligand: ADP; 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: 3mbi.bio2) has 23 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 3MBI; Ligand: HSX; 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: 3mbi.bio2) has 15 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 4) in the query (biounit: 3mbi.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 3MBI; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 5) in the query (biounit: 3mbi.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity

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