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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1KP3	2 Å	EC: 6.3.4.5	CRYSTAL STRUCTURE OF E. COLI ARGININOSUCCINATE SYNTHETASE IN WITH ATP AND CITRULLINE	ESCHERICHIA COLI	N-TYPE ATP PYROPHOSPHATASE LIGASE
Ref.:	SUBSTRATE INDUCED CONFORMATIONAL CHANGES IN ARGININOSUCCINATE SYNTHETASE J.BIOL.CHEM. V. 277 13074 2002

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
ATP	A:457;	Valid;	none;	submit data	507.181	C10 H16 N5 O13 P3	c1nc(...
CIR	A:458; A:459;	Valid; Valid;	none; none;	submit data	175.186	C6 H13 N3 O3	C(C[C...
GAI	A:460; A:461;	Invalid; Invalid;	none; none;	submit data	59.07	C H5 N3	C(=N)...
PO4	A:456;	Invalid;	none;	submit data	94.971	O4 P	[O-]P...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
1K97	2 Å	EC: 6.3.4.5	CRYSTAL STRUCTURE OF E. COLI ARGININOSUCCINATE SYNTHETASE IN WITH ASPARTATE AND CITRULLINE	ESCHERICHIA COLI	N-TYPE ATP PYROPHOSPHATASE LIGASE
Ref.:	THE 1.6 A CRYSTAL STRUCTURE OF E. COLI ARGININOSUCC SYNTHETASE SUGGESTS A CONFORMATIONAL CHANGE DURING CATALYSIS. STRUCTURE V. 9 1153 2001

Members (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1K97	-	CIR	C6 H13 N3 O3	C(C[C@@H](....
2	1KP2	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
3	1KP3	-	CIR	C6 H13 N3 O3	C(C[C@@H](....

70% Homology Family (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1K97	-	CIR	C6 H13 N3 O3	C(C[C@@H](....
2	1KP2	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
3	1KP3	-	CIR	C6 H13 N3 O3	C(C[C@@H](....

50% Homology Family (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	1K97	-	CIR	C6 H13 N3 O3	C(C[C@@H](....
2	1KP2	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
3	1KP3	-	CIR	C6 H13 N3 O3	C(C[C@@H](....

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: CIR; Similar ligands found: 52

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	CIR	1	1
2	ARG	0.735294	0.763158
3	DAR	0.735294	0.763158
4	ILO	0.631579	0.675
5	NMM	0.6	0.725
6	VUR	0.6	0.7
7	4JK	0.6	0.725
8	ONH	0.6	0.619048
9	HAR	0.6	0.681818
10	WT2	0.585366	0.783784
11	3AR	0.571429	0.690476
12	DA2	0.571429	0.617021
13	PAO	0.571429	0.615385
14	2MR	0.55814	0.707317
15	2YH	0.55814	0.810811
16	3KJ	0.55814	0.6
17	VIO	0.55814	0.627907
18	1KJ	0.545455	0.652174
19	JM2	0.545455	0.636364
20	AAR	0.540541	0.675
21	2YJ	0.533333	0.769231
22	RPI	0.533333	0.627451
23	API	0.53125	0.685714
24	LN6	0.521739	0.627907
25	ALY	0.512195	0.74359
26	HRG	0.512195	0.763158
27	JM7	0.510638	0.636364
28	JM8	0.510204	0.622222
29	AS1	0.5	0.738095
30	2KJ	0.5	0.638298
31	D20	0.5	0.652174
32	OLN	0.488372	0.894737
33	ORN	0.485714	0.735294
34	JM4	0.48	0.608696
35	JM6	0.48	0.608696
36	MLZ	0.475	0.634146
37	JM5	0.470588	0.622222
38	UN1	0.459459	0.638889
39	11C	0.459459	0.638889
40	DLY	0.459459	0.714286
41	LYS	0.447368	0.694444
42	DHH	0.447368	0.621622
43	0TF	0.4375	0.769231
44	9YT	0.435897	0.7
45	NPI	0.435897	0.621622
46	LBY	0.428571	0.688889
47	2YG	0.428571	0.769231
48	6CL	0.425	0.666667
49	5CT	0.416667	0.658537
50	HSE	0.411765	0.605263
51	DAB	0.411765	0.666667
52	HCS	0.4	0.611111

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: CIR; Similar ligands found: 336

No:	Ligand	Similarity coefficient
1	TRP	1.0000
2	MLY	0.9957
3	IAR	0.9772
4	GGB	0.9732
5	6HN	0.9628
6	26P	0.9620
7	M3L	0.9583
8	EXY	0.9578
9	JX7	0.9556
10	EGV	0.9504
11	ZZU	0.9478
12	PML	0.9450
13	M3P	0.9445
14	AHL	0.9437
15	GVA	0.9399
16	ABH	0.9394
17	FB6	0.9385
18	M1T	0.9370
19	E8U	0.9364
20	NOT	0.9352
21	LPB	0.9326
22	S2C	0.9325
23	NNH	0.9314
24	ENW	0.9284
25	4TB	0.9282
26	L06	0.9275
27	TEG	0.9253
28	4DI	0.9233
29	HC4	0.9221
30	2OR	0.9211
31	DHC	0.9208
32	LYN	0.9207
33	2NP	0.9204
34	2FM	0.9187
35	DDW	0.9181
36	XI7	0.9176
37	OCA	0.9165
38	64Z	0.9154
39	MF3	0.9153
40	KNA	0.9142
41	LPA	0.9135
42	FXY	0.9132
43	ENV	0.9127
44	6C4	0.9115
45	OJD	0.9115
46	XRX	0.9107
47	SB7	0.9107
48	SLZ	0.9106
49	P81	0.9098
50	OOG	0.9098
51	011	0.9082
52	ENO	0.9080
53	Z70	0.9075
54	5AB	0.9075
55	HCI	0.9069
56	DXG	0.9062
57	1HS	0.9061
58	HPP	0.9061
59	RGP	0.9056
60	0L1	0.9054
61	58X	0.9051
62	GB5	0.9049
63	AZM	0.9044
64	F90	0.9044
65	LUQ	0.9042
66	HGA	0.9040
67	7XA	0.9038
68	NFZ	0.9038
69	O45	0.9037
70	1PS	0.9035
71	6FG	0.9034
72	J9Y	0.9033
73	EYV	0.9029
74	KAP	0.9026
75	DLT	0.9024
76	4FE	0.9022
77	2JJ	0.9019
78	DDK	0.9015
79	G14	0.9015
80	AOY	0.9007
81	HIS	0.9007
82	IJ6	0.9004
83	PBA	0.8997
84	F98	0.8996
85	CLT	0.8995
86	DKA	0.8995
87	PAU	0.8992
88	7OD	0.8990
89	N8C	0.8986
90	6XA	0.8979
91	DNN	0.8977
92	ODI	0.8976
93	KPC	0.8973
94	4ZD	0.8971
95	G3M	0.8970
96	AHN	0.8968
97	9J6	0.8967
98	TCA	0.8965
99	XOG	0.8964
100	5KJ	0.8964
101	7BC	0.8962
102	DIR	0.8958
103	OC9	0.8957
104	A51	0.8951
105	TZM	0.8949
106	FER	0.8943
107	LZ5	0.8942
108	IVL	0.8940
109	GLY GLY GLY	0.8940
110	TZP	0.8939
111	PBN	0.8938
112	P93	0.8937
113	37E	0.8931
114	GRQ	0.8928
115	ODK	0.8926
116	CXP	0.8925
117	PA5	0.8923
118	Q06	0.8920
119	11X	0.8919
120	GGG	0.8918
121	6MW	0.8917
122	PMV	0.8915
123	TB8	0.8913
124	5OY	0.8910
125	E79	0.8910
126	PRO GLY	0.8910
127	KDG	0.8908
128	M5P	0.8908
129	6C8	0.8907
130	QH3	0.8907
131	B3U	0.8903
132	492	0.8902
133	R10	0.8902
134	BCH	0.8901
135	8SZ	0.8901
136	3YP	0.8899
137	LXP	0.8898
138	5LD	0.8897
139	5PV	0.8896
140	6C9	0.8896
141	5DL	0.8895
142	CUW	0.8892
143	P80	0.8889
144	7C3	0.8888
145	MHN	0.8888
146	DZA	0.8888
147	5DS	0.8887
148	7UC	0.8886
149	DEZ	0.8882
150	TYR	0.8880
151	HIC	0.8876
152	3H2	0.8876
153	7O4	0.8873
154	2J3	0.8870
155	3GZ	0.8869
156	HPL	0.8869
157	FOM	0.8869
158	GLR	0.8869
159	5SP	0.8865
160	EYJ	0.8864
161	SPD	0.8859
162	6C5	0.8857
163	5TO	0.8856
164	QFJ	0.8854
165	4TP	0.8853
166	ATX	0.8851
167	AKG	0.8851
168	I2E	0.8849
169	BHU	0.8847
170	3PG	0.8845
171	3QO	0.8845
172	D5X	0.8843
173	FHV	0.8843
174	TPM	0.8841
175	DTY	0.8841
176	S8V	0.8839
177	NSD	0.8838
178	KLS	0.8838
179	YIE	0.8837
180	XRS	0.8836
181	LVD	0.8833
182	IPE	0.8833
183	NMH	0.8829
184	OYA	0.8828
185	DXP	0.8823
186	SEP	0.8822
187	7MW	0.8820
188	6J5	0.8820
189	PHE	0.8809
190	3OL	0.8809
191	D4G	0.8806
192	PPY	0.8802
193	XIZ	0.8801
194	M6H	0.8801
195	IP8	0.8800
196	HLP	0.8799
197	SSB	0.8796
198	GAE	0.8795
199	DPN	0.8793
200	N6C	0.8791
201	HPN	0.8790
202	1X4	0.8790
203	4BX	0.8790
204	3VQ	0.8787
205	J0Z	0.8787
206	DAH	0.8786
207	AT3	0.8785
208	R5P	0.8785
209	DER	0.8784
210	0NX	0.8782
211	9GB	0.8781
212	3CX	0.8779
213	HL4	0.8779
214	68B	0.8779
215	KPV	0.8774
216	9VQ	0.8774
217	LL2	0.8768
218	NWH	0.8766
219	YIP	0.8762
220	CHH	0.8760
221	GLN	0.8759
222	AG2	0.8759
223	FUD	0.8758
224	HJD	0.8756
225	KQY	0.8755
226	HFA	0.8755
227	GO2	0.8754
228	SB9	0.8753
229	A5P	0.8752
230	Q9Z	0.8750
231	XCG	0.8750
232	ACA	0.8748
233	JZA	0.8745
234	MVH	0.8744
235	GCO	0.8743
236	N9J	0.8742
237	GPJ	0.8742
238	S0W	0.8741
239	NFA	0.8737
240	TIH	0.8734
241	848	0.8732
242	6Q3	0.8725
243	E4P	0.8725
244	RLG	0.8723
245	SZ7	0.8721
246	QBM	0.8720
247	3IP	0.8720
248	RA7	0.8720
249	F6R	0.8719
250	8CV	0.8714
251	LGT	0.8711
252	1L5	0.8710
253	RES	0.8710
254	GLO	0.8708
255	GJK	0.8707
256	PAN	0.8705
257	GZ2	0.8702
258	650	0.8701
259	TOH	0.8700
260	3XH	0.8699
261	NF3	0.8699
262	VFG	0.8696
263	37Z	0.8695
264	EOU	0.8691
265	PC	0.8690
266	DHM	0.8686
267	TYC	0.8686
268	BL0	0.8685
269	SSC	0.8684
270	SHV	0.8682
271	H35	0.8682
272	6ZX	0.8681
273	HSA	0.8680
274	FK8	0.8678
275	TX4	0.8676
276	DX5	0.8672
277	SNR	0.8670
278	G3P	0.8670
279	1H1	0.8669
280	S2P	0.8669
281	HE8	0.8669
282	EN1	0.8663
283	CIY	0.8661
284	JF5	0.8658
285	RP5	0.8658
286	GPF	0.8655
287	3PO	0.8653
288	47V	0.8652
289	PO6	0.8650
290	CCU	0.8648
291	STX	0.8648
292	MES	0.8648
293	R2P	0.8646
294	HG3	0.8645
295	GNW	0.8641
296	JPQ	0.8641
297	HPO	0.8639
298	9C2	0.8636
299	YOF	0.8634
300	RP3	0.8634
301	HSX	0.8630
302	5XA	0.8629
303	EFF	0.8627
304	J4K	0.8625
305	PFF	0.8622
306	C82	0.8618
307	6HO	0.8614
308	SOJ	0.8612
309	SNO	0.8612
310	4CF	0.8611
311	3CR	0.8609
312	2UZ	0.8606
313	ZIP	0.8606
314	DGL	0.8603
315	L14	0.8600
316	S8G	0.8600
317	FZM	0.8591
318	ABF	0.8591
319	Z13	0.8591
320	T03	0.8588
321	4FP	0.8586
322	ALA ALA	0.8584
323	K6V	0.8580
324	N7I	0.8579
325	S7D	0.8579
326	G3H	0.8576
327	13P	0.8576
328	BSA	0.8576
329	S0F	0.8572
330	4XF	0.8571
331	IPR	0.8567
332	GUA	0.8557
333	OHJ	0.8547
334	55D	0.8529
335	GP9	0.8526
336	9ON	0.8516

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

Pocket No.: 1; Query (leader) PDB : 1K97; Ligand: ASP; 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: 1k97.bio1) has 38 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 1K97; Ligand: ASP; 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: 1k97.bio1) has 38 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 1K97; Ligand: ASP; 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: 1k97.bio1) has 38 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 1K97; Ligand: ASP; 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: 1k97.bio1) has 38 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 1K97; Ligand: CIR; 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: 1k97.bio1) has 39 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 6; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 6) in the query (biounit: 1k97.bio1) has 39 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 7; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 7) in the query (biounit: 1k97.bio1) has 39 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 8; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 8) in the query (biounit: 1k97.bio1) has 39 residues
No:	Leader PDB	Ligand	Sequence Similarity

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