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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1XNG	1.7 Å	EC: 6.3.1.5	CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI	HELICOBACTER PYLORI	NH3-DEPENDENT NAD+ SYNTHETASE HELICOBACTER PYLORI AMIDOTRANSFERASE LIGASE
Ref.:	CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI PROTEINS V. 58 985 2005

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
ATP	A:303; B:304;	Valid; Valid;	none; none;	submit data	507.181	C10 H16 N5 O13 P3	c1nc(...
DND	A:301; B:302;	Valid; Valid;	none; none;	submit data	665.418	C21 H27 N6 O15 P2	c1cc(...
MG	A:309; B:308;	Part of Protein; Part of Protein;	none; none;	submit data	24.305	Mg	[Mg+2...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
1XNG	1.7 Å	EC: 6.3.1.5	CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI	HELICOBACTER PYLORI	NH3-DEPENDENT NAD+ SYNTHETASE HELICOBACTER PYLORI AMIDOTRANSFERASE LIGASE
Ref.:	CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI PROTEINS V. 58 985 2005

Members (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	1XNG	-	DND	C21 H27 N6 O15 P2	c1cc(c[n+]....

70% Homology Family (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1XNG	-	DND	C21 H27 N6 O15 P2	c1cc(c[n+]....

50% Homology Family (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	1XNG	-	DND	C21 H27 N6 O15 P2	c1cc(c[n+]....

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: DND; Similar ligands found: 299

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	DND	1	1
2	NAD	0.765766	0.972603
3	A3D	0.752212	0.959459
4	NAD TDB	0.727273	0.958904
5	NAD IBO	0.727273	0.958904
6	AMP NAD	0.689655	0.972603
7	A2D	0.659574	0.958904
8	CNA	0.644068	0.972973
9	BA3	0.628866	0.958904
10	AP5	0.622449	0.958904
11	B4P	0.622449	0.958904
12	NHD	0.619835	0.945946
13	ZID	0.619048	0.959459
14	NAP	0.619048	0.959459
15	AR6	0.613861	0.958904
16	APR	0.613861	0.958904
17	NAQ	0.611111	0.910256
18	NA0	0.609375	0.946667
19	ADP	0.606061	0.932432
20	ATP	0.60396	0.932432
21	KG4	0.60396	0.959459
22	HEJ	0.60396	0.932432
23	NAE	0.603175	0.934211
24	TAP	0.601562	0.897436
25	AT4	0.6	0.896104
26	AN2	0.6	0.92
27	AQP	0.598039	0.932432
28	5FA	0.598039	0.932432
29	NFD	0.596774	0.922078
30	8ID	0.596639	0.923077
31	M33	0.594059	0.92
32	CA0	0.594059	0.959459
33	OOB	0.592593	0.972603
34	AGS	0.592233	0.884615
35	AD9	0.592233	0.907895
36	N01	0.592	0.945946
37	OAD	0.590909	0.959459
38	ACP	0.588235	0.907895
39	A1R	0.587156	0.873418
40	DQV	0.581197	0.972603
41	3OD	0.580357	0.959459
42	NDE	0.578947	0.946667
43	HQG	0.574074	0.945946
44	A3R	0.572727	0.873418
45	WAQ	0.571429	0.897436
46	NDC	0.57037	0.910256
47	A22	0.568807	0.945946
48	8LQ	0.568807	0.921053
49	00A	0.567568	0.922078
50	DLL	0.567568	0.972603
51	JNT	0.567568	0.907895
52	ANP	0.566038	0.907895
53	ACQ	0.566038	0.907895
54	ADX	0.563107	0.841463
55	9X8	0.5625	0.909091
56	AMP	0.561224	0.905405
57	A	0.561224	0.905405
58	NGD	0.560976	0.923077
59	5AL	0.560748	0.945946
60	8LE	0.560748	0.909091
61	45A	0.56	0.881579
62	ABM	0.56	0.881579
63	NJP	0.56	0.96
64	50T	0.557692	0.894737
65	ATF	0.555556	0.896104
66	QA7	0.554545	0.909091
67	PRX	0.552381	0.858974
68	NAJ	0.552	0.945946
69	6YZ	0.550459	0.907895
70	SRP	0.550459	0.921053
71	8LH	0.550459	0.921053
72	3UK	0.548673	0.959459
73	V2G	0.546296	0.886076
74	AMO	0.544643	0.946667
75	4AD	0.544643	0.96
76	ADQ	0.544643	0.959459
77	B5V	0.54386	0.946667
78	9SN	0.543103	0.910256
79	NAX	0.540984	0.8875
80	AMP MG	0.54	0.917808
81	FYA	0.53913	0.894737
82	1ZZ	0.53913	0.853659
83	B5M	0.538462	0.934211
84	SON	0.538462	0.921053
85	FA5	0.538462	0.946667
86	GAP	0.537037	0.933333
87	TXE	0.536585	0.922078
88	8QN	0.535714	0.945946
89	F2R	0.535433	0.855422
90	A12	0.533981	0.896104
91	AP2	0.533981	0.896104
92	9JJ	0.533784	0.9
93	48N	0.532787	0.910256
94	PAJ	0.530973	0.898734
95	PR8	0.530435	0.864198
96	NCN	0.53	0.808219
97	6V0	0.528455	0.910256
98	NAI	0.528455	0.922078
99	TXD	0.528455	0.922078
100	AHX	0.526316	0.886076
101	TXA	0.525862	0.946667
102	BIS	0.525862	0.873418
103	KMQ	0.525424	0.921053
104	G3A	0.525	0.910256
105	SRA	0.524752	0.858974
106	OMR	0.524194	0.865854
107	ADP BEF	0.52381	0.931507
108	ADP MG	0.52381	0.931507
109	APC	0.523364	0.896104
110	TAT	0.522936	0.896104
111	T99	0.522936	0.896104
112	25L	0.521368	0.945946
113	G5P	0.520661	0.910256
114	L3W	0.52	0.921053
115	AU1	0.518868	0.907895
116	LAD	0.517241	0.875
117	ME8	0.512821	0.853659
118	PTJ	0.512821	0.886076
119	NB8	0.512821	0.910256
120	B5Y	0.512605	0.934211
121	LAQ	0.512195	0.853659
122	80F	0.51145	0.878049
123	9ZA	0.508772	0.897436
124	5SV	0.508772	0.817073
125	9ZD	0.508772	0.897436
126	OZV	0.508772	0.932432
127	25A	0.508772	0.932432
128	139	0.507812	0.8875
129	ATP MG	0.504587	0.931507
130	ADV	0.504587	0.921053
131	APC MG	0.504587	0.906667
132	ADP PO3	0.504587	0.931507
133	RBY	0.504587	0.921053
134	GTA	0.504065	0.9
135	NDO	0.503704	0.933333
136	EAD	0.50365	0.8875
137	TYM	0.5	0.946667
138	BEF ADP	0.5	0.906667
139	IOT	0.5	0.823529
140	DAL AMP	0.5	0.945946
141	ALF ADP	0.5	0.860759
142	VO4 ADP	0.5	0.907895
143	ANP MG	0.5	0.92
144	NAD BBN	0.5	0.878049
145	T5A	0.496124	0.855422
146	AP0	0.496063	0.886076
147	AFH	0.495935	0.898734
148	4UU	0.495935	0.934211
149	XAH	0.495868	0.831325
150	NAD CJ3	0.493243	0.847059
151	A4P	0.492188	0.835294
152	UP5	0.492063	0.934211
153	4UV	0.491803	0.934211
154	MAP	0.486957	0.884615
155	COD	0.484848	0.804598
156	ADJ	0.484615	0.865854
157	GA7	0.483871	0.896104
158	DZD	0.481203	0.898734
159	BT5	0.481203	0.823529
160	4UW	0.480315	0.898734
161	M24	0.477941	0.8875
162	AOC	0.47619	0.789474
163	4TC	0.472868	0.910256
164	YLP	0.472441	0.833333
165	7MD	0.472	0.876543
166	NBP	0.471429	0.898734
167	LMS	0.471154	0.797619
168	MYR AMP	0.471074	0.853659
169	V47	0.469565	0.824324
170	P1H	0.468531	0.865854
171	AMP DBH	0.467742	0.933333
172	ODP	0.466165	0.923077
173	DSZ	0.466102	0.813953
174	A2R	0.465517	0.945946
175	NAD NDT	0.464968	0.739583
176	PAP	0.464286	0.918919
177	ATP A	0.463415	0.945205
178	ATP A A A	0.463415	0.945205
179	NAJ PZO	0.463235	0.886076
180	YLA	0.462121	0.833333
181	YLB	0.461538	0.833333
182	YLC	0.461538	0.853659
183	8X1	0.461538	0.747253
184	NMN	0.461538	0.851351
185	ARG AMP	0.460317	0.843373
186	G5A	0.460177	0.772727
187	5AS	0.458716	0.752809
188	ADP BMA	0.458333	0.959459
189	NA7	0.458333	0.896104
190	AVV	0.457627	0.8625
191	2A5	0.455357	0.858974
192	P5A	0.454545	0.73913
193	VMS	0.452991	0.781609
194	54H	0.452991	0.781609
195	A7R	0.452381	0.858974
196	ATR	0.451327	0.905405
197	7D4	0.45045	0.846154
198	ITT	0.45045	0.88
199	UPA	0.450382	0.922078
200	LPA AMP	0.449612	0.853659
201	TSB	0.449153	0.811765
202	A5A	0.448276	0.8
203	AYB	0.447761	0.823529
204	HFD	0.447368	0.884615
205	JSQ	0.447368	0.884615
206	TAD	0.445312	0.875
207	SSA	0.444444	0.793103
208	6FA	0.442953	0.855422
209	D4F	0.442857	0.876543
210	ALF ADP 3PG	0.442748	0.875
211	GSU	0.442623	0.793103
212	FB0	0.442177	0.777778
213	AHZ	0.44186	0.853659
214	NSS	0.441667	0.813953
215	BTX	0.441176	0.811765
216	0WD	0.441176	0.910256
217	52H	0.440678	0.772727
218	7D3	0.440367	0.846154
219	5CD	0.44	0.773333
220	8PZ	0.44	0.813953
221	6AD	0.439655	0.851852
222	7MC	0.439394	0.855422
223	9K8	0.439024	0.747253
224	JB6	0.439024	0.873418
225	RAB	0.438776	0.810811
226	ADN	0.438776	0.810811
227	XYA	0.438776	0.810811
228	NVA LMS	0.438017	0.766667
229	53H	0.436975	0.772727
230	5CA	0.436975	0.793103
231	N0B	0.43662	0.855422
232	YSA	0.436508	0.793103
233	A3P	0.436364	0.905405
234	FDA	0.436242	0.825581
235	YLY	0.435714	0.823529
236	LEU LMS	0.434426	0.764045
237	4YB	0.434109	0.795455
238	H1Q	0.433628	0.893333
239	AF3 ADP 3PG	0.431818	0.875
240	3AT	0.431034	0.906667
241	5N5	0.43	0.786667
242	LSS	0.429752	0.755556
243	NPW	0.42963	0.876543
244	NAJ PYZ	0.429577	0.843373
245	FAS	0.427632	0.865854
246	SFD	0.427632	0.747368
247	FAD	0.427632	0.865854
248	KOY	0.427481	0.842105
249	PPS	0.42735	0.819277
250	EP4	0.427184	0.725
251	AR6 AR6	0.426357	0.958904
252	FNK	0.425806	0.797753
253	A4D	0.425743	0.786667
254	B1U	0.425197	0.769231
255	DTA	0.423077	0.779221
256	P5F	0.42236	0.858824
257	CUU	0.421053	0.906667
258	649	0.421053	0.758242
259	WSA	0.421053	0.802326
260	5X8	0.421053	0.779221
261	3AM	0.420561	0.866667
262	4TA	0.42029	0.843373
263	J4G	0.419355	0.909091
264	KAA	0.419355	0.747253
265	NDP	0.419118	0.910256
266	MTA	0.419048	0.74359
267	F2N	0.417178	0.806818
268	NO7	0.416667	0.871795
269	TXP	0.416058	0.910256
270	NZQ	0.416058	0.898734
271	7D5	0.415094	0.820513
272	ARU	0.414634	0.807229
273	6RE	0.412844	0.731707
274	AV2	0.411765	0.857143
275	3DH	0.411215	0.74359
276	A2P	0.410714	0.891892
277	QXP	0.409836	0.77907
278	M2T	0.409524	0.728395
279	SFG	0.408696	0.766234
280	R2V	0.408	0.77907
281	62F	0.407643	0.853659
282	8Q2	0.407407	0.786517
283	38V	0.406897	0.876543
284	DTP	0.40678	0.846154
285	FA9	0.406061	0.855422
286	PUA	0.405594	0.875
287	J7C	0.405405	0.719512
288	A3N	0.405405	0.75641
289	FAY	0.405063	0.876543
290	DG1	0.40411	0.910256
291	1DG	0.40411	0.910256
292	ZAS	0.40367	0.759494
293	RFL	0.402516	0.835294
294	A5D	0.401709	0.779221
295	SA8	0.401709	0.722892
296	CMX	0.401361	0.816092
297	SCO	0.401361	0.816092
298	FAJ	0.401198	0.845238
299	XNP	0.4	0.864198

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: DND; Similar ligands found: 0

No:	Ligand	Similarity coefficient

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

Pocket No.: 1; Query (leader) PDB : 1XNG; Ligand: DND; Similar sites found with APoc: 1

This union binding pocket(no: 1) in the query (biounit: 1xng.bio1) has 27 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	1KQP	ADJ	38.806

Pocket No.: 2; Query (leader) PDB : 1XNG; Ligand: ATP; Similar sites found with APoc: 2

This union binding pocket(no: 2) in the query (biounit: 1xng.bio1) has 20 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	1KQP	ADJ	38.806
2	1KQP	ADJ	38.806

Pocket No.: 3; Query (leader) PDB : 1XNG; Ligand: DND; Similar sites found with APoc: 2

This union binding pocket(no: 3) in the query (biounit: 1xng.bio1) has 28 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	1KQP	ADJ	38.806
2	1KQP	ADJ	38.806

Pocket No.: 4; Query (leader) PDB : 1XNG; Ligand: ATP; Similar sites found with APoc: 2

This union binding pocket(no: 4) in the query (biounit: 1xng.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	1KQP	ADJ	38.806
2	1KQP	ADJ	38.806

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