Binding MOAD - The Mother of All Databases

Navigate: Expand All | Collapse All; Receptor | Ligand | View in 3D; Family: 90% | 70% | 50% | site
External Links: |
Download: Structure Biounit | Ligand Information; PDB : .ZIP | .CSV; Family 90% : .ZIP | .CSV; Class : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6VWO	1.78 Å	EC: 2.7.1.73	CRYSTAL STRUCTURE OF E. COLI GUANOSINE KINASE	ESCHERICHIA COLI (STRAIN K12)	GUANOSINE KINASE TRANSFERASE
Ref.:	PPGPP COORDINATES NUCLEOTIDE AND AMINO-ACID SYNTHES COLI DURING STARVATION. MOL.CELL V. 80 29 2020

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
GMP	A:502; A:503;	Valid; Valid;	none; none;	submit data	283.241	C10 H13 N5 O5	c1nc2...
K	A:506; A:505; A:504;	Part of Protein; Part of Protein; Part of Protein;	none; none; none;	submit data	39.098	K	[K+]
MG	A:507;	Invalid;	none;	submit data	24.305	Mg	[Mg+2...
ADP	A:501;	Valid;	none;	submit data	427.201	C10 H15 N5 O10 P2	c1nc(...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6VWO	1.78 Å	EC: 2.7.1.73	CRYSTAL STRUCTURE OF E. COLI GUANOSINE KINASE	ESCHERICHIA COLI (STRAIN K12)	GUANOSINE KINASE TRANSFERASE
Ref.:	PPGPP COORDINATES NUCLEOTIDE AND AMINO-ACID SYNTHES COLI DURING STARVATION. MOL.CELL V. 80 29 2020

Members (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6VWO	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

70% Homology Family (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6VWO	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

50% Homology Family (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6VWO	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: GMP; Similar ligands found: 106

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	GMP	1	1
2	5GP	0.732394	0.866667
3	G	0.732394	0.866667
4	3GP	0.704225	0.853333
5	GDP	0.684211	0.88
6	GNH	0.675325	0.868421
7	GP3	0.671053	0.857143
8	GP2	0.662338	0.846154
9	GTP	0.658228	0.88
10	2GP	0.657534	0.866667
11	KB7	0.653846	0.88
12	GSP	0.641975	0.835443
13	G2P	0.641975	0.846154
14	ALF 5GP	0.6375	0.802469
15	GMV	0.6375	0.857143
16	GPG	0.635294	0.87013
17	G1R	0.62963	0.868421
18	GCP	0.62963	0.857143
19	GDP BEF	0.62963	0.844156
20	GAV	0.626506	0.846154
21	GKE	0.625	0.87013
22	GDD	0.625	0.87013
23	GDC	0.625	0.87013
24	GTP MG	0.621951	0.866667
25	9GM	0.621951	0.857143
26	GNP	0.621951	0.857143
27	GDP AF3	0.593023	0.802469
28	GDP ALF	0.593023	0.802469
29	G4P	0.588235	0.866667
30	G2R	0.586207	0.846154
31	G3D	0.583333	0.866667
32	KBD	0.579545	0.88
33	SGP	0.576923	0.78481
34	P2G	0.576923	0.815789
35	GDR	0.565217	0.846154
36	GFB	0.565217	0.846154
37	GKD	0.56383	0.87013
38	P1G	0.5625	0.805195
39	0O2	0.561798	0.866667
40	YGP	0.56044	0.792683
41	G3A	0.55914	0.857143
42	6CK	0.55914	0.825
43	Y9Z	0.554348	0.817073
44	KBJ	0.554348	0.846154
45	G5P	0.553191	0.857143
46	NOS	0.549296	0.940298
47	GTG	0.548387	0.825
48	JB2	0.547368	0.846154
49	GPD	0.541667	0.814815
50	GDX	0.541667	0.857143
51	U2G	0.54	0.848101
52	GDP 7MG	0.536842	0.822785
53	C2E	0.53012	0.828947
54	35G	0.53012	0.84
55	PCG	0.53012	0.84
56	CG2	0.529412	0.848101
57	5GP 5GP	0.52381	0.815789
58	MG7	0.520548	0.957143
59	JB3	0.514852	0.835443
60	NGD	0.495146	0.846154
61	AKW	0.495146	0.783133
62	FEG	0.495146	0.77381
63	ZGP	0.490385	0.764706
64	GH3	0.488889	0.855263
65	DGP	0.487805	0.797468
66	DG	0.487805	0.797468
67	G C	0.481132	0.835443
68	2MD	0.481132	0.785714
69	BGO	0.480769	0.8125
70	GPX	0.478261	0.828947
71	4UO	0.472973	0.913043
72	XTS	0.472973	0.913043
73	DGI	0.471264	0.810127
74	MGD	0.46789	0.785714
75	CAG	0.46789	0.776471
76	TPG	0.45614	0.741573
77	FE9	0.455357	0.684211
78	I2C FE2 CMO CMO	0.455357	0.730337
79	1YD	0.454545	0.828947
80	4BW	0.454545	0.828947
81	GGM	0.453704	0.792683
82	SNI	0.453333	0.898551
83	PGD	0.451327	0.814815
84	MD1	0.451327	0.785714
85	DGT	0.450549	0.810127
86	G1R G1R	0.443478	0.835443
87	DBG	0.443478	0.835443
88	13A	0.441558	0.768293
89	GPC	0.441441	0.795181
90	PGD O	0.439655	0.75
91	APC G U	0.438596	0.797468
92	G4M	0.430894	0.797619
93	1YC	0.421569	0.802632
94	AD3	0.421053	0.882353
95	4UR	0.416667	0.828947
96	XYA	0.410959	0.882353
97	RAB	0.410959	0.882353
98	ADN	0.410959	0.882353
99	G1G	0.408696	0.814815
100	AC2	0.407895	0.797297
101	1DA	0.407895	0.882353
102	IMP	0.406977	0.84
103	3ZE	0.404494	0.772152
104	MZR	0.402778	0.838235
105	KT2	0.401786	0.828947
106	CFE	0.4	0.857143

Ligand no: 2; 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

Similar Ligands (3D)

Ligand no: 1; Ligand: GMP; Similar ligands found: 397

No:	Ligand	Similarity coefficient
1	IMG	0.9977
2	2FA	0.9970
3	6CR	0.9884
4	FMC	0.9820
5	TBN	0.9806
6	FMB	0.9801
7	GNG	0.9798
8	IMH	0.9786
9	FM1	0.9779
10	9DI	0.9768
11	2FD	0.9768
12	A	0.9757
13	UA2	0.9720
14	5FD	0.9715
15	CL9	0.9714
16	A4D	0.9697
17	5CD	0.9686
18	5N5	0.9670
19	MDR	0.9661
20	5AD	0.9654
21	8OX	0.9653
22	MTI	0.9644
23	NWW	0.9638
24	6MD	0.9631
25	MTM	0.9612
26	FM2	0.9610
27	5ID	0.9608
28	FTU	0.9602
29	PRH	0.9595
30	EKH	0.9581
31	5NB	0.9579
32	TAL	0.9578
33	HPR	0.9577
34	8HG	0.9577
35	RPP	0.9572
36	3D1	0.9571
37	MTA	0.9568
38	Y3J	0.9560
39	3AD	0.9557
40	DBM	0.9550
41	MTP	0.9518
42	3BH	0.9513
43	AFX	0.9490
44	RFZ	0.9488
45	MTH	0.9475
46	5F1	0.9469
47	DCF	0.9463
48	5I5	0.9448
49	PUR	0.9441
50	EP4	0.9440
51	26A	0.9423
52	CDY	0.9413
53	THM	0.9408
54	ARJ	0.9400
55	NOC	0.9400
56	7D7	0.9386
57	NWQ	0.9371
58	F01	0.9354
59	MCF	0.9351
60	5UD	0.9338
61	HO4	0.9331
62	H7S	0.9306
63	7CI	0.9272
64	5BT	0.9265
65	ZAS	0.9264
66	0DN	0.9257
67	CC5	0.9255
68	GA2	0.9245
69	MCY	0.9240
70	EXX	0.9234
71	NEC	0.9226
72	DNB	0.9220
73	SCT	0.9187
74	3DH	0.9185
75	Z8B	0.9155
76	NNR	0.9144
77	NIR	0.9141
78	N8M	0.9141
79	5MD	0.9140
80	3DT	0.9135
81	ID2	0.9135
82	B86	0.9123
83	SGV	0.9121
84	ZYV	0.9114
85	M2T	0.9114
86	ZJB	0.9112
87	NEO	0.9111
88	PE2	0.9109
89	SA0	0.9103
90	TO1	0.9102
91	ZYW	0.9100
92	URI	0.9098
93	AOJ	0.9098
94	TMC	0.9098
95	IM5	0.9094
96	3RP	0.9092
97	8DA	0.9091
98	AHU	0.9085
99	CTN	0.9073
100	3L1	0.9069
101	BVD	0.9062
102	ACE TRP	0.9044
103	2QU	0.9025
104	9UL	0.9012
105	LLT	0.9012
106	D1M	0.9010
107	I5A	0.8998
108	92O	0.8995
109	LM7	0.8994
110	XYP XDN	0.8994
111	XDN XYP	0.8994
112	AOC	0.8989
113	KF5	0.8988
114	UX0	0.8984
115	X2M	0.8977
116	1Q4	0.8969
117	BGC OXZ	0.8967
118	38B	0.8967
119	LVY	0.8964
120	Z15	0.8957
121	2TU	0.8949
122	CMP	0.8941
123	A4V	0.8940
124	TR7	0.8937
125	XYP AHR	0.8936
126	6SZ	0.8932
127	A4G	0.8925
128	TIZ	0.8922
129	0Q2	0.8922
130	Z17	0.8922
131	DBS	0.8917
132	DUR	0.8916
133	DCZ	0.8915
134	QQX	0.8915
135	5V7	0.8913
136	QQY	0.8910
137	TIA	0.8907
138	DTE	0.8903
139	TYU	0.8903
140	IXG	0.8897
141	MPU	0.8896
142	IFM BGC	0.8895
143	71V	0.8891
144	XMP	0.8891
145	CTE	0.8884
146	HBI	0.8880
147	78P	0.8877
148	EZN	0.8875
149	885	0.8875
150	6ZW	0.8874
151	5P7	0.8873
152	5E4	0.8873
153	3CA	0.8871
154	SP1	0.8865
155	XYP XIF	0.8865
156	XIF XYP	0.8865
157	X29	0.8865
158	5E5	0.8865
159	EO7	0.8864
160	AZZ	0.8861
161	URD	0.8860
162	2L2	0.8860
163	5JT	0.8859
164	KWB	0.8854
165	CTD	0.8853
166	A3N	0.8853
167	7VF	0.8851
168	5F7	0.8849
169	AMP	0.8848
170	4GU	0.8846
171	Q11	0.8845
172	Q5M	0.8845
173	5AE	0.8844
174	4L2	0.8844
175	JMQ	0.8843
176	ACK	0.8842
177	N5O	0.8842
178	NEU	0.8838
179	OVE	0.8838
180	RP1	0.8836
181	TRP	0.8836
182	96Z	0.8836
183	BC3	0.8836
184	2QV	0.8834
185	3Y7	0.8832
186	H4B	0.8831
187	MFR	0.8831
188	IMU	0.8830
189	UUA	0.8830
190	2UD	0.8829
191	DXK	0.8827
192	TOP	0.8826
193	ELH	0.8824
194	ZIQ	0.8824
195	O9Q	0.8822
196	AV4	0.8818
197	B2L	0.8817
198	XYP XYS	0.8816
199	NQ7	0.8815
200	Y70	0.8811
201	DK4	0.8810
202	P2L	0.8810
203	Q4G	0.8809
204	GPK	0.8808
205	C0Y	0.8806
206	THU	0.8806
207	145	0.8798
208	MBY	0.8795
209	CGW	0.8795
210	CC6	0.8794
211	1FL	0.8790
212	PVQ	0.8788
213	AJ4	0.8786
214	75G	0.8785
215	GEO	0.8784
216	DIH	0.8784
217	SRA	0.8783
218	BIO	0.8782
219	4K2	0.8782
220	5BX	0.8781
221	28B	0.8781
222	6CG	0.8777
223	MIL	0.8776
224	0GA	0.8775
225	G30	0.8772
226	RVD	0.8771
227	SX3	0.8770
228	B2X	0.8767
229	CPW	0.8767
230	4AB	0.8766
231	96U	0.8766
232	PBQ	0.8763
233	LU2	0.8763
234	3WO	0.8762
235	3WN	0.8762
236	PIR	0.8762
237	OUA	0.8761
238	57D	0.8759
239	XYS XYP	0.8756
240	PVK	0.8755
241	OUB	0.8755
242	XYP XYP	0.8754
243	22L	0.8754
244	M01	0.8753
245	M02	0.8752
246	DBQ	0.8750
247	ZSP	0.8749
248	6J3	0.8747
249	6J9	0.8747
250	4P8	0.8746
251	NWD	0.8744
252	JO5	0.8744
253	NXB	0.8743
254	0J4	0.8742
255	KL2	0.8740
256	ID8	0.8740
257	3GC	0.8737
258	XYS XYS	0.8732
259	DTR	0.8730
260	DTK	0.8730
261	WS6	0.8730
262	XEV	0.8730
263	SOV	0.8728
264	HVE	0.8727
265	88R	0.8726
266	XFE	0.8726
267	H2B	0.8725
268	RE4	0.8723
269	8P3	0.8721
270	6TX	0.8719
271	BBY	0.8718
272	0SY	0.8717
273	H70	0.8716
274	LMS	0.8715
275	2DL	0.8714
276	TQU	0.8711
277	KP2	0.8710
278	LL1	0.8709
279	GN6	0.8709
280	IA2	0.8706
281	ITW	0.8705
282	581	0.8702
283	L3L	0.8702
284	5NN	0.8701
285	2GD	0.8701
286	NIY	0.8700
287	KMP	0.8700
288	XIL	0.8699
289	7AP	0.8696
290	JAK	0.8695
291	6XC	0.8695
292	ERJ	0.8693
293	3JC	0.8692
294	VAO	0.8691
295	JY4	0.8689
296	3QI	0.8688
297	CWD	0.8685
298	LG7	0.8685
299	3AK	0.8682
300	RR7 GLC	0.8682
301	8OP	0.8681
302	8OG	0.8680
303	MEX	0.8680
304	3GX	0.8678
305	FWD	0.8677
306	T3P	0.8675
307	3AM	0.8675
308	LTN	0.8675
309	DS8	0.8674
310	B52	0.8674
311	BRD	0.8669
312	BGC GLC	0.8669
313	AVX	0.8668
314	BHS	0.8665
315	SBI	0.8665
316	1KX	0.8663
317	3WJ	0.8661
318	CG8	0.8661
319	WCU	0.8658
320	S0G	0.8656
321	EXG	0.8655
322	SY4	0.8654
323	BWD	0.8654
324	2AM	0.8652
325	XDL XYP	0.8651
326	6U5	0.8649
327	CJZ	0.8644
328	ZEB	0.8643
329	FUC GAL	0.8641
330	SMI	0.8639
331	JOH	0.8638
332	EAJ	0.8635
333	56N	0.8633
334	39Z	0.8632
335	BB4	0.8631
336	FY8	0.8630
337	ETV	0.8629
338	0OK	0.8627
339	GLC GAL	0.8625
340	0HY	0.8624
341	6NZ	0.8622
342	IWD	0.8622
343	AGI	0.8621
344	VCE	0.8620
345	EAT	0.8620
346	CCV	0.8619
347	MUK	0.8618
348	QKU	0.8615
349	GAL GAL	0.8615
350	TMP	0.8611
351	0DF	0.8610
352	ER6	0.8610
353	EF2	0.8609
354	092	0.8608
355	CMU	0.8607
356	64I	0.8605
357	BGC BMA	0.8605
358	MUX	0.8604
359	AJ6	0.8602
360	B1T	0.8600
361	6OG	0.8600
362	94M	0.8594
363	9PP	0.8593
364	A7M	0.8591
365	38E	0.8589
366	TGW	0.8588
367	ML1	0.8587
368	W29	0.8587
369	B98	0.8586
370	JMS	0.8579
371	MAN BMA	0.8578
372	CX5	0.8578
373	C0H	0.8577
374	DDU	0.8577
375	93A	0.8572
376	BGC BGC	0.8572
377	51Y	0.8571
378	CUH	0.8569
379	22T	0.8567
380	KXN	0.8564
381	EXR	0.8564
382	HDU	0.8563
383	DHZ	0.8561
384	NCV	0.8550
385	Q2S	0.8549
386	CHQ	0.8549
387	2AX	0.8539
388	7A9	0.8537
389	JOB	0.8534
390	CUT	0.8533
391	EV2	0.8527
392	C2M	0.8527
393	0DJ	0.8520
394	GW3	0.8518
395	XMM	0.8517
396	IEE	0.8511
397	IQQ	0.8508

Ligand no: 2; 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

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

Pocket No.: 1; Query (leader) PDB : 6VWO; Ligand: GMP; 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: 6vwo.bio1) has 8 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 6VWO; Ligand: GMP; 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: 6vwo.bio1) has 8 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 6VWO; Ligand: GMP; 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: 6vwo.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 6VWO; Ligand: GMP; 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: 6vwo.bio1) has 19 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 6VWO; Ligand: ADP; Similar sites found with APoc: 4

This union binding pocket(no: 5) in the query (biounit: 6vwo.bio1) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6C9V	ERS	8.33333
2	6C9V	ERS	8.33333
3	2VAR	AMP	10.2894
4	2VAR	AMP	10.2894

Pocket No.: 6; Query (leader) PDB : 6VWO; 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: 6) in the query (biounit: 6vwo.bio1) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

APoc FAQ