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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5GMD	1.5 Å	EC: 4.1.1.33	CRYSTAL STRUCTURE OF SULFOLOBUS SOLFATARICUS DIPHOSPHOMEVALO DECARBOXYLASE IN COMPLEX WITH ATP-GAMMA-S	SULFOLOBUS SOLFATARICUS (STRAIN ATCC 3DSM 1617 / JCM 11322 / P2)	SULFOLOBUS SOLFATARICUS DIPHOSPHOMEVALONATE DECARBOXYLASE LYASE
Ref.:	A SINGLE AMINO ACID MUTATION CONVERTS (R)-5-DIPHOSPHOMEVALONATE DECARBOXYLASE INTO A KINA J. BIOL. CHEM. V. 292 2457 2017

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
AGS	A:1002;	Valid;	none;	submit data	523.247	C10 H16 N5 O12 P3 S	c1nc(...
SO4	A:1004; A:1005;	Invalid; Invalid;	none; none;	submit data	96.063	O4 S	[O-]S...
AMP	A:1003;	Valid;	none;	submit data	347.221	C10 H14 N5 O7 P	c1nc(...
DP6	A:1001;	Valid;	none;	submit data	308.117	C6 H14 O10 P2	C[C@@...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5GMD	1.5 Å	EC: 4.1.1.33	CRYSTAL STRUCTURE OF SULFOLOBUS SOLFATARICUS DIPHOSPHOMEVALO DECARBOXYLASE IN COMPLEX WITH ATP-GAMMA-S	SULFOLOBUS SOLFATARICUS (STRAIN ATCC 3DSM 1617 / JCM 11322 / P2)	SULFOLOBUS SOLFATARICUS DIPHOSPHOMEVALONATE DECARBOXYLASE LYASE
Ref.:	A SINGLE AMINO ACID MUTATION CONVERTS (R)-5-DIPHOSPHOMEVALONATE DECARBOXYLASE INTO A KINA J. BIOL. CHEM. V. 292 2457 2017

Members (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	5GME	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
2	5GMD	-	AMP	C10 H14 N5 O7 P	c1nc(c2c(n....

70% Homology Family (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	5GME	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
2	5GMD	-	AMP	C10 H14 N5 O7 P	c1nc(c2c(n....

50% Homology Family (19)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	4DU8	-	2P0	C7 H13 N O10 P2	C1C[C@H](N....
2	4DPY	-	2P0	C7 H13 N O10 P2	C1C[C@H](N....
3	4DPT	-	FM0	C6 H13 F O10 P2	C(CO[P@](=....
4	3QT6	Ki = 4.3 uM	2P0	C7 H13 N O10 P2	C1C[C@H](N....
5	4DPU	-	FM0	C6 H13 F O10 P2	C(CO[P@](=....
6	3QT7	Ki = 49 uM	FM0	C6 H13 F O10 P2	C(CO[P@](=....
7	4DU7	-	DP6	C6 H14 O10 P2	C[C@@](CCO....
8	3QT8	-	FM0	C6 H13 F O10 P2	C(CO[P@](=....
9	5GME	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
10	5GMD	-	AMP	C10 H14 N5 O7 P	c1nc(c2c(n....
11	6N0Z	-	DP6	C6 H14 O10 P2	C[C@@](CCO....
12	6N0X	-	PMV	C6 H13 O7 P	C[C@@](CCO....
13	6N0Y	-	DP6	C6 H14 O10 P2	C[C@@](CCO....
14	6E2V	-	DP6	C6 H14 O10 P2	C[C@@](CCO....
15	6E2W	-	DP6	C6 H14 O10 P2	C[C@@](CCO....
16	6E2U	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
17	6E2Y	-	DP6	C6 H14 O10 P2	C[C@@](CCO....
18	5V2L	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
19	6E2T	-	DP6	C6 H14 O10 P2	C[C@@](CCO....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: AGS; Similar ligands found: 486

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	AGS	1	1
2	BA3	0.887324	0.92
3	B4P	0.875	0.92
4	AP5	0.875	0.92
5	A2D	0.859155	0.92
6	ATP	0.84	0.945946
7	HEJ	0.84	0.945946
8	5FA	0.828947	0.945946
9	AQP	0.828947	0.945946
10	AN2	0.813333	0.933333
11	ADP	0.8	0.945946
12	AT4	0.789474	0.986486
13	APR	0.782051	0.92
14	AR6	0.782051	0.92
15	M33	0.779221	0.907895
16	AD9	0.772152	0.921053
17	ACP	0.769231	0.921053
18	HQG	0.759036	0.933333
19	SRA	0.756757	0.972973
20	A22	0.75	0.933333
21	50T	0.746835	0.907895
22	AMP	0.743243	0.918919
23	A	0.743243	0.918919
24	ADX	0.734177	0.9
25	CA0	0.734177	0.896104
26	ADQ	0.732558	0.896104
27	ANP	0.731707	0.921053
28	ACQ	0.731707	0.921053
29	25L	0.730337	0.933333
30	6YZ	0.72619	0.921053
31	KG4	0.725	0.896104
32	PRX	0.716049	0.848101
33	9X8	0.715909	0.947368
34	OAD	0.715909	0.896104
35	ATF	0.714286	0.909091
36	45A	0.714286	0.87013
37	ABM	0.714286	0.87013
38	AMP MG	0.710526	0.88
39	JNT	0.704545	0.896104
40	A12	0.696203	0.909091
41	AP2	0.696203	0.909091
42	A1R	0.693182	0.8625
43	A3R	0.693182	0.8625
44	T99	0.690476	0.986486
45	TAT	0.690476	0.986486
46	5AL	0.682353	0.883117
47	8LE	0.682353	0.85
48	25A	0.681818	0.92
49	3OD	0.681319	0.896104
50	ADP MG	0.679012	0.893333
51	ADP BEF	0.679012	0.893333
52	APC	0.674699	0.909091
53	AU1	0.670732	0.921053
54	SRP	0.666667	0.860759
55	APC MG	0.666667	0.87013
56	8LH	0.666667	0.860759
57	KMQ	0.659574	0.884615
58	G3A	0.65625	0.875
59	4AD	0.655556	0.873418
60	QA7	0.651685	0.85
61	8LQ	0.651685	0.860759
62	G5P	0.649485	0.875
63	AFH	0.649485	0.841463
64	00A	0.648352	0.839506
65	ADP PO3	0.647059	0.893333
66	ATP MG	0.647059	0.893333
67	RBY	0.647059	0.884615
68	ADV	0.647059	0.884615
69	BIS	0.645161	0.886076
70	OZV	0.644444	0.92
71	5SV	0.644444	0.807229
72	8QN	0.644444	0.883117
73	OOB	0.644444	0.883117
74	GTA	0.642857	0.843373
75	BEF ADP	0.639535	0.87013
76	PAJ	0.637363	0.841463
77	AMO	0.637363	0.884615
78	VO4 ADP	0.636364	0.896104
79	ITT	0.630952	0.893333
80	DLL	0.630435	0.883117
81	AHX	0.630435	0.851852
82	NB8	0.62766	0.851852
83	V2G	0.625	0.851852
84	UP5	0.623762	0.873418
85	3UK	0.623656	0.871795
86	SON	0.619048	0.884615
87	ANP MG	0.617977	0.883117
88	ALF ADP	0.617977	0.82716
89	OMR	0.617647	0.811765
90	WAQ	0.617021	0.839506
91	LAD	0.617021	0.819277
92	B5V	0.617021	0.860759
93	PR8	0.617021	0.809524
94	DAL AMP	0.615385	0.858974
95	MAP	0.615385	0.897436
96	GAP	0.613636	0.848101
97	LMS	0.6125	0.853659
98	7D4	0.611765	0.858974
99	1ZZ	0.610526	0.8
100	ME8	0.610526	0.821429
101	PTJ	0.610526	0.851852
102	FYA	0.610526	0.858974
103	TXA	0.610526	0.884615
104	DQV	0.61	0.907895
105	PAP	0.609195	0.932432
106	ATR	0.609195	0.918919
107	6V0	0.607843	0.851852
108	NAX	0.607843	0.831325
109	NAI	0.607843	0.8625
110	ADP BMA	0.606383	0.871795
111	A4P	0.605769	0.804598
112	A2R	0.604396	0.933333
113	RAB	0.60274	0.8
114	ADN	0.60274	0.8
115	XYA	0.60274	0.8
116	48N	0.598039	0.851852
117	9SN	0.597938	0.829268
118	139	0.59434	0.831325
119	T5A	0.59434	0.802326
120	TXD	0.592233	0.8625
121	DND	0.592233	0.884615
122	B5Y	0.591837	0.85
123	B5M	0.591837	0.85
124	FA5	0.591837	0.860759
125	9ZD	0.591398	0.8625
126	9ZA	0.591398	0.8625
127	TXE	0.586538	0.8625
128	XAH	0.585859	0.8
129	HFD	0.58427	0.897436
130	JSQ	0.58427	0.897436
131	GA7	0.584158	0.860759
132	AP0	0.580952	0.851852
133	L3W	0.580952	0.884615
134	4UV	0.58	0.85
135	2A5	0.579545	0.871795
136	AOC	0.578313	0.779221
137	COD	0.577982	0.795455
138	A3P	0.576471	0.918919
139	ATP A A A	0.575758	0.881579
140	ATP A	0.575758	0.881579
141	CNA	0.574074	0.884615
142	LAQ	0.572816	0.865854
143	5AS	0.569767	0.804598
144	4UU	0.568627	0.85
145	YLP	0.567308	0.781609
146	4TC	0.566038	0.851852
147	YLB	0.566038	0.781609
148	UPA	0.566038	0.8625
149	5N5	0.565789	0.776316
150	ADJ	0.564815	0.811765
151	7D3	0.564706	0.858974
152	3AM	0.560976	0.88
153	A4D	0.558442	0.8
154	5CD	0.558442	0.763158
155	A2P	0.55814	0.905405
156	NA7	0.556701	0.909091
157	F2R	0.554545	0.823529
158	PPS	0.554348	0.9
159	H1Q	0.550562	0.857143
160	G5A	0.549451	0.804598
161	GSP	0.547368	0.924051
162	4UW	0.54717	0.819277
163	JB6	0.545455	0.910256
164	3AT	0.543478	0.92
165	TYM	0.542056	0.860759
166	MYR AMP	0.54	0.77907
167	80F	0.539823	0.845238
168	AR6 AR6	0.538462	0.87013
169	EP4	0.5375	0.716049
170	YLC	0.537037	0.8
171	7D5	0.536585	0.833333
172	NAD	0.535714	0.883117
173	DTA	0.530864	0.792208
174	M2T	0.530864	0.719512
175	2AM	0.53012	0.893333
176	3DH	0.53012	0.75641
177	AHZ	0.528302	0.821429
178	IOT	0.527273	0.793103
179	DTP	0.526882	0.858974
180	A3D	0.526316	0.871795
181	SSA	0.526316	0.825581
182	MTA	0.52439	0.75641
183	ARG AMP	0.52381	0.790698
184	YLA	0.522523	0.781609
185	BTX	0.522124	0.845238
186	6AD	0.521277	0.911392
187	AMP DBH	0.519231	0.848101
188	TAD	0.518868	0.8875
189	AYB	0.517857	0.772727
190	BT5	0.517544	0.835294
191	A5A	0.515789	0.833333
192	TSB	0.515464	0.845238
193	OVE	0.511628	0.933333
194	6RE	0.511628	0.722892
195	7DT	0.51087	0.932432
196	V3L	0.510638	0.92
197	AVV	0.510204	0.851852
198	7MD	0.509434	0.821429
199	LPA AMP	0.509259	0.843373
200	0WD	0.508772	0.875
201	NAE	0.508475	0.85
202	VMS	0.505155	0.813953
203	54H	0.505155	0.813953
204	NO7	0.505155	0.884615
205	52H	0.505155	0.804598
206	NSS	0.50505	0.825581
207	NAQ	0.504202	0.829268
208	EAD	0.504132	0.831325
209	FB0	0.504	0.769231
210	53H	0.5	0.804598
211	ALF ADP 3PG	0.5	0.797619
212	ZID	0.5	0.871795
213	CUU	0.5	0.92
214	IMO	0.5	0.88
215	J7C	0.5	0.731707
216	ZAS	0.5	0.728395
217	38V	0.5	0.843373
218	8X1	0.5	0.777778
219	AV2	0.5	0.87013
220	AF3 ADP 3PG	0.5	0.797619
221	RGT	0.5	0.909091
222	NJP	0.5	0.897436
223	NVA LMS	0.5	0.777778
224	M24	0.5	0.809524
225	5CA	0.5	0.825581
226	ARU	0.5	0.819277
227	A3N	0.5	0.746835
228	D4F	0.495798	0.843373
229	NPW	0.495575	0.843373
230	NDP	0.495575	0.875
231	NAD TDB	0.495495	0.87013
232	NAD IBO	0.495495	0.87013
233	LEU LMS	0.49505	0.736264
234	DDS	0.494737	0.833333
235	S4M	0.494382	0.655556
236	6MZ	0.494382	0.881579
237	6FA	0.492188	0.802326
238	DZD	0.491379	0.841463
239	NZQ	0.491228	0.864198
240	P5A	0.490196	0.769231
241	LSS	0.49	0.786517
242	DSZ	0.49	0.825581
243	MAO	0.488889	0.724138
244	DSH	0.488636	0.710843
245	P1H	0.488	0.811765
246	N0B	0.487603	0.781609
247	YLY	0.487395	0.772727
248	ODP	0.486957	0.864198
249	8PZ	0.485714	0.825581
250	9K8	0.485437	0.758242
251	FAS	0.484615	0.811765
252	FAD	0.484615	0.811765
253	SFD	0.484615	0.776596
254	FDA	0.484375	0.795455
255	O02	0.484211	0.875
256	DAT	0.483871	0.858974
257	5X8	0.483871	0.746835
258	NAJ PZO	0.483051	0.807229
259	7MC	0.482143	0.802326
260	NWW	0.481481	0.72
261	62F	0.481203	0.821429
262	LQJ	0.481132	0.87013
263	PO4 PO4 A A A A PO4	0.480392	0.855263
264	7DD	0.478261	0.932432
265	TXP	0.478261	0.875
266	GJV	0.477778	0.714286
267	NDE	0.47619	0.884615
268	KAA	0.475728	0.777778
269	GSU	0.475728	0.804598
270	5AD	0.474359	0.706667
271	A3G	0.47191	0.759494
272	K3K	0.471698	0.7625
273	XNP	0.470085	0.831325
274	AMP NAD	0.470085	0.858974
275	4TA	0.470085	0.770115
276	GP3	0.46875	0.875
277	NDC	0.46875	0.829268
278	6C6	0.46875	0.8375
279	7D7	0.468354	0.705128
280	SFG	0.468085	0.7125
281	YSA	0.46729	0.804598
282	NAJ PYZ	0.467213	0.770115
283	FAY	0.466667	0.821429
284	DCA	0.466667	0.786517
285	ETB	0.466667	0.795455
286	128	0.464286	0.741573
287	RFL	0.463235	0.784091
288	PUA	0.46281	0.841463
289	A7D	0.462366	0.759494
290	FNK	0.459259	0.769231
291	0T1	0.459016	0.786517
292	COA	0.459016	0.806818
293	7C5	0.458716	0.777778
294	A5D	0.458333	0.792208
295	SA8	0.458333	0.674419
296	MHZ	0.457447	0.666667
297	71V	0.456522	0.910256
298	8Q2	0.45614	0.797753
299	NEC	0.455556	0.708861
300	GGZ	0.455446	0.851852
301	B1U	0.453704	0.76087
302	SAH	0.453608	0.728395
303	SAI	0.453608	0.698795
304	Y3J	0.451219	0.688312
305	GEK	0.45098	0.722892
306	AS	0.450549	0.884615
307	4YB	0.45045	0.786517
308	SMM	0.45	0.674157
309	GTP	0.45	0.873418
310	V47	0.45	0.74359
311	K3E	0.449541	0.753086
312	6IA	0.44898	0.797619
313	SAM	0.44898	0.678161
314	AMX	0.448	0.795455
315	COS	0.448	0.808989
316	CAO	0.448	0.8
317	30N	0.448	0.776596
318	TAP	0.448	0.935065
319	J4G	0.447619	0.873418
320	SCO	0.444444	0.786517
321	AAT	0.444444	0.714286
322	CMX	0.444444	0.786517
323	EEM	0.444444	0.659091
324	P5F	0.443662	0.786517
325	KOY	0.442478	0.7625
326	PGS	0.442105	0.910256
327	FCX	0.440945	0.76087
328	ACO	0.440945	0.8
329	FAM	0.440945	0.769231
330	2SA	0.44	0.884615
331	HDV	0.44	0.848101
332	NAP	0.44	0.896104
333	9JJ	0.439716	0.821429
334	APU	0.439655	0.85
335	D5M	0.43956	0.833333
336	DA	0.43956	0.833333
337	HAX	0.4375	0.769231
338	QXP	0.436893	0.811765
339	Z5A	0.436508	0.744444
340	DG1	0.436508	0.875
341	1DG	0.436508	0.875
342	V1N	0.436364	0.87013
343	S7M	0.435644	0.678161
344	2MC	0.435115	0.774194
345	649	0.434783	0.769231
346	WSA	0.434783	0.813953
347	AAM	0.434783	0.918919
348	CZF	0.434343	0.883117
349	3KK	0.434109	0.808989
350	FYN	0.434109	0.806818
351	NMN AMP PO4	0.433333	0.82716
352	7L1	0.433071	0.8
353	NA0	0.433071	0.884615
354	C2R	0.431818	0.857143
355	AMZ	0.431818	0.868421
356	A3S	0.431579	0.769231
357	SOP	0.430769	0.788889
358	CA6	0.430769	0.752577
359	YZS	0.430769	0.770833
360	MCD	0.430769	0.769231
361	KGP	0.430769	0.770833
362	OXK	0.430769	0.808989
363	COK	0.430769	0.808989
364	QBQ	0.43	0.860759
365	GNH	0.43	0.8625
366	62X	0.428571	0.637363
367	101	0.428571	0.833333
368	N6P	0.428571	0.866667
369	NVA 2AD	0.428571	0.722892
370	F2N	0.427586	0.777778
371	CO6	0.427481	0.808989
372	CMC	0.427481	0.788889
373	NMX	0.427481	0.729167
374	1VU	0.427481	0.8
375	GKE	0.427273	0.841463
376	GDC	0.427273	0.841463
377	K2W	0.427273	0.705882
378	GDD	0.427273	0.841463
379	NWQ	0.426966	0.701299
380	SCA	0.425373	0.808989
381	9BG	0.425	0.851852
382	FA9	0.424658	0.823529
383	A6D	0.424528	0.729412
384	QXG	0.424528	0.802326
385	K15	0.424528	0.651685
386	CAJ	0.424242	0.769231
387	SCD	0.424242	0.786517
388	N5O	0.423913	0.725
389	AIR	0.423529	0.853333
390	6K6	0.423077	0.881579
391	A3T	0.42268	0.779221
392	NIA	0.422222	0.783133
393	KGA	0.422222	0.714286
394	K38	0.422018	0.740741
395	NHD	0.421488	0.858974
396	KGJ	0.421053	0.721649
397	3HC	0.421053	0.818182
398	IVC	0.421053	0.818182
399	MLC	0.421053	0.808989
400	BCO	0.421053	0.808989
401	1HE	0.421053	0.791209
402	A1S	0.421053	0.788889
403	12D	0.421053	0.75
404	R2V	0.420561	0.811765
405	1CZ	0.42029	0.820225
406	GDP	0.42	0.873418
407	0UM	0.419048	0.666667
408	FAJ	0.418919	0.793103
409	CAA	0.41791	0.818182
410	COO	0.41791	0.808989
411	MCA	0.41791	0.8
412	LCV	0.41791	0.762887
413	YE1	0.41791	0.777778
414	SO5	0.41791	0.762887
415	GCP	0.417476	0.851852
416	G1R	0.417476	0.8625
417	OZP	0.417391	0.694118
418	NAD CJ3	0.417266	0.837209
419	SXZ	0.416667	0.697674
420	O05	0.416667	0.804598
421	K2H	0.415094	0.719512
422	N5A	0.414894	0.7
423	YXS	0.414815	0.770833
424	MC4	0.414815	0.765957
425	YXR	0.414815	0.770833
426	2CP	0.414815	0.78022
427	K3H	0.414414	0.714286
428	ZDA	0.414141	0.820513
429	KY2	0.413462	0.697674
430	NAD BBN	0.413043	0.802326
431	KB1	0.412844	0.666667
432	COW	0.411765	0.8
433	KFV	0.411765	0.742268
434	IRC	0.411765	0.818182
435	1GZ	0.411765	0.8
436	HGG	0.411765	0.808989
437	MGP	0.411765	0.841463
438	BYC	0.411765	0.808989
439	3AD	0.411765	0.763158
440	3CP	0.411765	0.788889
441	2KQ	0.411765	0.791209
442	CA8	0.411765	0.770833
443	COF	0.411765	0.771739
444	N01	0.41129	0.858974
445	PLP AAD	0.41129	0.73913
446	S8M	0.409524	0.743902
447	COA FLC	0.409449	0.775281
448	FAQ	0.408759	0.808989
449	BCA	0.408759	0.8
450	4CA	0.408759	0.78022
451	7RP	0.408602	0.878378
452	2VA	0.408163	0.759494
453	6G0	0.407767	0.841463
454	CO7	0.407407	0.808989
455	K2K	0.407407	0.702381
456	26A	0.406977	0.725
457	Q34	0.40678	0.644444
458	QQX	0.406593	0.857143
459	GRA	0.405797	0.808989
460	HXC	0.405797	0.791209
461	KYB	0.40566	0.697674
462	KL2	0.404494	0.794872
463	7RA	0.404255	0.906667
464	FAI	0.404255	0.868421
465	GPG	0.40367	0.864198
466	K2R	0.40367	0.835443
467	TGC	0.402878	0.8
468	SP1	0.402174	0.894737
469	QQY	0.402174	0.844156
470	RP1	0.402174	0.894737
471	ACK	0.402174	0.815789
472	DZ4	0.401961	0.8375
473	KYE	0.401786	0.681818
474	APC G U	0.401575	0.795181
475	8BR	0.4	0.860759
476	KY5	0.4	0.690476
477	9GM	0.4	0.851852
478	GNP	0.4	0.851852
479	SLU	0.4	0.816092
480	KXW	0.4	0.674419
481	S0N	0.4	0.769231
482	CO8	0.4	0.791209
483	CIC	0.4	0.788889
484	2NE	0.4	0.791209
485	TM1	0.4	0.738636
486	EO7	0.4	0.813953

Ligand no: 2; Ligand: AMP; Similar ligands found: 456

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	AMP	1	1
2	A	1	1
3	45A	0.833333	0.943662
4	ABM	0.833333	0.943662
5	A2D	0.833333	0.943662
6	AMP MG	0.830769	0.956522
7	ADP	0.823529	0.971429
8	BA3	0.808824	0.943662
9	AP2	0.808824	0.931507
10	A12	0.808824	0.931507
11	SRA	0.80303	0.944444
12	AP5	0.797101	0.943662
13	B4P	0.797101	0.943662
14	HEJ	0.788732	0.971429
15	ATP	0.788732	0.971429
16	AN2	0.785714	0.957747
17	AT4	0.785714	0.931507
18	APC	0.777778	0.931507
19	5FA	0.777778	0.971429
20	AQP	0.777778	0.971429
21	AU1	0.774648	0.944444
22	CA0	0.774648	0.917808
23	ADX	0.774648	0.848101
24	M33	0.774648	0.930556
25	KG4	0.763889	0.917808
26	ACP	0.763889	0.944444
27	50T	0.763889	0.957747
28	ADP BEF	0.760563	0.942857
29	ADP MG	0.760563	0.942857
30	25A	0.75641	0.971429
31	APR	0.753425	0.943662
32	AR6	0.753425	0.943662
33	PRX	0.753425	0.917808
34	TAT	0.746667	0.931507
35	T99	0.746667	0.931507
36	ACQ	0.746667	0.944444
37	AGS	0.743243	0.918919
38	RBY	0.743243	0.905405
39	ADV	0.743243	0.905405
40	AD9	0.743243	0.944444
41	ANP	0.723684	0.944444
42	APC MG	0.72	0.916667
43	ATP MG	0.72	0.942857
44	ADP PO3	0.72	0.942857
45	6YZ	0.717949	0.944444
46	5AL	0.714286	0.930556
47	V2G	0.714286	0.894737
48	8LE	0.714286	0.893333
49	SON	0.712329	0.931507
50	BEF ADP	0.710526	0.916667
51	LMS	0.710145	0.825
52	ADN	0.709677	0.842857
53	RAB	0.709677	0.842857
54	XYA	0.709677	0.842857
55	HQG	0.708861	0.957747
56	ATF	0.705128	0.931507
57	GAP	0.701299	0.891892
58	A22	0.7	0.957747
59	8LH	0.696203	0.905405
60	SRP	0.696203	0.905405
61	7D5	0.691176	0.902778
62	A2P	0.684932	0.956522
63	A3P	0.684932	0.971014
64	ALF ADP	0.683544	0.868421
65	ANP MG	0.683544	0.930556
66	VO4 ADP	0.683544	0.944444
67	ADQ	0.682927	0.917808
68	MAP	0.679012	0.918919
69	QA7	0.679012	0.893333
70	8LQ	0.679012	0.905405
71	5SV	0.670732	0.87013
72	OZV	0.670732	0.943662
73	9ZA	0.670732	0.906667
74	9ZD	0.670732	0.906667
75	OOB	0.670732	0.930556
76	8QN	0.670732	0.930556
77	PTJ	0.670588	0.894737
78	AOC	0.666667	0.84507
79	A1R	0.662651	0.881579
80	A3R	0.662651	0.881579
81	AMO	0.662651	0.905405
82	PAJ	0.662651	0.858974
83	4AD	0.662651	0.893333
84	5N5	0.661538	0.816901
85	DAL AMP	0.658537	0.90411
86	IMO	0.657534	0.928571
87	DLL	0.654762	0.930556
88	00A	0.654762	0.881579
89	AHX	0.654762	0.87013
90	JNT	0.654762	0.917808
91	5AS	0.653333	0.776471
92	A4D	0.651515	0.816901
93	5CD	0.651515	0.828571
94	6MZ	0.648649	0.957143
95	ADP BMA	0.647059	0.891892
96	3UK	0.647059	0.917808
97	OAD	0.647059	0.917808
98	9X8	0.647059	0.893333
99	25L	0.643678	0.957747
100	PR8	0.639535	0.848101
101	WAQ	0.639535	0.881579
102	LAD	0.639535	0.858974
103	B5V	0.639535	0.905405
104	DTA	0.637681	0.808219
105	V3L	0.6375	0.971429
106	3DH	0.633803	0.794521
107	3OD	0.632184	0.917808
108	FYA	0.632184	0.930556
109	BIS	0.632184	0.906667
110	TXA	0.632184	0.905405
111	1ZZ	0.632184	0.8375
112	ME8	0.632184	0.8375
113	NB8	0.632184	0.87013
114	MTA	0.628571	0.794521
115	3AM	0.625	0.956522
116	EP4	0.623188	0.773333
117	9SN	0.617977	0.87013
118	M2T	0.614286	0.753247
119	JB6	0.613636	0.881579
120	KMQ	0.611111	0.905405
121	FA5	0.611111	0.905405
122	B5Y	0.611111	0.893333
123	B5M	0.611111	0.893333
124	H1Q	0.607595	0.929577
125	MYR AMP	0.606742	0.814815
126	G5A	0.604938	0.776471
127	XAH	0.604396	0.8375
128	4UV	0.597826	0.893333
129	71V	0.597403	0.906667
130	ATP A	0.593407	0.929577
131	ATP A A A	0.593407	0.929577
132	PAP	0.592593	0.957143
133	G3A	0.591398	0.894737
134	2AM	0.589041	0.942857
135	5X8	0.5875	0.783784
136	6RE	0.586667	0.779221
137	6C6	0.585366	0.905405
138	G5P	0.585106	0.894737
139	AFH	0.585106	0.858974
140	4UU	0.585106	0.893333
141	GA7	0.585106	0.905405
142	7D3	0.584416	0.878378
143	A5A	0.583333	0.804878
144	TSB	0.581395	0.795181
145	AMP DBH	0.580645	0.891892
146	2A5	0.580247	0.891892
147	TAD	0.578947	0.858974
148	GTA	0.578947	0.860759
149	DQV	0.578947	0.930556
150	DSH	0.578947	0.74359
151	6IA	0.578313	0.858974
152	SSA	0.576471	0.776471
153	AMZ	0.575342	0.888889
154	C2R	0.575342	0.876712
155	7D4	0.575	0.878378
156	PGS	0.575	0.857143
157	ZAS	0.573333	0.786667
158	ATR	0.573171	0.942857
159	LAQ	0.572917	0.8375
160	AAM	0.571429	1
161	PPS	0.571429	0.848101
162	A3N	0.571429	0.783784
163	J7C	0.571429	0.789474
164	AIR	0.571429	0.927536
165	52H	0.569767	0.776471
166	54H	0.569767	0.785714
167	VMS	0.569767	0.785714
168	7MD	0.568421	0.8375
169	ARG AMP	0.568421	0.82716
170	AR6 AR6	0.568421	0.916667
171	YLP	0.56701	0.817073
172	48N	0.56701	0.87013
173	OVE	0.565789	0.90411
174	UPA	0.565657	0.881579
175	2SA	0.564706	0.905405
176	S4M	0.564103	0.682353
177	5CA	0.563218	0.776471
178	53H	0.563218	0.776471
179	8X1	0.563218	0.75
180	6V0	0.561224	0.87013
181	NAX	0.561224	0.848101
182	4UW	0.561224	0.858974
183	TXD	0.561224	0.881579
184	UP5	0.561224	0.893333
185	NAI	0.561224	0.881579
186	DND	0.561224	0.905405
187	NIA	0.56	0.820513
188	D5M	0.558442	0.902778
189	DA	0.558442	0.902778
190	NWW	0.557143	0.757143
191	MAO	0.556962	0.777778
192	AHZ	0.556701	0.814815
193	TXE	0.555556	0.881579
194	TYM	0.555556	0.905405
195	ITT	0.555556	0.915493
196	OMR	0.555556	0.82716
197	5AD	0.552239	0.768116
198	A2R	0.551724	0.957747
199	LPA AMP	0.55102	0.814815
200	DSZ	0.550562	0.776471
201	NSS	0.550562	0.776471
202	LSS	0.550562	0.758621
203	YLC	0.55	0.8375
204	L3W	0.55	0.905405
205	YLB	0.55	0.817073
206	AP0	0.55	0.87013
207	4TC	0.55	0.87013
208	P5A	0.549451	0.741573
209	J4G	0.549451	0.918919
210	139	0.54902	0.848101
211	O02	0.547619	0.894737
212	A4P	0.544554	0.819277
213	NVA LMS	0.544444	0.75
214	GJV	0.544304	0.769231
215	7D7	0.544118	0.763889
216	9K8	0.543478	0.711111
217	A7D	0.54321	0.797297
218	AF3 ADP 3PG	0.54	0.835443
219	ALF ADP 3PG	0.54	0.835443
220	6K6	0.539326	0.957143
221	IOT	0.539216	0.829268
222	LEU LMS	0.538462	0.747126
223	A3G	0.538462	0.797297
224	A5D	0.535714	0.808219
225	NAD IBO	0.534653	0.916667
226	7MC	0.534653	0.817073
227	NAD TDB	0.534653	0.916667
228	YLA	0.533981	0.817073
229	T5A	0.533981	0.817073
230	ADJ	0.533981	0.82716
231	GSU	0.532609	0.776471
232	KAA	0.532609	0.75
233	7RA	0.531646	0.985507
234	SFG	0.53012	0.77027
235	SAH	0.529412	0.763158
236	HFD	0.529412	0.918919
237	JSQ	0.529412	0.918919
238	AYB	0.528846	0.807229
239	CNA	0.528846	0.905405
240	N6P	0.527473	0.942029
241	8BR	0.525	0.931507
242	F2R	0.52381	0.839506
243	80F	0.523364	0.817073
244	Y3J	0.521127	0.746479
245	YSA	0.520833	0.776471
246	7RP	0.518987	0.955882
247	NAD	0.518868	0.930556
248	BTX	0.518868	0.839506
249	COD	0.518868	0.788235
250	MHZ	0.518072	0.714286
251	SA8	0.517647	0.725
252	6AD	0.517241	0.883117
253	BT5	0.514019	0.829268
254	DZD	0.514019	0.858974
255	RMB	0.5125	0.898551
256	CUU	0.511905	0.943662
257	SAI	0.511628	0.753247
258	AV2	0.511364	0.890411
259	K2R	0.510638	0.878378
260	8PZ	0.510417	0.776471
261	K3K	0.510417	0.8
262	A3D	0.509259	0.917808
263	A3S	0.506024	0.808219
264	3AT	0.505747	0.943662
265	SAM	0.505747	0.707317
266	SMM	0.505618	0.702381
267	NA7	0.505376	0.931507
268	B1U	0.505155	0.733333
269	AMP NAD	0.504673	0.90411
270	4TA	0.504673	0.804878
271	5GP	0.5	0.905405
272	EEM	0.5	0.707317
273	NEC	0.5	0.743243
274	NO7	0.5	0.905405
275	G	0.5	0.905405
276	AAT	0.5	0.725
277	YLY	0.495495	0.807229
278	M24	0.495495	0.848101
279	7C5	0.494949	0.815789
280	A3T	0.494118	0.819444
281	DAT	0.494118	0.878378
282	FAI	0.493827	0.888889
283	P2P	0.493827	0.928571
284	1RB	0.493671	0.911765
285	NAE	0.491071	0.893333
286	D4F	0.491071	0.8375
287	NAJ PZO	0.490909	0.846154
288	KOY	0.490196	0.8
289	LQJ	0.489796	0.916667
290	TM1	0.489583	0.771084
291	PO4 PO4 A A A A PO4	0.489362	0.901408
292	A6D	0.489362	0.740741
293	QXP	0.48913	0.761905
294	V47	0.488889	0.780822
295	S7M	0.488889	0.707317
296	DTP	0.488636	0.878378
297	RBZ	0.4875	0.873239
298	101	0.4875	0.902778
299	NWQ	0.487179	0.736111
300	EAD	0.486957	0.848101
301	NAQ	0.486726	0.87013
302	4YB	0.485149	0.758621
303	K3E	0.484848	0.789474
304	NDE	0.483051	0.931507
305	38V	0.482456	0.860759
306	N0B	0.482456	0.817073
307	ZID	0.482456	0.917808
308	N5O	0.481481	0.76
309	WSA	0.480769	0.785714
310	KL2	0.480519	0.861111
311	RGT	0.479592	0.931507
312	ARU	0.478723	0.835443
313	GGZ	0.478261	0.8
314	JLN	0.47561	0.863014
315	ANZ	0.475248	0.820513
316	QQY	0.475	0.837838
317	ACK	0.475	0.885714
318	QXG	0.473684	0.752941
319	NAJ PYZ	0.473684	0.804878
320	S8M	0.473118	0.779221
321	AVV	0.473118	0.87013
322	GEK	0.473118	0.734177
323	3AD	0.472973	0.828571
324	P1H	0.470588	0.82716
325	N5A	0.46988	0.733333
326	R2V	0.46875	0.761905
327	0UM	0.468085	0.716049
328	RVP	0.467532	0.847222
329	649	0.466667	0.741573
330	Z5A	0.465517	0.776471
331	PMO	0.464286	0.873239
332	O05	0.463918	0.819277
333	SXZ	0.463918	0.707317
334	62X	0.463158	0.682353
335	K2H	0.463158	0.753247
336	QQX	0.4625	0.826667
337	KY2	0.462366	0.75
338	8Q2	0.462264	0.75
339	OK8	0.461538	0.853333
340	K2W	0.46	0.7375
341	2VA	0.45977	0.797297
342	IMP	0.458824	0.90411
343	CC5	0.458333	0.84058
344	K15	0.458333	0.698795
345	AS	0.457831	0.855263
346	DDS	0.455556	0.851351
347	V1N	0.455446	0.943662
348	NJP	0.454545	0.918919
349	K38	0.454545	0.776316
350	K2K	0.453608	0.734177
351	7DD	0.453488	0.957143
352	G7M	0.453488	0.87013
353	93A	0.453488	0.804878
354	3D1	0.453333	0.77027
355	3L1	0.453333	0.77027
356	KYB	0.452632	0.75
357	EO7	0.452381	0.785714
358	NDC	0.45082	0.87013
359	FB0	0.45082	0.781609
360	DZ4	0.450549	0.855263
361	0WD	0.45045	0.894737
362	NVA 2AD	0.449438	0.75641
363	26A	0.447368	0.76
364	2FA	0.447368	0.810811
365	2BA	0.447059	0.914286
366	CMP	0.447059	0.927536
367	D3Y	0.446809	0.786667
368	K3H	0.445545	0.746835
369	VRT	0.444444	0.766234
370	APU	0.444444	0.893333
371	KB1	0.444444	0.716049
372	KY5	0.444444	0.74359
373	SO8	0.444444	0.786667
374	FDA	0.443548	0.809524
375	PUA	0.443478	0.858974
376	ODP	0.441441	0.883117
377	6FA	0.44	0.817073
378	NX8	0.43956	0.7125
379	RP1	0.439024	0.864865
380	SP1	0.439024	0.864865
381	103	0.439024	0.861111
382	3NZ	0.438776	0.779221
383	KY8	0.438776	0.746835
384	7DT	0.438202	0.957143
385	NDP	0.436364	0.894737
386	NPW	0.436364	0.860759
387	MTP	0.434211	0.727273
388	FAD	0.433071	0.82716
389	SFD	0.433071	0.712766
390	FAS	0.433071	0.82716
391	TXP	0.432432	0.894737
392	IRN	0.432432	0.867647
393	NZQ	0.432432	0.883117
394	ZZB	0.432432	0.792683
395	KYE	0.431373	0.731707
396	62F	0.430769	0.8375
397	FNK	0.430769	0.781609
398	128	0.429907	0.752941
399	9BG	0.428571	0.87013
400	KXW	0.428571	0.725
401	6MD	0.428571	0.805556
402	PAX	0.428571	0.82716
403	1DA	0.428571	0.842857
404	SLU	0.426087	0.767442
405	PLP AAD	0.426087	0.75
406	XNP	0.424779	0.848101
407	HZ2	0.424528	0.728395
408	12D	0.424528	0.761905
409	5F1	0.423077	0.72973
410	DCA	0.422414	0.8
411	ETB	0.422414	0.809524
412	NWZ	0.422222	0.7
413	F0P	0.422018	0.725
414	ERJ	0.421687	0.777778
415	WMP	0.421053	0.864865
416	GUO	0.421053	0.864865
417	OZP	0.420561	0.725
418	U4Y	0.420561	0.734177
419	HY8	0.416667	0.728395
420	FAY	0.416667	0.8375
421	38Y	0.415929	0.804878
422	5J9	0.415842	0.728395
423	NAD BBN	0.415385	0.817073
424	COA	0.415254	0.8
425	0T1	0.415254	0.8
426	KH3	0.415094	0.690476
427	N01	0.413793	0.90411
428	FMP	0.413793	0.871429
429	RFL	0.413534	0.797619
430	NMN AMP PO4	0.412281	0.868421
431	NAD CJ3	0.409091	0.788235
432	Q34	0.409091	0.690476
433	Q2M	0.409091	0.707317
434	GDP	0.408602	0.893333
435	GP2	0.408602	0.858974
436	NAP	0.408333	0.944444
437	NOC	0.407895	0.760563
438	CNV FAD	0.407407	0.770115
439	2ER	0.405941	0.831169
440	1PR	0.405941	0.820513
441	P5F	0.405797	0.8
442	CAO	0.404959	0.772727
443	30N	0.404959	0.731183
444	TAP	0.404959	0.906667
445	COS	0.404959	0.781609
446	AMX	0.404959	0.809524
447	EU9	0.40367	0.681818
448	XMP	0.402299	0.891892
449	G2P	0.402062	0.858974
450	NA0	0.401639	0.931507
451	CMX	0.401639	0.8
452	SCO	0.401639	0.8
453	9JJ	0.40146	0.8375
454	Q2P	0.4	0.690476
455	N37	0.4	0.730769
456	F2N	0.4	0.790698

Ligand no: 3; Ligand: DP6; Similar ligands found: 9

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	DP6	1	1
2	PMV	0.731707	1
3	BHI	0.644444	0.878049
4	FM0	0.58	0.853659
5	P23	0.422222	0.794872
6	1CO	0.422222	0.625
7	IPR	0.416667	0.8
8	0CJ	0.411765	0.85
9	IPE	0.408163	0.785714

Similar Ligands (3D)

Ligand no: 1; Ligand: AGS; Similar ligands found: 27

No:	Ligand	Similarity coefficient
1	ADP ALF	0.9782
2	ADP AF3	0.9674
3	GDP AF3	0.9569
4	ALF GDP	0.9557
5	GDP ALF	0.9520
6	GDP BEF	0.9444
7	DBG	0.9424
8	BEF GDP	0.9401
9	DGT	0.9355
10	UTP	0.9231
11	CTP	0.9211
12	2KH	0.9090
13	DCP	0.9032
14	GH3	0.9015
15	TTP	0.8934
16	GDP MG	0.8916
17	Y9Z	0.8809
18	ALF 5GP	0.8802
19	NYZ	0.8703
20	IDP	0.8674
21	NX8	0.8652
22	D3T	0.8642
23	DGI	0.8617
24	8DG	0.8610
25	GP2	0.8595
26	DUP	0.8579
27	M7G	0.8576

Ligand no: 2; Ligand: AMP; Similar ligands found: 216

No:	Ligand	Similarity coefficient
1	IRP	0.9883
2	DI	0.9755
3	8OP	0.9715
4	IMU	0.9698
5	TKW	0.9696
6	MZP	0.9690
7	PFU	0.9673
8	5FU	0.9664
9	DG	0.9620
10	6MA	0.9618
11	6CG	0.9613
12	U5P	0.9607
13	DGP	0.9601
14	PSU	0.9555
15	C5P	0.9513
16	FDM	0.9499
17	TMP	0.9498
18	5BU	0.9493
19	QBT	0.9492
20	FNU	0.9488
21	8GM	0.9484
22	UFP	0.9484
23	NYM	0.9477
24	5HM	0.9472
25	6OG	0.9471
26	5CM	0.9461
27	16B	0.9451
28	FN5	0.9442
29	NCN	0.9424
30	C	0.9418
31	9L3	0.9417
32	Z8B	0.9410
33	UP6	0.9400
34	NMN	0.9397
35	H2U	0.9395
36	ICR	0.9389
37	BMP	0.9380
38	UMP	0.9373
39	U	0.9368
40	BRU	0.9365
41	CH	0.9364
42	BMQ	0.9360
43	MTH	0.9360
44	8OG	0.9356
45	MTM	0.9347
46	CNU	0.9342
47	MTI	0.9342
48	6SW	0.9342
49	D4M	0.9334
50	2DT	0.9334
51	UMC	0.9304
52	CAR	0.9298
53	5IU	0.9287
54	5HU	0.9283
55	O7E	0.9281
56	DCM	0.9270
57	KB7	0.9270
58	DU	0.9269
59	DC	0.9269
60	NUP	0.9238
61	7CH	0.9219
62	DDN	0.9211
63	MCF	0.9205
64	PCG	0.9201
65	O8M	0.9197
66	DUS	0.9192
67	U6M	0.9180
68	S5P	0.9167
69	DOC	0.9149
70	3F5	0.9146
71	6SX	0.9133
72	U4S	0.9101
73	35G	0.9100
74	N8M	0.9089
75	6CN	0.9083
76	CDP	0.9080
77	T3S	0.9079
78	U1S	0.9071
79	MTE	0.9067
80	U2S	0.9058
81	DBM	0.9053
82	BVP	0.9052
83	4X2	0.9040
84	ATM	0.9025
85	SB8	0.9022
86	INR	0.9008
87	UA2	0.9007
88	A8M	0.9006
89	IMH	0.9006
90	TAL	0.8998
91	SSI	0.8986
92	U3S	0.8983
93	1B6	0.8972
94	3Q1	0.8972
95	TBN	0.8968
96	NOS	0.8966
97	IXF	0.8952
98	AD3	0.8932
99	1BJ	0.8932
100	SU1	0.8927
101	43J	0.8924
102	6SY	0.8920
103	9ZS	0.8918
104	IDP	0.8918
105	6SZ	0.8915
106	JW5	0.8914
107	OMP	0.8905
108	CC7	0.8903
109	T7O	0.8893
110	6AU	0.8887
111	PRH	0.8871
112	HPR	0.8871
113	2GE	0.8871
114	3Q2	0.8869
115	FMC	0.8862
116	ARJ	0.8861
117	9DI	0.8859
118	GNH	0.8855
119	3Q0	0.8849
120	GMP	0.8848
121	FMB	0.8845
122	4EZ	0.8839
123	K8W	0.8831
124	UM3	0.8830
125	MI1	0.8828
126	5ID	0.8815
127	NVV	0.8812
128	HDU	0.8812
129	43G	0.8808
130	UDP	0.8793
131	CFE	0.8793
132	FTU	0.8791
133	HMK	0.8787
134	5FD	0.8778
135	DN8	0.8777
136	72H	0.8776
137	7CU	0.8776
138	2OM	0.8774
139	CZV	0.8771
140	FSB	0.8768
141	HGH	0.8760
142	DOI	0.8756
143	3BH	0.8754
144	XYP TRS XYP	0.8748
145	FGN	0.8746
146	5NB	0.8741
147	LRT	0.8737
148	M7G	0.8735
149	NYZ	0.8731
150	3RA	0.8725
151	MSS	0.8719
152	TXS	0.8712
153	8OD	0.8710
154	S1Z	0.8709
155	4ZK	0.8706
156	L0F	0.8706
157	IYX	0.8702
158	GOW	0.8702
159	EKH	0.8698
160	CQU	0.8694
161	KFS	0.8692
162	0NL	0.8691
163	T3P	0.8690
164	F2B	0.8690
165	4K9	0.8689
166	PWH	0.8686
167	CL9	0.8686
168	GQE	0.8681
169	P1S	0.8676
170	SNI	0.8676
171	9ST	0.8674
172	GAR	0.8673
173	566	0.8671
174	DGI	0.8669
175	9ME	0.8666
176	RVA	0.8664
177	H4H	0.8662
178	SBW	0.8659
179	9W8	0.8653
180	2HW	0.8653
181	BSB	0.8653
182	GNG	0.8644
183	TDI	0.8643
184	MDR	0.8641
185	6HW	0.8634
186	460	0.8634
187	T61	0.8631
188	C1Y	0.8627
189	HLN	0.8624
190	43H	0.8621
191	TYD	0.8615
192	IXE	0.8613
193	66P	0.8609
194	I0D	0.8609
195	MG7	0.8608
196	MHR	0.8608
197	JY5	0.8606
198	4UB	0.8600
199	CC2	0.8599
200	JZJ	0.8598
201	F13	0.8595
202	PDB	0.8588
203	517	0.8585
204	BHF	0.8579
205	IWH	0.8576
206	XYS AZI XYS	0.8571
207	9X0	0.8566
208	KKE	0.8563
209	9RK	0.8559
210	VAL TRP	0.8553
211	4F0	0.8553
212	IYZ	0.8549
213	FKJ	0.8547
214	361	0.8538
215	E44	0.8526
216	E3Y	0.8504

Ligand no: 3; Ligand: DP6; Similar ligands found: 3

No:	Ligand	Similarity coefficient
1	2P0	0.8803
2	BTN	0.8609
3	6KJ	0.8566

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

Pocket No.: 1; Query (leader) PDB : 5GMD; Ligand: AGS; 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: 5gmd.bio1) has 32 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 5GMD; Ligand: AGS; 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: 5gmd.bio1) has 32 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 5GMD; Ligand: AMP; 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: 5gmd.bio1) has 7 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 5GMD; Ligand: AMP; 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: 5gmd.bio1) has 7 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 5GMD; Ligand: DP6; 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: 5gmd.bio1) has 28 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 6; Query (leader) PDB : 5GMD; Ligand: DP6; 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: 5gmd.bio1) has 28 residues
No:	Leader PDB	Ligand	Sequence Similarity

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