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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6RKA	2.5 Å	EC: 2.5.1.6	INTER-DIMERIC INTERFACE CONTROLS FUNCTION AND STABILITY OF S METHIONINE ADENOSYLTRANSFERASE FROM U. UREALITICUM	UREAPLASMA UREALYTICUM SEROVAR 7 STR. 27819	SYNTHETASE TRANSFERASE
Ref.:	THE INTERDIMERIC INTERFACE CONTROLS FUNCTION AND ST OF UREAPLASMA UREALITICUM METHIONINE S-ADENOSYLTRAN J.MOL.BIOL. V. 431 4796 2019

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
PO4	D:402; C:401;	Invalid; Invalid;	none; none;	submit data	94.971	O4 P	[O-]P...
SAM	D:401; B:401;	Valid; Valid;	none; none;	submit data	398.437	C15 H22 N6 O5 S	C[S@@...
ATP	A:401; B:402;	Valid; Valid;	none; none;	submit data	507.181	C10 H16 N5 O13 P3	c1nc(...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6RKA	2.5 Å	EC: 2.5.1.6	INTER-DIMERIC INTERFACE CONTROLS FUNCTION AND STABILITY OF S METHIONINE ADENOSYLTRANSFERASE FROM U. UREALITICUM	UREAPLASMA UREALYTICUM SEROVAR 7 STR. 27819	SYNTHETASE TRANSFERASE
Ref.:	THE INTERDIMERIC INTERFACE CONTROLS FUNCTION AND ST OF UREAPLASMA UREALITICUM METHIONINE S-ADENOSYLTRAN J.MOL.BIOL. V. 431 4796 2019

Members (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 8 families.
1	6RK7	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
2	6RKA	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....

70% Homology Family (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 6 families.
1	6RK7	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
2	6RKA	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....

50% Homology Family (18)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6RK7	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
2	6RKA	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
3	1P7L	-	MET	C5 H11 N O2 S	CSCC[C@@H]....
4	1RG9	-	PPK	H6 N O9 P3	N(P(=O)(O)....
5	5A1G	-	PPK	H6 N O9 P3	N(P(=O)(O)....
6	5A19	-	PPK	H6 N O9 P3	N(P(=O)(O)....
7	6FBP	-	PPK	H6 N O9 P3	N(P(=O)(O)....
8	6G6R	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
9	6FCD	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
10	6P9V	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
11	5A1I	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
12	5UGH	Kd = 170 nM	8AJ	C20 H19 Cl N4	CN(C)CCc1n....
13	6FBO	-	PPK	H6 N O9 P3	N(P(=O)(O)....
14	6VCY	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
15	6VD2	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
16	6VD0	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
17	6VD1	-	PPK	H6 N O9 P3	N(P(=O)(O)....
18	6LTV	-	3PO	H5 O10 P3	OP(=O)(O)O....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: SAM; Similar ligands found: 246

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	SAM	1	1
2	SMM	0.792683	0.96
3	S4M	0.6875	0.909091
4	S7M	0.670455	0.945946
5	M2T	0.636364	0.878378
6	GEK	0.612903	0.931507
7	SAI	0.571429	0.878378
8	ADN	0.565789	0.773333
9	RAB	0.565789	0.773333
10	XYA	0.565789	0.773333
11	5CD	0.564103	0.783784
12	EP4	0.5625	0.826667
13	SA8	0.56044	0.945205
14	SFG	0.555556	0.875
15	5X8	0.555556	0.888889
16	5N5	0.551282	0.773333
17	A4D	0.544304	0.797297
18	EEM	0.542553	0.945946
19	SAH	0.537634	0.916667
20	EU9	0.537037	0.809524
21	DTA	0.536585	0.789474
22	62X	0.535354	0.884615
23	MTA	0.53012	0.875
24	3DH	0.517647	0.849315
25	AMP MG	0.517241	0.7375
26	5AL	0.510417	0.743902
27	VMS	0.510204	0.673913
28	54H	0.510204	0.673913
29	0UM	0.51	0.857143
30	NWW	0.506173	0.739726
31	LMS	0.505747	0.666667
32	AMP	0.505747	0.707317
33	A	0.505747	0.707317
34	45A	0.505618	0.753086
35	ABM	0.505618	0.753086
36	A5A	0.505155	0.688889
37	SSA	0.5	0.684783
38	5AD	0.5	0.75
39	SON	0.5	0.746988
40	6RE	0.5	0.78481
41	SRP	0.5	0.746988
42	K15	0.5	0.883117
43	LSS	0.49505	0.706522
44	CA0	0.494624	0.714286
45	AP2	0.494505	0.705882
46	A12	0.494505	0.705882
47	ME8	0.490385	0.841463
48	TSB	0.49	0.681319
49	5CA	0.49	0.684783
50	DAL AMP	0.49	0.765432
51	53H	0.49	0.666667
52	ACP	0.489362	0.694118
53	KG4	0.489362	0.714286
54	ADP	0.48913	0.690476
55	5AS	0.48913	0.648936
56	J7C	0.488889	0.772152
57	A2D	0.488889	0.690476
58	ZAS	0.488636	0.769231
59	8QN	0.485149	0.743902
60	9ZD	0.485149	0.729412
61	9ZA	0.485149	0.729412
62	8LH	0.484848	0.746988
63	GAP	0.484536	0.73494
64	AN2	0.483871	0.682353
65	A3S	0.483871	0.813333
66	ADP BEF	0.483871	0.728395
67	ADP MG	0.483871	0.728395
68	A7D	0.483871	0.851351
69	GJV	0.483516	0.775
70	SRA	0.483146	0.694118
71	GSU	0.480769	0.722222
72	KAA	0.480769	0.698925
73	LAD	0.480769	0.752941
74	DSZ	0.480392	0.703297
75	AMO	0.480392	0.746988
76	52H	0.48	0.666667
77	8LE	0.479592	0.717647
78	APC MG	0.479167	0.731707
79	M33	0.478723	0.722892
80	BA3	0.478261	0.690476
81	MAO	0.478261	0.82716
82	AOC	0.477778	0.776316
83	NEC	0.477778	0.75
84	DSH	0.477778	0.842105
85	SXZ	0.47619	0.894737
86	NVA LMS	0.475728	0.736264
87	AHX	0.475728	0.701149
88	Y3J	0.47561	0.706667
89	8LQ	0.475248	0.768293
90	QA7	0.475248	0.738095
91	G5A	0.474227	0.684783
92	A3T	0.473684	0.8
93	B4P	0.473118	0.690476
94	AP5	0.473118	0.690476
95	A3N	0.472527	0.766234
96	KB1	0.471698	0.833333
97	LEU LMS	0.471154	0.752809
98	PRX	0.46875	0.73494
99	APC	0.46875	0.705882
100	AT4	0.468085	0.686047
101	4AD	0.466019	0.759036
102	PAJ	0.466019	0.712644
103	NWQ	0.465909	0.767123
104	V2G	0.464646	0.701149
105	ATP MG	0.463918	0.728395
106	ADP PO3	0.463918	0.728395
107	ADV	0.463918	0.72619
108	RBY	0.463918	0.72619
109	ADX	0.463158	0.666667
110	MHZ	0.463158	0.82716
111	AU1	0.463158	0.674419
112	NB8	0.462264	0.72093
113	TXA	0.462264	0.72619
114	A3G	0.461538	0.802632
115	ANP MG	0.46	0.702381
116	VO4 ADP	0.46	0.694118
117	BEF ADP	0.459184	0.710843
118	VRT	0.459184	0.842105
119	XAH	0.458716	0.715909
120	KYE	0.458716	0.802469
121	YSA	0.458716	0.684783
122	50T	0.458333	0.682353
123	ATP	0.458333	0.690476
124	H1Q	0.458333	0.719512
125	HEJ	0.458333	0.690476
126	7D7	0.45679	0.723684
127	V47	0.455446	0.810811
128	KH3	0.455357	0.871795
129	ACQ	0.454545	0.694118
130	AR6	0.453608	0.710843
131	APR	0.453608	0.710843
132	5FA	0.453608	0.690476
133	AQP	0.453608	0.690476
134	NSS	0.451923	0.703297
135	FA5	0.449541	0.746988
136	AGS	0.44898	0.678161
137	A5D	0.44898	0.789474
138	AD9	0.44898	0.674419
139	PTJ	0.448598	0.72093
140	YLB	0.448276	0.758621
141	YLP	0.447368	0.738636
142	OZP	0.447368	0.844156
143	8X1	0.446602	0.680851
144	D3Y	0.446602	0.792208
145	N5O	0.445652	0.789474
146	ALF ADP	0.445545	0.678161
147	3AM	0.444444	0.674699
148	MYR AMP	0.444444	0.776471
149	HY8	0.443478	0.822785
150	OAD	0.443396	0.73494
151	2VA	0.443299	0.779221
152	KXW	0.442478	0.844156
153	QXP	0.442308	0.67033
154	S8M	0.442308	0.831169
155	OOB	0.442308	0.722892
156	6YZ	0.441176	0.694118
157	T99	0.44	0.686047
158	ANP	0.44	0.674419
159	TAT	0.44	0.686047
160	N37	0.439655	0.828947
161	WAQ	0.439252	0.75
162	HZ2	0.438596	0.822785
163	8PZ	0.436364	0.684783
164	B5Y	0.436364	0.717647
165	N5A	0.43617	0.786667
166	F0P	0.435897	0.844156
167	YLC	0.435897	0.755814
168	AAT	0.435644	0.797468
169	1ZZ	0.435185	0.755814
170	3OD	0.435185	0.73494
171	9K8	0.435185	0.663158
172	NVA 2AD	0.434343	0.855263
173	00A	0.433962	0.689655
174	DLL	0.433962	0.722892
175	7MD	0.433628	0.715909
176	ARG AMP	0.433628	0.727273
177	ATF	0.431373	0.666667
178	SO8	0.43	0.792208
179	A6D	0.429907	0.72619
180	QXG	0.429907	0.663043
181	9X8	0.429907	0.717647
182	3UK	0.429907	0.714286
183	F2R	0.429752	0.7
184	OZV	0.428571	0.690476
185	AMP DBH	0.428571	0.714286
186	5SV	0.428571	0.741176
187	TYM	0.42735	0.746988
188	WSA	0.42735	0.692308
189	9SN	0.427273	0.681818
190	AHZ	0.426087	0.755814
191	PR8	0.425926	0.744186
192	B5V	0.425926	0.705882
193	J4G	0.425926	0.759036
194	3NZ	0.425926	0.807692
195	P5A	0.425926	0.691489
196	R2V	0.425926	0.67033
197	A1R	0.424528	0.709302
198	2A5	0.424242	0.674419
199	Q34	0.423729	0.802469
200	7MC	0.423729	0.719101
201	Q2M	0.423729	0.846154
202	B5M	0.423423	0.717647
203	HQG	0.423077	0.702381
204	U4Y	0.422414	0.88
205	7D5	0.422222	0.658824
206	JB6	0.422018	0.709302
207	FYA	0.422018	0.722892
208	AYB	0.421488	0.75
209	JNT	0.420561	0.694118
210	K2H	0.420561	0.805195
211	B1U	0.419643	0.632653
212	MAP	0.419048	0.659091
213	KY2	0.419048	0.777778
214	A22	0.419048	0.682353
215	2AM	0.417582	0.666667
216	TAD	0.417391	0.712644
217	ADP BMA	0.416667	0.714286
218	A3P	0.416667	0.686747
219	25A	0.415094	0.690476
220	Q2V	0.413223	0.833333
221	YLA	0.413223	0.719101
222	K2K	0.412844	0.807692
223	8Q2	0.411765	0.663158
224	KYB	0.411215	0.777778
225	A3R	0.411215	0.709302
226	ADQ	0.411215	0.694118
227	KMQ	0.410714	0.72619
228	48N	0.410256	0.72093
229	0XU	0.41	0.824324
230	GA7	0.408696	0.72619
231	K3H	0.40708	0.775
232	7D3	0.40625	0.643678
233	PAP	0.405941	0.678571
234	DQV	0.405172	0.702381
235	OVE	0.404255	0.662791
236	4UV	0.403509	0.697674
237	ALF ADP 3PG	0.403361	0.712644
238	AF3 ADP 3PG	0.403361	0.712644
239	Q2P	0.403226	0.802469
240	3AD	0.402299	0.783784
241	2BA	0.402062	0.682927
242	CMP	0.402062	0.691358
243	K38	0.401786	0.7375
244	NAD TDB	0.4	0.731707
245	7C5	0.4	0.731707
246	NAD IBO	0.4	0.731707

Ligand no: 2; 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

Similar Ligands (3D)

Ligand no: 1; Ligand: SAM; Similar ligands found: 26

No:	Ligand	Similarity coefficient
1	TT8	0.9650
2	GDP	0.9145
3	8OD	0.9006
4	NWZ	0.8954
5	IDP	0.8910
6	CUU	0.8833
7	GNH	0.8826
8	KB7	0.8802
9	DTP	0.8779
10	GDP MG	0.8767
11	M7G	0.8755
12	G8D	0.8722
13	DZ4	0.8710
14	GTP	0.8703
15	DAT	0.8676
16	DGT	0.8665
17	GNP	0.8658
18	AV2	0.8650
19	HF7	0.8632
20	DGI	0.8627
21	HDV	0.8586
22	GCP	0.8586
23	TTP	0.8585
24	FZT	0.8567
25	GSP	0.8566
26	CTP	0.8538

Ligand no: 2; 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

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

Pocket No.: 1; Query (leader) PDB : 6RKA; Ligand: ATP; 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: 6rka.bio1) has 31 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 6RKA; Ligand: SAM; 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: 6rka.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 6RKA; Ligand: ATP; 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: 6rka.bio1) has 29 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 6RKA; Ligand: SAM; 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: 6rka.bio2) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity

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