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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5YGA	2.45 Å	EC: 5.3.1.29	CRYSTAL STRUCTURE OF RIBOSE-1,5-BISPHOSPHATE ISOMERASE MUTAN FROM PYROCOCCUS HORIKOSHII OT3 IN COMPLEX WITH RIBOSE-1,5- B ISPHOSPHATE, AMP AND GMP	PYROCOCCUS HORIKOSHII	ISOMERASE NMP DEGRADATION PATHWAY RIBOSE-1 5-BISPHOSPHATEROSSMANN-LIKE FOLD
Ref.:	A PRESUMED HOMOLOGUE OF THE REGULATORY SUBUNITS OF FUNCTIONS AS RIBOSE-1,5-BISPHOSPHATE ISOMERASE IN P HORIKOSHII OT3. SCI REP V. 8 1891 2018

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
RI2	B:401; A:401; C:401;	Valid; Valid; Valid;	none; none; none;	Kd = 10 uM	310.09	C5 H12 O11 P2	C([C@...
G	C:404; B:404;	Valid; Valid;	none; none;	submit data	363.221	C10 H14 N5 O8 P	c1nc2...
AMP	C:402; A:403; B:402;	Valid; Valid; Valid;	none; none; none;	submit data	347.221	C10 H14 N5 O7 P	c1nc(...
K	A:404; C:403; B:403;	Part of Protein; Part of Protein; Part of Protein;	none; none; none;	submit data	39.098	K	[K+]
MPD	A:402;	Invalid;	none;	submit data	118.174	C6 H14 O2	C[C@@...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5YFT	2.21 Å	EC: 5.3.1.29	CRYSTAL STRUCTURE OF RIBOSE-1,5-BISPHOSPHATE ISOMERASE MUTAN FROM PYROCOCCUS HORIKOSHII OT3 IN COMPLEX WITH RIBOSE-1,5- B ISPHOSPHATE	PYROCOCCUS HORIKOSHII	ISOMERASE NMP DEGRADATION PATHWAY RIBOSE-1 5-BISPHOSPHATEROSSMANN-LIKE FOLD
Ref.:	A PRESUMED HOMOLOGUE OF THE REGULATORY SUBUNITS OF FUNCTIONS AS RIBOSE-1,5-BISPHOSPHATE ISOMERASE IN P HORIKOSHII OT3. SCI REP V. 8 1891 2018

Members (8)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5YFS	Kd = 13.8 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
2	5YFT	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
3	5YFW	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
4	5YG7	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
5	5YGA	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
6	5YFU	-	RUB	C5 H12 O11 P2	C([C@H]([C....
7	5YG6	Kd = 13.8 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
8	5YFJ	-	RUB	C5 H12 O11 P2	C([C@H]([C....

70% Homology Family (8)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5YFS	Kd = 13.8 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
2	5YFT	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
3	5YFW	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
4	5YG7	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
5	5YGA	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
6	5YFU	-	RUB	C5 H12 O11 P2	C([C@H]([C....
7	5YG6	Kd = 13.8 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
8	5YFJ	-	RUB	C5 H12 O11 P2	C([C@H]([C....

50% Homology Family (8)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5YFS	Kd = 13.8 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
2	5YFT	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
3	5YFW	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
4	5YG7	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
5	5YGA	Kd = 10 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
6	5YFU	-	RUB	C5 H12 O11 P2	C([C@H]([C....
7	5YG6	Kd = 13.8 uM	RI2	C5 H12 O11 P2	C([C@@H]1[....
8	5YFJ	-	RUB	C5 H12 O11 P2	C([C@H]([C....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: RI2; Similar ligands found: 34

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	RI2	1	1
2	PPC	0.695652	0.906977
3	PRP	0.695652	0.975
4	G16	0.666667	0.860465
5	R1P	0.609756	0.926829
6	AHG	0.575	0.926829
7	ABF	0.534884	0.95
8	HSX	0.534884	0.95
9	RP5	0.534884	0.95
10	XGP	0.533333	0.837209
11	G1P	0.533333	0.837209
12	M1P	0.533333	0.837209
13	GL1	0.533333	0.837209
14	JV4	0.521739	0.795455
15	GRF	0.511111	0.72549
16	A6P	0.5	0.857143
17	G6P	0.5	0.857143
18	M6D	0.5	0.857143
19	BG6	0.5	0.857143
20	M6P	0.5	0.857143
21	BGP	0.5	0.857143
22	FDQ	0.479167	0.904762
23	RF5	0.468085	0.840909
24	50A	0.468085	0.840909
25	GLP	0.46	0.72
26	4R1	0.46	0.72
27	NNG	0.444444	0.685185
28	D6G	0.44	0.818182
29	16G	0.436364	0.685185
30	4QY	0.436364	0.685185
31	BMX	0.436364	0.685185
32	GFP	0.411765	0.765957
33	GMB	0.410714	0.860465
34	GLC G6P	0.410714	0.723404

Ligand no: 2; Ligand: G; Similar ligands found: 159

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	G	1	1
2	5GP	1	1
3	GDP	0.828947	0.986486
4	GP3	0.815789	0.960526
5	GP2	0.805195	0.948052
6	GTP	0.797468	0.986486
7	GNH	0.794872	0.973333
8	G2P	0.777778	0.948052
9	GMV	0.775	0.960526
10	GCP	0.765432	0.960526
11	G1R	0.765432	0.973333
12	GAV	0.759036	0.948052
13	GSP	0.756098	0.935897
14	GNP	0.756098	0.960526
15	9GM	0.756098	0.960526
16	ALF 5GP	0.753086	0.9
17	GDP BEF	0.743902	0.947368
18	GTP MG	0.73494	0.972973
19	GMP	0.732394	0.866667
20	GPG	0.724138	0.948052
21	G2R	0.712644	0.948052
22	GDP ALF	0.701149	0.9
23	GDP AF3	0.701149	0.9
24	GKE	0.692308	0.948052
25	GDC	0.692308	0.948052
26	Y9Z	0.692308	0.890244
27	GDD	0.692308	0.948052
28	YGP	0.681319	0.9125
29	G3A	0.677419	0.960526
30	G5P	0.670213	0.960526
31	KB7	0.666667	0.8375
32	GFB	0.666667	0.948052
33	GDR	0.666667	0.948052
34	GTG	0.666667	0.924051
35	6CK	0.659574	0.924051
36	3GP	0.65	0.959459
37	JB2	0.645833	0.948052
38	GKD	0.645833	0.948052
39	GDX	0.639175	0.960526
40	GPD	0.639175	0.9125
41	GDP 7MG	0.635417	0.923077
42	G3D	0.617977	0.972973
43	U2G	0.617647	0.924051
44	KBD	0.612903	0.8375
45	2GP	0.609756	0.946667
46	IMP	0.609756	0.972603
47	JB3	0.607843	0.935897
48	CG2	0.605769	0.924051
49	G4P	0.604396	0.972973
50	DG	0.60241	0.922078
51	DGP	0.60241	0.922078
52	NGD	0.601942	0.948052
53	FEG	0.601942	0.890244
54	ZGP	0.596154	0.879518
55	0O2	0.595745	0.972973
56	KBJ	0.587629	0.807229
57	2MD	0.584906	0.879518
58	G7M	0.583333	0.960526
59	CAG	0.583333	0.869048
60	MGD	0.568807	0.879518
61	DBG	0.566372	0.935897
62	MD1	0.5625	0.879518
63	PGD	0.5625	0.9125
64	P2G	0.55814	0.894737
65	FE9	0.553571	0.784946
66	P1G	0.545455	0.883117
67	GH3	0.542553	0.96
68	I2C FE2 CMO CMO	0.539823	0.818182
69	TPG	0.53913	0.829545
70	GPX	0.53125	0.933333
71	DGI	0.527473	0.910256
72	G1R G1R	0.525862	0.911392
73	PGD O	0.521368	0.83908
74	DGT	0.521277	0.910256
75	G4M	0.520325	0.869048
76	AKW	0.513761	0.878049
77	G C	0.513514	0.911392
78	93A	0.511364	0.821429
79	IDP	0.505495	0.959459
80	MGQ	0.505155	0.948052
81	C2R	0.5	0.893333
82	A	0.5	0.905405
83	BGO	0.5	0.911392
84	AMZ	0.5	0.905405
85	AMP	0.5	0.905405
86	AIR	0.493671	0.890411
87	MGV	0.49	0.901235
88	QBQ	0.489362	0.972973
89	SGP	0.488889	0.8375
90	NIA	0.488095	0.8375
91	GPC	0.474138	0.890244
92	GGM	0.473684	0.888889
93	71V	0.47191	0.85
94	R5I	0.46875	0.933333
95	MGP	0.46875	0.948052
96	R7I	0.46875	0.933333
97	C2E	0.468085	0.933333
98	PCG	0.468085	0.945946
99	35G	0.468085	0.945946
100	G1G	0.466102	0.9125
101	7RA	0.465909	0.918919
102	FAI	0.465909	0.905405
103	AAM	0.465909	0.905405
104	RMB	0.465909	0.813333
105	1RB	0.465116	0.824324
106	6G0	0.463918	0.948052
107	5GP 5GP	0.463158	0.894737
108	RBZ	0.45977	0.815789
109	UCG	0.459016	0.923077
110	APC G U	0.458333	0.897436
111	IMO	0.449438	0.866667
112	6MZ	0.444444	0.868421
113	IRN	0.443038	0.808219
114	PMO	0.43956	0.792208
115	7RP	0.438202	0.864865
116	NYZ	0.4375	0.923077
117	GTA	0.436364	0.924051
118	JLN	0.433333	0.88
119	P2P	0.433333	0.842105
120	CZF	0.43299	0.92
121	XMP	0.428571	0.907895
122	M7G A2M G	0.427586	0.818182
123	PGS	0.425532	0.804878
124	RVP	0.423529	0.84
125	G2Q	0.423077	0.948052
126	ADP	0.419355	0.906667
127	ABM	0.417582	0.857143
128	45A	0.417582	0.857143
129	A2D	0.417582	0.881579
130	PRT	0.416667	0.945946
131	GUO	0.415842	0.932432
132	AT4	0.414894	0.871795
133	AMP MG	0.411111	0.866667
134	CA0	0.410526	0.883117
135	2SA	0.41	0.871795
136	OK8	0.41	0.87013
137	1YD	0.409091	0.933333
138	4BW	0.409091	0.933333
139	BA3	0.408602	0.881579
140	AP2	0.408602	0.871795
141	A12	0.408602	0.871795
142	6C6	0.408163	0.825
143	25A	0.407767	0.906667
144	NOS	0.406977	0.813333
145	ATP	0.40625	0.906667
146	KG4	0.40625	0.883117
147	HEJ	0.40625	0.906667
148	B4P	0.404255	0.881579
149	AP5	0.404255	0.881579
150	6IA	0.40404	0.785714
151	ACQ	0.40404	0.883117
152	ANP	0.40404	0.883117
153	CGP	0.403361	0.878049
154	3ZE	0.402062	0.871795
155	5FA	0.402062	0.906667
156	APC	0.402062	0.871795
157	AQP	0.402062	0.906667
158	AN2	0.4	0.894737
159	N6P	0.4	0.853333

Ligand no: 3; 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

Similar Ligands (3D)

Ligand no: 1; Ligand: RI2; Similar ligands found: 36

No:	Ligand	Similarity coefficient
1	RUB	0.9603
2	IR8	0.9489
3	FBP	0.9131
4	IRN	0.9069
5	GAR	0.9035
6	XBP	0.8994
7	SGN	0.8958
8	AFP	0.8938
9	AIR	0.8921
10	IR9	0.8907
11	BSV	0.8887
12	D8X	0.8865
13	GUS	0.8859
14	HKK	0.8791
15	LG6	0.8764
16	LF5	0.8748
17	108	0.8744
18	JAA	0.8740
19	NGS	0.8738
20	HHB	0.8726
21	FZ6	0.8724
22	ET0	0.8664
23	UN3	0.8658
24	LNN	0.8624
25	6PG	0.8618
26	5KN	0.8617
27	I22	0.8615
28	F6R	0.8607
29	8RK	0.8602
30	G6Q	0.8593
31	JHY	0.8580
32	FDP	0.8578
33	AED	0.8570
34	60L	0.8532
35	ALA ZGL	0.8527
36	9X3	0.8518

Ligand no: 2; Ligand: G; Similar ligands found: 130

No:	Ligand	Similarity coefficient
1	IMU	0.9873
2	EO7	0.9741
3	IRP	0.9705
4	6OG	0.9662
5	FMP	0.9644
6	LMS	0.9642
7	5HM	0.9627
8	SRA	0.9580
9	D5M	0.9554
10	DI	0.9544
11	6CG	0.9535
12	AS	0.9519
13	DA	0.9516
14	8BR	0.9516
15	TMP	0.9439
16	8OG	0.9429
17	8GM	0.9380
18	6MA	0.9364
19	5HU	0.9359
20	NMN	0.9355
21	AOC	0.9351
22	8OP	0.9324
23	BRU	0.9319
24	NCN	0.9315
25	N5O	0.9301
26	A3N	0.9301
27	5AS	0.9293
28	Z8B	0.9277
29	ZAS	0.9253
30	3DH	0.9245
31	TKW	0.9226
32	5CM	0.9226
33	CNU	0.9219
34	U5P	0.9216
35	UFP	0.9213
36	5FU	0.9202
37	FDM	0.9196
38	MTA	0.9186
39	PFU	0.9182
40	BVP	0.9181
41	NEC	0.9166
42	J7C	0.9161
43	6RE	0.9161
44	5BU	0.9135
45	NYM	0.9128
46	7D5	0.9128
47	C	0.9124
48	BMQ	0.9115
49	BMP	0.9114
50	C5P	0.9107
51	FNU	0.9092
52	16B	0.9080
53	3F5	0.9079
54	UP6	0.9069
55	5IU	0.9044
56	MCF	0.9029
57	O8M	0.9028
58	QBT	0.9007
59	NUP	0.9005
60	CMP	0.9005
61	PRX	0.9002
62	UMP	0.9002
63	2DT	0.8989
64	D4M	0.8976
65	H2U	0.8976
66	ATM	0.8950
67	MZP	0.8948
68	DCM	0.8923
69	U	0.8917
70	9L3	0.8909
71	UMC	0.8908
72	NWQ	0.8908
73	DSH	0.8891
74	PSU	0.8885
75	EP4	0.8883
76	T3S	0.8881
77	SP1	0.8863
78	CH	0.8861
79	FN5	0.8861
80	M7G	0.8859
81	S5P	0.8854
82	4X2	0.8849
83	ADX	0.8846
84	M33	0.8835
85	6CN	0.8830
86	6AU	0.8828
87	GJV	0.8826
88	DU	0.8822
89	DUS	0.8821
90	OMP	0.8819
91	JW5	0.8800
92	9PP	0.8796
93	DDN	0.8785
94	TXS	0.8768
95	GNG	0.8759
96	A4D	0.8757
97	U6M	0.8756
98	T3P	0.8746
99	IXF	0.8739
100	A3P	0.8736
101	O7E	0.8733
102	FMC	0.8731
103	DC	0.8725
104	CAR	0.8721
105	A2P	0.8718
106	ADN	0.8712
107	6SW	0.8707
108	CL9	0.8698
109	2FA	0.8696
110	RP1	0.8682
111	2OM	0.8678
112	A8M	0.8659
113	M16	0.8655
114	43J	0.8654
115	MG7	0.8651
116	581	0.8650
117	MTE	0.8647
118	DOC	0.8630
119	43H	0.8607
120	NWW	0.8594
121	DBM	0.8588
122	3BH	0.8569
123	AJ8	0.8565
124	5CD	0.8557
125	5N5	0.8548
126	GAP	0.8544
127	6SX	0.8537
128	DAT	0.8522
129	RFZ	0.8517
130	1BJ	0.8511

Ligand no: 3; 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

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

Pocket No.: 1; Query (leader) PDB : 5YFT; Ligand: RI2; Similar sites found with APoc: 4

This union binding pocket(no: 1) in the query (biounit: 5yft.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	2YVK	MRU	45.679
2	2YVK	MRU	45.679
3	2YVK	MRU	45.679
4	2YVK	MRU	45.679

Pocket No.: 2; Query (leader) PDB : 5YFT; Ligand: RI2; 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: 5yft.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 5YFT; Ligand: RI2; Similar sites found with APoc: 4

This union binding pocket(no: 3) in the query (biounit: 5yft.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	2YVK	MRU	45.679
2	2YVK	MRU	45.679
3	2YVK	MRU	45.679
4	2YVK	MRU	45.679

Pocket No.: 4; Query (leader) PDB : 5YFT; Ligand: RI2; 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: 5yft.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 5YFT; Ligand: RI2; Similar sites found with APoc: 4

This union binding pocket(no: 5) in the query (biounit: 5yft.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	2YVK	MRU	45.679
2	2YVK	MRU	45.679
3	2YVK	MRU	45.679
4	2YVK	MRU	45.679

Pocket No.: 6; Query (leader) PDB : 5YFT; Ligand: RI2; 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: 5yft.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity

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