Showing PDB: 2YFZ

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Family: 90% | 70% | 50% | site

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Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
2YFZ	1.8 Å	NON-ENZYME: BINDING	CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A	CLOSTRIDIUM THERMOCELLUM	SUGAR BINDING PROTEIN
Ref.:	A NOVEL, NONCATALYTIC CARBOHYDRATE-BINDING MODULE D SPECIFICITY FOR GALACTOSE-CONTAINING POLYSACCHARIDE THROUGH CALCIUM-MEDIATED OLIGOMERIZATION. J.BIOL.CHEM. V. 286 22499 2011

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
BGC BGC BGC XYS GAL	A:1143;	Valid;	none;	Kd = 0.565 uM		798.694	n/a	O(C1O...
CA	A:1141;	Part of Protein;	none;	submit data		40.078	Ca	[Ca+2...
GOL	A:1142;	Invalid;	none;	submit data		92.094	C3 H8 O3	C(C(C...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
2YFZ	1.8 Å	NON-ENZYME: BINDING	CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A	CLOSTRIDIUM THERMOCELLUM	SUGAR BINDING PROTEIN
Ref.:	A NOVEL, NONCATALYTIC CARBOHYDRATE-BINDING MODULE D SPECIFICITY FOR GALACTOSE-CONTAINING POLYSACCHARIDE THROUGH CALCIUM-MEDIATED OLIGOMERIZATION. J.BIOL.CHEM. V. 286 22499 2011

Members (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 473 families.
1	2YFZ	Kd = 0.565 uM	BGC BGC BGC XYS GAL	n/a	n/a
2	2YB7	-	GLA BMA	n/a	n/a
3	2YG0	Kd = 3.44 mM	GLA BMA	n/a	n/a

70% Homology Family (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 355 families.
1	2YFZ	Kd = 0.565 uM	BGC BGC BGC XYS GAL	n/a	n/a
2	2YB7	-	GLA BMA	n/a	n/a
3	2YG0	Kd = 3.44 mM	GLA BMA	n/a	n/a

50% Homology Family (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 272 families.
1	2YFZ	Kd = 0.565 uM	BGC BGC BGC XYS GAL	n/a	n/a
2	2YB7	-	GLA BMA	n/a	n/a
3	2YG0	Kd = 3.44 mM	GLA BMA	n/a	n/a

Polypharmacology

Similar Ligands

Ligand no: 1; Ligand: BGC BGC BGC XYS GAL; Similar ligands found: 159

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	BGC BGC BGC XYS GAL	1	1
2	GAL BGC BGC BGC XYS BGC XYS	0.906667	1
3	BGC BGC BGC XYS BGC XYS GAL	0.906667	1
4	GAL BGC BGC XYS	0.884058	1
5	GLC BGC BGC XYS BGC XYS XYS GAL GAL	0.860759	1
6	GAL XYS XYS BGC BGC BGC XYS GAL BGC	0.860759	1
7	BGC BGC XYS BGC GAL XYS BGC XYS GAL	0.860759	1
8	GLC BGC BGC XYS BGC XYS XYS GAL	0.860759	1
9	GAL BGC BGC BGC XYS XYS	0.860759	1
10	GLC GLC BGC XYS BGC XYS	0.786667	1
11	XYS BGC BGC XYS BGC XYS BGC BGC BGC	0.766234	1
12	BGC BGC BGC XYS BGC BGC	0.766234	1
13	XYS BGC BGC BGC BGC XYS BGC BGC BGC	0.766234	1
14	BGC BGC BGC XYS BGC XYS XYS GAL GAL	0.722892	0.972222
15	BGC BGC XYS BGC BGC XYS XYS GAL GAL	0.722892	0.972222
16	BGC BGC XYS BGC XYS GAL	0.722892	0.972222
17	BGC BGC XYS BGC XYS BGC XYS	0.708861	1
18	GLC BGC BGC XYS BGC XYS XYS	0.708861	1
19	BGC BGC BGC XYS BGC XYS XYS	0.708861	1
20	GLC BGC BGC BGC XYS BGC XYS XYS	0.686747	0.972222
21	BMA BMA GLA BMA BMA	0.68	0.942857
22	BGC BGC XYS BGC	0.62963	1
23	MLR	0.6	0.942857
24	CEY	0.6	0.942857
25	GAL GAL GAL	0.6	0.942857
26	BGC GLC GLC GLC GLC GLC GLC	0.6	0.942857
27	CE8	0.6	0.942857
28	GLC BGC BGC BGC BGC	0.6	0.942857
29	BGC GLC GLC GLC	0.6	0.942857
30	MT7	0.6	0.942857
31	BMA MAN BMA	0.6	0.942857
32	MTT	0.6	0.942857
33	GLA GAL GLC	0.6	0.942857
34	CE5	0.6	0.942857
35	CE6	0.6	0.942857
36	CTR	0.6	0.942857
37	GLC GLC GLC GLC GLC GLC GLC GLC	0.6	0.942857
38	BGC BGC BGC BGC BGC BGC BGC BGC BGC	0.6	0.942857
39	BGC BGC BGC BGC BGC BGC	0.6	0.942857
40	GLC BGC BGC	0.6	0.942857
41	BMA BMA BMA BMA BMA BMA	0.6	0.942857
42	BGC GLC GLC	0.6	0.942857
43	DXI	0.6	0.942857
44	GLC GLC BGC	0.6	0.942857
45	BGC BGC BGC GLC	0.6	0.942857
46	GLC BGC BGC BGC BGC BGC	0.6	0.942857
47	GLC GAL GAL	0.6	0.942857
48	GLC BGC GLC	0.6	0.942857
49	CTT	0.6	0.942857
50	MAN BMA BMA BMA BMA	0.6	0.942857
51	GLC GLC BGC GLC GLC GLC GLC	0.6	0.942857
52	MAN MAN BMA BMA BMA BMA	0.6	0.942857
53	MAN BMA BMA	0.6	0.942857
54	GLC GLC GLC GLC GLC GLC GLC	0.6	0.942857
55	B4G	0.6	0.942857
56	BGC GLC GLC GLC GLC	0.6	0.942857
57	BMA BMA BMA BMA BMA	0.6	0.942857
58	CEX	0.6	0.942857
59	GLC GLC GLC GLC GLC	0.6	0.942857
60	GLC GLC GLC GLC GLC GLC GLC GLC GLC	0.6	0.942857
61	BMA BMA BMA	0.6	0.942857
62	CT3	0.6	0.942857
63	LAT	0.588235	0.942857
64	MAL	0.588235	0.942857
65	LBT	0.588235	0.942857
66	BGC BMA	0.588235	0.942857
67	GLC GAL	0.588235	0.942857
68	GLC BGC	0.588235	0.942857
69	BGC GAL	0.588235	0.942857
70	BMA BMA	0.588235	0.942857
71	CBK	0.588235	0.942857
72	MAB	0.588235	0.942857
73	GAL GLC	0.588235	0.942857
74	GAL BGC	0.588235	0.942857
75	BMA GAL	0.588235	0.942857
76	GLA GLA	0.588235	0.942857
77	MAL MAL	0.588235	0.916667
78	CBI	0.588235	0.942857
79	BGC GLC	0.588235	0.942857
80	B2G	0.588235	0.942857
81	N9S	0.588235	0.942857
82	GLA GAL	0.588235	0.942857
83	BMA BMA BMA BMA BMA BMA MAN	0.567568	0.916667
84	MAN BMA BMA BMA BMA BMA	0.567568	0.916667
85	GLC GLC GLC BGC	0.5625	0.942857
86	GLC GLC XYS XYS	0.5625	0.971429
87	BMA MAN	0.541667	0.916667
88	BGC BGC BGC BGC	0.531646	0.942857
89	BGC BGC BGC BGC BGC BGC BGC BGC	0.531646	0.942857
90	GLA GAL BGC	0.519481	0.942857
91	GLA GAL GAL	0.519481	0.942857
92	GLC GLC GLC GLC GLC GLC	0.518519	0.942857
93	NBG BGC BGC XYS BGC XYS XYS	0.505263	0.744681
94	BMA BMA BMA BMA GLA BMA GLA	0.50505	0.85
95	ABD	0.48913	0.717391
96	BGC BGC GLC	0.487179	0.942857
97	LAT GLA	0.465753	0.942857
98	FUC GAL GLC	0.464286	0.916667
99	GLC GAL FUC	0.464286	0.916667
100	GLC GLC XYP	0.464286	0.942857
101	FUC LAT	0.464286	0.916667
102	BGC GAL FUC	0.464286	0.916667
103	LAT FUC	0.464286	0.916667
104	G2F BGC BGC BGC BGC BGC	0.457831	0.825
105	GLC GLC G6D ACI GLC GLC GLC	0.45	0.75
106	GLA EGA	0.448718	0.891892
107	GAL BGC NAG GAL	0.445652	0.702128
108	AHR XYS XYS	0.44186	0.918919
109	BGC GLA GAL FUC	0.43956	0.916667
110	GLC G6D ACI GLC	0.438776	0.75
111	GLC ACI GLD GLC	0.438776	0.75
112	GLC G6D ADH GLC	0.438776	0.75
113	GLC ACI G6D BGC	0.438776	0.75
114	NGA GAL BGC	0.438202	0.702128
115	GAL NGA GLA BGC GAL	0.4375	0.702128
116	GAL FUC	0.435897	0.888889
117	DR5	0.428571	0.891892
118	MMA MAN	0.428571	0.891892
119	AHR XYP XYP XYP	0.428571	0.918919
120	GLC GLC GLC G6D ADH GLC	0.428571	0.693878
121	GLC AGL GLC HMC	0.427184	0.6875
122	BMA MAN MAN	0.426829	0.942857
123	BGC GAL NAG GAL	0.425532	0.702128
124	LAT NAG GAL	0.425532	0.702128
125	GAL NAG GAL BGC	0.425532	0.702128
126	MAL EDO	0.425	0.944444
127	GLA GAL BGC 5VQ	0.421687	0.846154
128	M3M	0.421053	0.942857
129	LB2	0.421053	0.942857
130	MAN GLC	0.421053	0.942857
131	GLC GLC XYS	0.420455	0.916667
132	BGC BGC G2F SHG	0.419355	0.804878
133	AAO	0.419048	0.702128
134	GLC GLC DAF BGC	0.419048	0.702128
135	ACR GLC GLC GLC	0.419048	0.702128
136	ARE	0.419048	0.702128
137	GLC GLC AGL HMC GLC	0.419048	0.702128
138	GLC GLC ACI G6D GLC GLC	0.419048	0.702128
139	U63	0.417722	0.846154
140	GLC GAL NAG GAL	0.416667	0.702128
141	GLO BGC BGC XYS BGC XYS XYS	0.415094	0.972222
142	G3I	0.413793	0.813953
143	G2I	0.413793	0.813953
144	OXZ BGC BGC	0.413793	0.729167
145	GLC GLC FRU	0.413043	0.871795
146	DEL	0.4125	0.971429
147	NGA GLA GAL BGC	0.412371	0.702128
148	GAL GAL SO4	0.411765	0.673469
149	MAN MAN MAN BMA MAN	0.408602	0.942857
150	GLC ACI G6D GLC	0.407767	0.702128
151	GLC ACI GLD GAL	0.407767	0.702128
152	GLC GLC GLC GLC	0.406977	0.942857
153	FUC BGC GAL	0.406977	0.916667
154	GLA GAL GLC NBU	0.406977	0.804878
155	5GO	0.404762	0.634615
156	MAN BMA MAN MAN MAN	0.404494	0.942857
157	M5S	0.404494	0.942857
158	BMA BMA MAN	0.4	0.916667
159	LAG	0.4	0.607143

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