Receptor
PDB id Resolution Class Description Source Keywords
2CN3 1.95 Å EC: 3.2.1.151 CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE CLOSTRIDIUM THERMOCELLUM GLYCOSYLHYDROLASE HYDROLASE FAMILY GH74 XYLOGLUCANASE
Ref.: CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE, XGH74A, REVEAL THE STRUCTURAL BASIS FOR XYLOGLUCAN RECOGNITION AND DEGRADATION J.BIOL.CHEM. V. 281 24922 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1778;
B:1777;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC BGC BGC XYS BGC XYS XYS GAL A:1761;
B:1761;
B:1769;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
1225.06 n/a O(C1O...
GLC BGC BGC XYS BGC XYS XYS GAL GAL A:1769;
Valid;
none;
submit data
1387.21 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CN3 1.95 Å EC: 3.2.1.151 CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE CLOSTRIDIUM THERMOCELLUM GLYCOSYLHYDROLASE HYDROLASE FAMILY GH74 XYLOGLUCANASE
Ref.: CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE, XGH74A, REVEAL THE STRUCTURAL BASIS FOR XYLOGLUCAN RECOGNITION AND DEGRADATION J.BIOL.CHEM. V. 281 24922 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL 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 10 families.
1 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
2 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
3 2EBS - BGC BGC XYS BGC XYS BGC XYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC XYS BGC GAL XYS BGC XYS GAL 1 1
2 GAL XYS XYS BGC BGC BGC XYS GAL BGC 1 1
3 GLC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
4 GAL BGC BGC BGC XYS XYS 1 1
5 GLC BGC BGC XYS BGC XYS XYS GAL 1 1
6 GAL BGC BGC BGC XYS BGC XYS 0.949367 1
7 BGC BGC BGC XYS BGC XYS GAL 0.949367 1
8 BGC BGC BGC XYS GAL 0.860759 1
9 BGC BGC XYS BGC XYS GAL 0.855422 0.972222
10 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.855422 0.972222
11 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.855422 0.972222
12 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
13 GLC BGC BGC XYS BGC XYS XYS 0.848101 1
14 BGC BGC XYS BGC XYS BGC XYS 0.848101 1
15 GLC GLC BGC XYS BGC XYS 0.835443 1
16 GLC BGC BGC BGC XYS BGC XYS XYS 0.819277 0.972222
17 BGC BGC BGC XYS BGC BGC 0.814815 1
18 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.814815 1
19 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.814815 1
20 BGC BGC XYS BGC 0.765432 1
21 GAL BGC BGC XYS 0.7625 1
22 GLC GLC XYS XYS 0.7 0.971429
23 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
24 BMA BMA GLA BMA BMA 0.593023 0.942857
25 GLC GLC GLC BGC 0.581395 0.942857
26 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
27 BMA BMA BMA 0.518519 0.942857
28 CE5 0.518519 0.942857
29 CE8 0.518519 0.942857
30 MTT 0.518519 0.942857
31 CTT 0.518519 0.942857
32 DXI 0.518519 0.942857
33 GLC BGC BGC BGC BGC BGC 0.518519 0.942857
34 GLA GAL GLC 0.518519 0.942857
35 GAL GAL GAL 0.518519 0.942857
36 CEX 0.518519 0.942857
37 B4G 0.518519 0.942857
38 BGC GLC GLC 0.518519 0.942857
39 BMA BMA BMA BMA BMA 0.518519 0.942857
40 BMA MAN BMA 0.518519 0.942857
41 GLC GLC GLC GLC GLC 0.518519 0.942857
42 BGC GLC GLC GLC 0.518519 0.942857
43 BGC BGC BGC GLC 0.518519 0.942857
44 BGC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
45 CTR 0.518519 0.942857
46 MLR 0.518519 0.942857
47 GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
48 GLC GLC BGC GLC GLC GLC GLC 0.518519 0.942857
49 BGC BGC BGC BGC BGC BGC 0.518519 0.942857
50 CT3 0.518519 0.942857
51 GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
52 GLC GAL GAL 0.518519 0.942857
53 MAN MAN BMA BMA BMA BMA 0.518519 0.942857
54 BGC GLC GLC GLC GLC 0.518519 0.942857
55 GLC BGC BGC BGC BGC 0.518519 0.942857
56 MT7 0.518519 0.942857
57 GLC BGC BGC 0.518519 0.942857
58 GLC BGC GLC 0.518519 0.942857
59 MAN BMA BMA 0.518519 0.942857
60 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
61 CE6 0.518519 0.942857
62 GLC GLC BGC 0.518519 0.942857
63 BMA BMA BMA BMA BMA BMA 0.518519 0.942857
64 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
65 MAN BMA BMA BMA BMA 0.518519 0.942857
66 CEY 0.518519 0.942857
67 LBT 0.506329 0.942857
68 CBI 0.506329 0.942857
69 GLA GLA 0.506329 0.942857
70 BGC GAL 0.506329 0.942857
71 BGC GLC 0.506329 0.942857
72 LAT 0.506329 0.942857
73 GLC GAL 0.506329 0.942857
74 BMA GAL 0.506329 0.942857
75 BGC BMA 0.506329 0.942857
76 CBK 0.506329 0.942857
77 GAL GLC 0.506329 0.942857
78 MAL MAL 0.506329 0.916667
79 MAB 0.506329 0.942857
80 GAL BGC 0.506329 0.942857
81 GLA GAL 0.506329 0.942857
82 B2G 0.506329 0.942857
83 BMA BMA 0.506329 0.942857
84 GLC BGC 0.506329 0.942857
85 N9S 0.506329 0.942857
86 MAL 0.506329 0.942857
87 GLC GLC GLC GLC GLC GLC 0.505618 0.942857
88 BMA BMA BMA BMA BMA BMA MAN 0.494118 0.916667
89 MAN BMA BMA BMA BMA BMA 0.494118 0.916667
90 BMA BMA BMA BMA GLA BMA GLA 0.481481 0.85
91 BMA MAN 0.46988 0.916667
92 BGC BGC BGC BGC 0.466667 0.942857
93 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
94 GLA GAL GAL 0.454545 0.942857
95 GLA GAL BGC 0.454545 0.942857
96 ABD 0.436893 0.717391
97 GLC GLC GLC GLC 0.434783 0.942857
98 BGC BGC GLC 0.426966 0.942857
99 GLC GLC XYP 0.410526 0.942857
100 GLC GAL FUC 0.410526 0.916667
101 FUC LAT 0.410526 0.916667
102 BGC GAL FUC 0.410526 0.916667
103 FUC GAL GLC 0.410526 0.916667
104 LAT FUC 0.410526 0.916667
105 GLC GLC FRU 0.41 0.871795
106 MAN MAN MAN BMA MAN 0.405941 0.942857
107 GLC GLC G6D ACI GLC GLC GLC 0.405405 0.75
108 LAT GLA 0.404762 0.942857
109 G2F BGC BGC BGC BGC BGC 0.404255 0.825
110 GLC GLC ACI G6D GLC GLC 0.403509 0.702128
111 GLC GLC AGL HMC GLC 0.403509 0.702128
112 ACR GLC GLC GLC 0.403509 0.702128
113 GLC GLC DAF BGC 0.403509 0.702128
114 GLC GLC GLC G6D ADH GLC 0.4 0.693878
Ligand no: 2; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL GAL; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC XYS BGC GAL XYS BGC XYS GAL 1 1
2 GAL XYS XYS BGC BGC BGC XYS GAL BGC 1 1
3 GLC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
4 GAL BGC BGC BGC XYS XYS 1 1
5 GLC BGC BGC XYS BGC XYS XYS GAL 1 1
6 GAL BGC BGC BGC XYS BGC XYS 0.949367 1
7 BGC BGC BGC XYS BGC XYS GAL 0.949367 1
8 BGC BGC BGC XYS GAL 0.860759 1
9 BGC BGC XYS BGC XYS GAL 0.855422 0.972222
10 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.855422 0.972222
11 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.855422 0.972222
12 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
13 GLC BGC BGC XYS BGC XYS XYS 0.848101 1
14 BGC BGC XYS BGC XYS BGC XYS 0.848101 1
15 GLC GLC BGC XYS BGC XYS 0.835443 1
16 GLC BGC BGC BGC XYS BGC XYS XYS 0.819277 0.972222
17 BGC BGC BGC XYS BGC BGC 0.814815 1
18 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.814815 1
19 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.814815 1
20 BGC BGC XYS BGC 0.765432 1
21 GAL BGC BGC XYS 0.7625 1
22 GLC GLC XYS XYS 0.7 0.971429
23 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
24 BMA BMA GLA BMA BMA 0.593023 0.942857
25 GLC GLC GLC BGC 0.581395 0.942857
26 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
27 BMA BMA BMA 0.518519 0.942857
28 CE5 0.518519 0.942857
29 CE8 0.518519 0.942857
30 MTT 0.518519 0.942857
31 CTT 0.518519 0.942857
32 DXI 0.518519 0.942857
33 GLC BGC BGC BGC BGC BGC 0.518519 0.942857
34 GLA GAL GLC 0.518519 0.942857
35 GAL GAL GAL 0.518519 0.942857
36 CEX 0.518519 0.942857
37 B4G 0.518519 0.942857
38 BGC GLC GLC 0.518519 0.942857
39 BMA BMA BMA BMA BMA 0.518519 0.942857
40 BMA MAN BMA 0.518519 0.942857
41 GLC GLC GLC GLC GLC 0.518519 0.942857
42 BGC GLC GLC GLC 0.518519 0.942857
43 BGC BGC BGC GLC 0.518519 0.942857
44 BGC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
45 CTR 0.518519 0.942857
46 MLR 0.518519 0.942857
47 GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
48 GLC GLC BGC GLC GLC GLC GLC 0.518519 0.942857
49 BGC BGC BGC BGC BGC BGC 0.518519 0.942857
50 CT3 0.518519 0.942857
51 GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
52 GLC GAL GAL 0.518519 0.942857
53 MAN MAN BMA BMA BMA BMA 0.518519 0.942857
54 BGC GLC GLC GLC GLC 0.518519 0.942857
55 GLC BGC BGC BGC BGC 0.518519 0.942857
56 MT7 0.518519 0.942857
57 GLC BGC BGC 0.518519 0.942857
58 GLC BGC GLC 0.518519 0.942857
59 MAN BMA BMA 0.518519 0.942857
60 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
61 CE6 0.518519 0.942857
62 GLC GLC BGC 0.518519 0.942857
63 BMA BMA BMA BMA BMA BMA 0.518519 0.942857
64 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
65 MAN BMA BMA BMA BMA 0.518519 0.942857
66 CEY 0.518519 0.942857
67 LBT 0.506329 0.942857
68 CBI 0.506329 0.942857
69 GLA GLA 0.506329 0.942857
70 BGC GAL 0.506329 0.942857
71 BGC GLC 0.506329 0.942857
72 LAT 0.506329 0.942857
73 GLC GAL 0.506329 0.942857
74 BMA GAL 0.506329 0.942857
75 BGC BMA 0.506329 0.942857
76 CBK 0.506329 0.942857
77 GAL GLC 0.506329 0.942857
78 MAL MAL 0.506329 0.916667
79 MAB 0.506329 0.942857
80 GAL BGC 0.506329 0.942857
81 GLA GAL 0.506329 0.942857
82 B2G 0.506329 0.942857
83 BMA BMA 0.506329 0.942857
84 GLC BGC 0.506329 0.942857
85 N9S 0.506329 0.942857
86 MAL 0.506329 0.942857
87 GLC GLC GLC GLC GLC GLC 0.505618 0.942857
88 BMA BMA BMA BMA BMA BMA MAN 0.494118 0.916667
89 MAN BMA BMA BMA BMA BMA 0.494118 0.916667
90 BMA BMA BMA BMA GLA BMA GLA 0.481481 0.85
91 BMA MAN 0.46988 0.916667
92 BGC BGC BGC BGC 0.466667 0.942857
93 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
94 GLA GAL GAL 0.454545 0.942857
95 GLA GAL BGC 0.454545 0.942857
96 ABD 0.436893 0.717391
97 GLC GLC GLC GLC 0.434783 0.942857
98 BGC BGC GLC 0.426966 0.942857
99 GLC GLC XYP 0.410526 0.942857
100 GLC GAL FUC 0.410526 0.916667
101 FUC LAT 0.410526 0.916667
102 BGC GAL FUC 0.410526 0.916667
103 FUC GAL GLC 0.410526 0.916667
104 LAT FUC 0.410526 0.916667
105 GLC GLC FRU 0.41 0.871795
106 MAN MAN MAN BMA MAN 0.405941 0.942857
107 GLC GLC G6D ACI GLC GLC GLC 0.405405 0.75
108 LAT GLA 0.404762 0.942857
109 G2F BGC BGC BGC BGC BGC 0.404255 0.825
110 GLC GLC ACI G6D GLC GLC 0.403509 0.702128
111 GLC GLC AGL HMC GLC 0.403509 0.702128
112 ACR GLC GLC GLC 0.403509 0.702128
113 GLC GLC DAF BGC 0.403509 0.702128
114 GLC GLC GLC G6D ADH GLC 0.4 0.693878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CN3; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2cn3.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CN3; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2cn3.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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