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 F:1;
E:1;
C:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
1225.06 n/a O(CC1...
GLC BGC BGC XYS BGC XYS XYS GAL GAL D:1;
Valid;
none;
submit data
1387.21 n/a O(CC1...
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 9 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 8 families.
1 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 families.
1 6P2L - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
2 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
3 6P2M - BGC BGC BGC XYS XYS GAL GAL n/a n/a
4 6P2O - BGC BGC BGC XYS BGC XYS XYS GAL GAL n/a n/a
5 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
6 6MGL - BGC BGC BGC XYS BGC XYS XYS GAL n/a n/a
7 6MGK - BGC BGC XYS XYS GAL n/a n/a
8 2EBS - BGC BGC BGC XYS BGC XYS XYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS GAL GLC BGC BGC XYS BGC XYS 1 1
2 GLC BGC BGC XYS BGC XYS XYS GAL 1 1
3 BGC BGC XYS BGC GAL XYS BGC XYS GAL 1 1
4 GAL BGC BGC BGC XYS XYS 1 1
5 GAL XYS BGC BGC XYS XYS BGC GAL BGC 1 1
6 GLC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
7 GAL XYS XYS BGC BGC BGC XYS GAL BGC 1 1
8 GAL XYS XYS BGC BGC XYS BGC BGC 1 1
9 XYS BGC GAL BGC BGC BGC XYS GAL XYS 1 1
10 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.975309 1
11 BGC BGC XYS BGC XYS XYS GAL 0.95 1
12 BGC BGC BGC XYS BGC XYS GAL 0.949367 1
13 GAL BGC BGC BGC XYS BGC XYS 0.949367 1
14 BGC BGC XYS XYS GAL 0.9 1
15 BGC BGC BGC XYS GAL 0.860759 1
16 BGC BGC XYS BGC XYS GAL 0.855422 0.972222
17 XYS BGC BGC XYS BGC BGC XYS 0.848101 1
18 XYS BGC BGC XYS BGC XYS BGC 0.848101 1
19 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
20 GLC BGC BGC XYS BGC XYS XYS 0.848101 1
21 BGC BGC XYS BGC XYS BGC XYS 0.848101 1
22 BGC BGC BGC XYS BGC BGC 0.814815 1
23 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.814815 1
24 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.814815 1
25 BGC BGC XYS BGC 0.765432 1
26 GAL BGC BGC XYS 0.7625 1
27 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
28 BMA BMA GLA BMA BMA 0.593023 0.942857
29 BMA BMA BMA GLA BMA 0.593023 0.942857
30 GLC GLC GLC BGC 0.581395 0.942857
31 BMA BMA MAN GLA GLA 0.564706 0.942857
32 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
33 GLC BGC BGC BGC BGC 0.518519 0.942857
34 GLC BGC BGC BGC BGC BGC 0.518519 0.942857
35 BGC BGC BGC 0.518519 0.942857
36 MT7 0.518519 0.942857
37 CE8 0.518519 0.942857
38 BMA BMA BMA BMA BMA BMA 0.518519 0.942857
39 GLC BGC GLC 0.518519 0.942857
40 MTT 0.518519 0.942857
41 BGC BGC BGC BGC 0.518519 0.942857
42 MLR 0.518519 0.942857
43 BMA BMA BMA BMA BMA 0.518519 0.942857
44 MAN BMA BMA BMA BMA BMA 0.518519 0.942857
45 B4G 0.518519 0.942857
46 MAN MAN BMA BMA BMA BMA 0.518519 0.942857
47 BGC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
48 CT3 0.518519 0.942857
49 CE6 0.518519 0.942857
50 BMA MAN BMA 0.518519 0.942857
51 CE5 0.518519 0.942857
52 CTT 0.518519 0.942857
53 GLA GAL GLC 0.518519 0.942857
54 GLC GLC GLC GLC GLC 0.518519 0.942857
55 BGC GLC GLC 0.518519 0.942857
56 BGC GLC GLC GLC GLC 0.518519 0.942857
57 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
58 MAN BMA BMA BMA BMA 0.518519 0.942857
59 GLC BGC BGC 0.518519 0.942857
60 CEX 0.518519 0.942857
61 MAN BMA BMA 0.518519 0.942857
62 BGC GLC GLC GLC 0.518519 0.942857
63 GAL GAL GAL 0.518519 0.942857
64 GLC BGC BGC BGC 0.518519 0.942857
65 DXI 0.518519 0.942857
66 GLA GAL BGC 0.518519 0.942857
67 BGC BGC BGC GLC 0.518519 0.942857
68 BMA BMA BMA 0.518519 0.942857
69 BGC BGC GLC 0.518519 0.942857
70 CTR 0.518519 0.942857
71 CEY 0.518519 0.942857
72 GLC GAL GAL 0.518519 0.942857
73 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
74 CBK 0.506329 0.942857
75 CBI 0.506329 0.942857
76 BGC BMA 0.506329 0.942857
77 LBT 0.506329 0.942857
78 BGC GAL 0.506329 0.942857
79 MAL 0.506329 0.942857
80 MAB 0.506329 0.942857
81 BMA BMA 0.506329 0.942857
82 B2G 0.506329 0.942857
83 GAL BGC 0.506329 0.942857
84 LAT 0.506329 0.942857
85 GLC GAL 0.506329 0.942857
86 N9S 0.506329 0.942857
87 BMA GAL 0.506329 0.942857
88 BGC BGC 0.46988 0.916667
89 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
90 XYT 0.460674 0.733333
91 GLA GAL GAL 0.454545 0.942857
92 ABD 0.436893 0.717391
93 GAL BGC NAG NAG GAL GAL 0.419643 0.66
94 BMA MAN MAN MAN MAN 0.418367 0.942857
95 MAN MAN MAN MAN MAN MAN MAN 0.413462 0.942857
96 MAN BMA MAN 0.413043 0.942857
97 MAN MAN MAN 0.413043 0.942857
98 LAT FUC 0.410526 0.916667
99 GLC GLC XYP 0.410526 0.942857
100 8B7 0.410526 0.916667
101 GLC GAL FUC 0.410526 0.916667
102 FUC GAL GLC BGC 0.410526 0.916667
103 FUC GAL GLC 0.410526 0.916667
104 BGC GAL FUC 0.410526 0.916667
105 MAN MAN MAN BMA MAN 0.405941 0.942857
106 LAT GLA 0.404762 0.942857
107 G2F BGC BGC BGC BGC BGC 0.404255 0.825
Ligand no: 2; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL GAL; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS GAL GLC BGC BGC XYS BGC XYS 1 1
2 GLC BGC BGC XYS BGC XYS XYS GAL 1 1
3 BGC BGC XYS BGC GAL XYS BGC XYS GAL 1 1
4 GAL BGC BGC BGC XYS XYS 1 1
5 GAL XYS BGC BGC XYS XYS BGC GAL BGC 1 1
6 GLC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
7 GAL XYS XYS BGC BGC BGC XYS GAL BGC 1 1
8 GAL XYS XYS BGC BGC XYS BGC BGC 1 1
9 XYS BGC GAL BGC BGC BGC XYS GAL XYS 1 1
10 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.975309 1
11 BGC BGC XYS BGC XYS XYS GAL 0.95 1
12 BGC BGC BGC XYS BGC XYS GAL 0.949367 1
13 GAL BGC BGC BGC XYS BGC XYS 0.949367 1
14 BGC BGC XYS XYS GAL 0.9 1
15 BGC BGC BGC XYS GAL 0.860759 1
16 BGC BGC XYS BGC XYS GAL 0.855422 0.972222
17 XYS BGC BGC XYS BGC BGC XYS 0.848101 1
18 XYS BGC BGC XYS BGC XYS BGC 0.848101 1
19 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
20 GLC BGC BGC XYS BGC XYS XYS 0.848101 1
21 BGC BGC XYS BGC XYS BGC XYS 0.848101 1
22 BGC BGC BGC XYS BGC BGC 0.814815 1
23 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.814815 1
24 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.814815 1
25 BGC BGC XYS BGC 0.765432 1
26 GAL BGC BGC XYS 0.7625 1
27 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
28 BMA BMA GLA BMA BMA 0.593023 0.942857
29 BMA BMA BMA GLA BMA 0.593023 0.942857
30 GLC GLC GLC BGC 0.581395 0.942857
31 BMA BMA MAN GLA GLA 0.564706 0.942857
32 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
33 GLC BGC BGC BGC BGC 0.518519 0.942857
34 GLC BGC BGC BGC BGC BGC 0.518519 0.942857
35 BGC BGC BGC 0.518519 0.942857
36 MT7 0.518519 0.942857
37 CE8 0.518519 0.942857
38 BMA BMA BMA BMA BMA BMA 0.518519 0.942857
39 GLC BGC GLC 0.518519 0.942857
40 MTT 0.518519 0.942857
41 BGC BGC BGC BGC 0.518519 0.942857
42 MLR 0.518519 0.942857
43 BMA BMA BMA BMA BMA 0.518519 0.942857
44 MAN BMA BMA BMA BMA BMA 0.518519 0.942857
45 B4G 0.518519 0.942857
46 MAN MAN BMA BMA BMA BMA 0.518519 0.942857
47 BGC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
48 CT3 0.518519 0.942857
49 CE6 0.518519 0.942857
50 BMA MAN BMA 0.518519 0.942857
51 CE5 0.518519 0.942857
52 CTT 0.518519 0.942857
53 GLA GAL GLC 0.518519 0.942857
54 GLC GLC GLC GLC GLC 0.518519 0.942857
55 BGC GLC GLC 0.518519 0.942857
56 BGC GLC GLC GLC GLC 0.518519 0.942857
57 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
58 MAN BMA BMA BMA BMA 0.518519 0.942857
59 GLC BGC BGC 0.518519 0.942857
60 CEX 0.518519 0.942857
61 MAN BMA BMA 0.518519 0.942857
62 BGC GLC GLC GLC 0.518519 0.942857
63 GAL GAL GAL 0.518519 0.942857
64 GLC BGC BGC BGC 0.518519 0.942857
65 DXI 0.518519 0.942857
66 GLA GAL BGC 0.518519 0.942857
67 BGC BGC BGC GLC 0.518519 0.942857
68 BMA BMA BMA 0.518519 0.942857
69 BGC BGC GLC 0.518519 0.942857
70 CTR 0.518519 0.942857
71 CEY 0.518519 0.942857
72 GLC GAL GAL 0.518519 0.942857
73 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
74 CBK 0.506329 0.942857
75 CBI 0.506329 0.942857
76 BGC BMA 0.506329 0.942857
77 LBT 0.506329 0.942857
78 BGC GAL 0.506329 0.942857
79 MAL 0.506329 0.942857
80 MAB 0.506329 0.942857
81 BMA BMA 0.506329 0.942857
82 B2G 0.506329 0.942857
83 GAL BGC 0.506329 0.942857
84 LAT 0.506329 0.942857
85 GLC GAL 0.506329 0.942857
86 N9S 0.506329 0.942857
87 BMA GAL 0.506329 0.942857
88 BGC BGC 0.46988 0.916667
89 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
90 XYT 0.460674 0.733333
91 GLA GAL GAL 0.454545 0.942857
92 ABD 0.436893 0.717391
93 GAL BGC NAG NAG GAL GAL 0.419643 0.66
94 BMA MAN MAN MAN MAN 0.418367 0.942857
95 MAN MAN MAN MAN MAN MAN MAN 0.413462 0.942857
96 MAN BMA MAN 0.413043 0.942857
97 MAN MAN MAN 0.413043 0.942857
98 LAT FUC 0.410526 0.916667
99 GLC GLC XYP 0.410526 0.942857
100 8B7 0.410526 0.916667
101 GLC GAL FUC 0.410526 0.916667
102 FUC GAL GLC BGC 0.410526 0.916667
103 FUC GAL GLC 0.410526 0.916667
104 BGC GAL FUC 0.410526 0.916667
105 MAN MAN MAN BMA MAN 0.405941 0.942857
106 LAT GLA 0.404762 0.942857
107 G2F BGC BGC BGC BGC BGC 0.404255 0.825
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 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: 2cn3.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CN3; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; 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: 2cn3.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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