Receptor
PDB id Resolution Class Description Source Keywords
5FKS 1.99 Å EC: 3.2.1.- UNRAVELING THE FIRST STEP OF XYLOGLUCAN DEGRADATION BY THE S SAPROPHYTE CELLVIBRIO JAPONICUS THROUGH THE FUNCTIONAL AND S TRUCTURAL CHARACTERIZATION OF A POTENT GH74 ENDO-XYLOGLUCA CELLVIBRIO JAPONICUS HYDROLASE CELLVIBRIO JAPONICUS XYLOGLUCAN SACCHARIFICATIONGLYCOSIDE HYDROLASE CARBOHYDRATE BINDING MODULE GREEN FLUPROTEIN
Ref.: FUNCTIONAL AND STRUCTURAL CHARACTERIZATION OF A POT ENDO-XYLOGLUCANASE FROM THE SOIL SAPROPHYTE CELLVIB JAPONICUS UNRAVELS THE FIRST STEP OF XYLOGLUCAN DEG FEBS J. V. 283 1701 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC XYS BGC GAL XYS BGC XYS GAL A:1768;
Valid;
none;
submit data
1387.21 n/a O(CC1...
K A:1785;
A:1784;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
BR A:1767;
Invalid;
none;
submit data
79.904 Br [Br-]
BGC BGC BGC XYS BGC XYS GAL A:1671;
Valid;
none;
submit data
1092.95 n/a O(CC1...
EDO A:1783;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FKS 1.99 Å EC: 3.2.1.- UNRAVELING THE FIRST STEP OF XYLOGLUCAN DEGRADATION BY THE S SAPROPHYTE CELLVIBRIO JAPONICUS THROUGH THE FUNCTIONAL AND S TRUCTURAL CHARACTERIZATION OF A POTENT GH74 ENDO-XYLOGLUCA CELLVIBRIO JAPONICUS HYDROLASE CELLVIBRIO JAPONICUS XYLOGLUCAN SACCHARIFICATIONGLYCOSIDE HYDROLASE CARBOHYDRATE BINDING MODULE GREEN FLUPROTEIN
Ref.: FUNCTIONAL AND STRUCTURAL CHARACTERIZATION OF A POT ENDO-XYLOGLUCANASE FROM THE SOIL SAPROPHYTE CELLVIB JAPONICUS UNRAVELS THE FIRST STEP OF XYLOGLUCAN DEG FEBS J. V. 283 1701 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5FKS - BGC BGC BGC XYS BGC 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 17 families.
1 5FKS - BGC BGC BGC XYS BGC 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 11 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: BGC BGC XYS BGC GAL XYS BGC XYS GAL; Similar ligands found: 98
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BGC BGC XYS BGC XYS XYS GAL 1 1
2 GAL XYS XYS BGC BGC BGC XYS GAL BGC 1 1
3 BGC BGC XYS BGC GAL XYS BGC XYS GAL 1 1
4 GAL BGC BGC BGC XYS XYS 1 1
5 GLC BGC BGC XYS BGC XYS XYS GAL 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 BGC XYS BGC XYS XYS 0.848101 1
11 GLC BGC BGC XYS BGC XYS XYS 0.848101 1
12 BGC BGC XYS BGC XYS BGC XYS 0.848101 1
13 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.814815 1
14 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.814815 1
15 BGC BGC BGC XYS BGC BGC 0.814815 1
16 BGC BGC XYS BGC 0.765432 1
17 GAL BGC BGC XYS 0.7625 1
18 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
19 BMA BMA GLA BMA BMA 0.593023 0.942857
20 GLC GLC GLC BGC 0.581395 0.942857
21 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
22 GLC BGC BGC BGC BGC 0.518519 0.942857
23 CT3 0.518519 0.942857
24 BGC BGC BGC 0.518519 0.942857
25 BGC GLC GLC GLC 0.518519 0.942857
26 MTT 0.518519 0.942857
27 BGC BGC BGC BGC BGC BGC 0.518519 0.942857
28 BGC BGC GLC 0.518519 0.942857
29 MAN BMA BMA BMA BMA BMA 0.518519 0.942857
30 MAN MAN BMA BMA BMA BMA 0.518519 0.942857
31 BGC GLC GLC 0.518519 0.942857
32 CEY 0.518519 0.942857
33 BMA MAN BMA 0.518519 0.942857
34 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
35 B4G 0.518519 0.942857
36 GLC BGC BGC 0.518519 0.942857
37 MT7 0.518519 0.942857
38 BGC BGC BGC BGC BGC 0.518519 0.942857
39 GLA GAL BGC 0.518519 0.942857
40 CTT 0.518519 0.942857
41 BMA BMA BMA BMA BMA BMA 0.518519 0.942857
42 BMA BMA BMA BMA BMA 0.518519 0.942857
43 GLC GLC BGC 0.518519 0.942857
44 GLA GAL GLC 0.518519 0.942857
45 CE6 0.518519 0.942857
46 MAN BMA BMA 0.518519 0.942857
47 CEX 0.518519 0.942857
48 GLC GLC GLC GLC GLC 0.518519 0.942857
49 DXI 0.518519 0.942857
50 GLC BGC GLC 0.518519 0.942857
51 BGC GLC GLC GLC GLC 0.518519 0.942857
52 CE8 0.518519 0.942857
53 CE5 0.518519 0.942857
54 BGC BGC BGC BGC 0.518519 0.942857
55 GAL GAL GAL 0.518519 0.942857
56 BGC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
57 GLC GAL GAL 0.518519 0.942857
58 BMA BMA BMA 0.518519 0.942857
59 BGC BGC BGC GLC 0.518519 0.942857
60 CTR 0.518519 0.942857
61 MAN BMA BMA BMA BMA 0.518519 0.942857
62 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
63 GLC BGC BGC BGC 0.518519 0.942857
64 MLR 0.518519 0.942857
65 GLC BGC BGC BGC BGC BGC 0.518519 0.942857
66 GLA GAL 0.506329 0.942857
67 CBI 0.506329 0.942857
68 N9S 0.506329 0.942857
69 LAT 0.506329 0.942857
70 CBK 0.506329 0.942857
71 MAB 0.506329 0.942857
72 BGC BMA 0.506329 0.942857
73 GLC GAL 0.506329 0.942857
74 B2G 0.506329 0.942857
75 GAL BGC 0.506329 0.942857
76 GLA GLA 0.506329 0.942857
77 BMA GAL 0.506329 0.942857
78 BGC GAL 0.506329 0.942857
79 MAL 0.506329 0.942857
80 LBT 0.506329 0.942857
81 BMA BMA 0.46988 0.916667
82 BGC BGC 0.46988 0.916667
83 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
84 XYT 0.460674 0.733333
85 GLA GAL GAL 0.454545 0.942857
86 ABD 0.436893 0.717391
87 BMA MAN MAN MAN MAN 0.418367 0.942857
88 MAN MAN MAN MAN MAN MAN MAN 0.413462 0.942857
89 MAN BMA MAN 0.413043 0.942857
90 8B7 0.410526 0.916667
91 FUC GAL GLC 0.410526 0.916667
92 LAT FUC 0.410526 0.916667
93 GLC GLC XYP 0.410526 0.942857
94 GLC GAL FUC 0.410526 0.916667
95 BGC GAL FUC 0.410526 0.916667
96 MAN MAN MAN BMA MAN 0.405941 0.942857
97 LAT GLA 0.404762 0.942857
98 G2F BGC BGC BGC BGC BGC 0.404255 0.825
Ligand no: 2; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar ligands found: 108
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL BGC BGC BGC XYS BGC XYS 1 1
2 BGC BGC BGC XYS BGC XYS GAL 1 1
3 GLC BGC BGC XYS BGC XYS XYS GAL 0.949367 1
4 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.949367 1
5 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.949367 1
6 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.949367 1
7 GAL BGC BGC BGC XYS XYS 0.949367 1
8 BGC BGC BGC XYS GAL 0.906667 1
9 BGC BGC BGC XYS BGC BGC 0.857143 1
10 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.857143 1
11 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.857143 1
12 BGC BGC XYS BGC XYS GAL 0.807229 0.972222
13 GAL BGC BGC XYS 0.802632 1
14 BGC BGC BGC XYS BGC XYS XYS 0.797468 1
15 GLC BGC BGC XYS BGC XYS XYS 0.797468 1
16 BGC BGC XYS BGC XYS BGC XYS 0.797468 1
17 BGC BGC XYS BGC 0.716049 1
18 BMA BMA GLA BMA BMA 0.621951 0.942857
19 NBG BGC BGC XYS BGC XYS XYS 0.578947 0.744681
20 BGC BGC GLC 0.545455 0.942857
21 MAN MAN BMA BMA BMA BMA 0.545455 0.942857
22 MAN BMA BMA 0.545455 0.942857
23 GLC BGC BGC BGC 0.545455 0.942857
24 GLC BGC BGC BGC BGC 0.545455 0.942857
25 MAN BMA BMA BMA BMA 0.545455 0.942857
26 BGC BGC BGC 0.545455 0.942857
27 BGC BGC BGC GLC 0.545455 0.942857
28 MLR 0.545455 0.942857
29 GLC BGC BGC BGC BGC BGC 0.545455 0.942857
30 BGC GLC GLC GLC 0.545455 0.942857
31 GLA GAL BGC 0.545455 0.942857
32 CT3 0.545455 0.942857
33 GLA GAL GLC 0.545455 0.942857
34 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.545455 0.942857
35 CEY 0.545455 0.942857
36 MAN BMA BMA BMA BMA BMA 0.545455 0.942857
37 BMA MAN BMA 0.545455 0.942857
38 B4G 0.545455 0.942857
39 GLC BGC BGC 0.545455 0.942857
40 MT7 0.545455 0.942857
41 BGC BGC BGC BGC BGC 0.545455 0.942857
42 GLC GLC BGC 0.545455 0.942857
43 BMA BMA BMA BMA BMA BMA 0.545455 0.942857
44 CTT 0.545455 0.942857
45 BGC GLC GLC 0.545455 0.942857
46 BGC BGC BGC BGC BGC BGC 0.545455 0.942857
47 BMA BMA BMA BMA BMA 0.545455 0.942857
48 GAL GAL GAL 0.545455 0.942857
49 GLC BGC GLC 0.545455 0.942857
50 CE6 0.545455 0.942857
51 CE5 0.545455 0.942857
52 BGC BGC BGC BGC 0.545455 0.942857
53 CE8 0.545455 0.942857
54 BGC GLC GLC GLC GLC 0.545455 0.942857
55 BGC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
56 DXI 0.545455 0.942857
57 GLC GLC GLC GLC GLC 0.545455 0.942857
58 BMA BMA BMA 0.545455 0.942857
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
60 CTR 0.545455 0.942857
61 GLC GAL GAL 0.545455 0.942857
62 MTT 0.545455 0.942857
63 CEX 0.545455 0.942857
64 GLC GLC GLC BGC 0.534884 0.942857
65 BMA GAL 0.533333 0.942857
66 B2G 0.533333 0.942857
67 GLA GAL 0.533333 0.942857
68 LBT 0.533333 0.942857
69 MAB 0.533333 0.942857
70 N9S 0.533333 0.942857
71 BGC BMA 0.533333 0.942857
72 CBI 0.533333 0.942857
73 MAL 0.533333 0.942857
74 CBK 0.533333 0.942857
75 LAT 0.533333 0.942857
76 GAL BGC 0.533333 0.942857
77 GLA GLA 0.533333 0.942857
78 GLC GAL 0.533333 0.942857
79 BGC GAL 0.533333 0.942857
80 BMA BMA 0.493671 0.916667
81 BGC BGC 0.493671 0.916667
82 BGC BGC BGC BGC BGC BGC BGC BGC 0.488372 0.942857
83 GLO BGC BGC XYS BGC XYS XYS 0.481132 0.972222
84 GLA GAL GAL 0.47619 0.942857
85 ABD 0.454545 0.717391
86 XYT 0.448276 0.733333
87 GLC GLC XYP 0.428571 0.942857
88 GLC GAL FUC 0.428571 0.916667
89 8B7 0.428571 0.916667
90 FUC GAL GLC 0.428571 0.916667
91 BGC GAL FUC 0.428571 0.916667
92 LAT FUC 0.428571 0.916667
93 LAT GLA 0.425 0.942857
94 G2F BGC BGC BGC BGC BGC 0.422222 0.825
95 BMA MAN MAN MAN MAN 0.421053 0.942857
96 MAN BMA MAN 0.41573 0.942857
97 GAL BGC NAG GAL 0.414141 0.702128
98 GLA EGA 0.411765 0.891892
99 AHR XYS XYS 0.408602 0.918919
100 BGC GLA GAL FUC 0.408163 0.916667
101 GAL NGA GLA BGC GAL 0.407767 0.702128
102 GLC GLC G6D ACI GLC GLC GLC 0.407407 0.73913
103 BMA BMA BMA BMA 0.406593 0.888889
104 NGA GAL BGC 0.40625 0.702128
105 ARE 0.405405 0.702128
106 AAO 0.405405 0.702128
107 GLC GLC XYS 0.404255 0.916667
108 GAL FUC 0.4 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FKS; Ligand: BGC BGC XYS BGC GAL XYS BGC 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: 5fks.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FKS; Ligand: BGC BGC BGC XYS BGC 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: 5fks.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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