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 C HARACTERIZATION OF A POTENT GH74 ENDO-XYLOGLUCANASE 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
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 B:1;
 Valid;
 none;
 submit data
1092.95 n/a O(CC1...
EDO A:1783;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
BGC BGC BGC XYS BGC XYS XYS GAL GAL C: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
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 C HARACTERIZATION OF A POTENT GH74 ENDO-XYLOGLUCANASE 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 (4)
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
2 6P2O - BGC BGC BGC XYS BGC XYS XYS GAL GAL n/a n/a
3 6MGL - BGC BGC BGC XYS BGC XYS XYS GAL n/a n/a
4 6MGK - BGC 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 214 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 (2D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS GAL 1 1
2 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.949367 1
3 BGC BGC BGC XYS BGC XYS XYS GAL 0.949367 1
4 BGC BGC XYS BGC XYS XYS GAL 0.9 1
5 BGC BGC BGC XYS BGC XYS 0.88 1
6 BGC BGC BGC XYS XYS GAL GAL 0.873418 1
7 BGC BGC BGC BGC BGC XYS 0.857143 1
8 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.857143 1
9 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.857143 1
10 BGC BGC XYS XYS GAL 0.85 1
11 BGC BGC BGC XYS XYS GAL 0.807229 0.972222
12 BGC BGC XYS GAL 0.802632 1
13 BGC BGC BGC XYS BGC XYS XYS 0.797468 1
14 BGC BGC BGC XYS 0.716049 1
15 BGC BGC GLC BGC XYS BGC XYS XYS 0.674699 0.972222
16 GLC GLC XYS XYS 0.65 0.971429
17 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.621951 0.942857
18 BMA BMA BMA BMA GLA 0.621951 0.942857
19 NBG BGC BGC XYS BGC XYS XYS 0.578947 0.744681
20 GLC GLC GLC GLC BGC GLC GLC 0.545455 0.942857
21 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.545455 0.942857
22 MAN BMA BMA BMA BMA BMA BMA 0.545455 0.942857
23 MAN BMA BMA 0.54321 0.944444
24 BGC GLC GLC GLC 0.534884 0.942857
25 GLC GLC GLC GLC GLC 0.534884 0.942857
26 BGC GLC GLC 0.52381 0.942857
27 GLC GLC GLC 0.488636 0.944444
28 BGC BGC BGC BGC BGC BGC BGC BGC 0.488372 0.942857
29 GLO BGC BGC XYS BGC XYS XYS 0.481132 0.972222
30 BGC GAL GLA 0.47619 0.942857
31 BMA BMA BMA BMA GLA BMA GLA 0.44 0.868421
32 BGC GAL NGA GAL 0.43299 0.702128
33 GLC GAL BGC FUC 0.428571 0.916667
34 BGC GAL FUC 0.428571 0.916667
35 BGC GLA GAL 0.425 0.942857
36 G2F BGC BGC BGC BGC BGC 0.422222 0.825
37 BGC GLC AGL GLC GLC GLC 0.421569 0.6875
38 G2F SHG BGC BGC 0.420455 0.846154
39 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.41573 0.971429
40 GLC GLC AC1 0.41573 0.711111
41 BMA MAN MAN 0.41573 0.942857
42 NAG GAL BGC GAL 0.414141 0.702128
43 GLC GLC AGL HMC 0.412844 0.6875
44 BGC GAL NAG NAG GAL GAL 0.409091 0.66
45 XYS XYS AHR 0.408602 0.918919
46 BGC GAL FUC GLA 0.408163 0.916667
47 BGC GAL GLA NGA GAL 0.407767 0.702128
48 GLC GLC GLC G6D ACI GLC GLC 0.407407 0.73913
49 BMA BMA BMA BMA 0.406593 0.888889
50 MAN MAN BMA 0.406593 0.944444
51 BGC GAL NGA 0.40625 0.702128
52 AAO 0.405405 0.702128
53 ARE 0.405405 0.702128
54 XYS GLC GLC 0.404255 0.916667
55 FUC GAL 0.4 0.888889
Ligand no: 2; Ligand: BGC BGC BGC XYS BGC XYS XYS GAL GAL; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
2 BGC BGC BGC XYS BGC XYS XYS GAL 1 1
3 BGC BGC XYS BGC XYS XYS GAL 0.95 1
4 BGC BGC BGC XYS BGC XYS GAL 0.949367 1
5 BGC BGC BGC XYS XYS GAL GAL 0.924051 1
6 BGC BGC XYS XYS GAL 0.9 1
7 BGC BGC BGC XYS XYS GAL 0.855422 0.972222
8 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
9 BGC BGC BGC XYS BGC XYS 0.835443 1
10 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.814815 1
11 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.814815 1
12 BGC BGC BGC BGC BGC XYS 0.814815 1
13 BGC BGC BGC XYS 0.765432 1
14 BGC BGC XYS GAL 0.7625 1
15 BGC BGC GLC BGC XYS BGC XYS XYS 0.722892 0.972222
16 GLC GLC XYS XYS 0.7 0.971429
17 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
18 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.593023 0.942857
19 BMA BMA BMA BMA GLA 0.593023 0.942857
20 BGC GLC GLC GLC 0.581395 0.942857
21 GLC GLC GLC GLC GLC 0.581395 0.942857
22 BGC GLC GLC 0.571429 0.942857
23 GLC GLC GLC 0.534091 0.944444
24 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
25 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
26 MAN BMA BMA BMA BMA BMA BMA 0.518519 0.942857
27 GLC GLC GLC GLC BGC GLC GLC 0.518519 0.942857
28 MAN BMA BMA 0.517647 0.944444
29 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
30 BGC GAL GLA 0.454545 0.942857
31 BMA BMA BMA BMA GLA BMA GLA 0.423077 0.868421
32 BGC BGC BGC BGC 0.42268 0.942857
33 BGC GAL NAG NAG GAL GAL 0.419643 0.66
34 BGC GAL NGA GAL 0.415842 0.702128
35 MAN MAN MAN MAN MAN MAN MAN 0.413462 0.942857
36 BMA MAN MAN 0.413043 0.942857
37 BGC GAL FUC 0.410526 0.916667
38 GLC GAL BGC FUC 0.410526 0.916667
39 GLC GLC FRU 0.41 0.871795
40 BGC GLC AGL GLC GLC GLC 0.40566 0.6875
41 BGC GLA GAL 0.404762 0.942857
42 G2F BGC BGC BGC BGC BGC 0.404255 0.825
43 G2F SHG BGC BGC 0.402174 0.846154
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: BGC BGC BGC XYS BGC XYS XYS GAL GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; 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: 1) in the query (biounit: 5fks.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FKS; Ligand: BGC BGC BGC XYS BGC XYS XYS GAL 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 16 residues
No: Leader PDB Ligand Sequence Similarity
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