Receptor
PDB id Resolution Class Description Source Keywords
2JEN 1.4 Å EC: 3.2.1.4 FAMILY 12 XYLOGLUCANASE FROM BACILLUS LICHENIFORMIS IN COMPL LIGAND BACILLUS LICHENIFORMIS PLANT CELL WALL GLYCOSIDASE XYLOGLUCANASE HYDROLASE FAMI
Ref.: CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURES O DISTINCT BACTERIAL XYLOGLUCANASES FROM FAMILIES GH5 GH12. J.BIOL.CHEM. V. 282 19177 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIO A:1262;
A:1263;
Invalid;
Invalid;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
GLC GLC BGC XYS BGC XYS B:1;
Valid;
none;
submit data
n/a n/a
GLC GLC XYS XYS A:1273;
Valid;
none;
submit data
606.527 n/a O(CC1...
GOL A:1264;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1265;
A:1266;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JEN 1.4 Å EC: 3.2.1.4 FAMILY 12 XYLOGLUCANASE FROM BACILLUS LICHENIFORMIS IN COMPL LIGAND BACILLUS LICHENIFORMIS PLANT CELL WALL GLYCOSIDASE XYLOGLUCANASE HYDROLASE FAMI
Ref.: CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURES O DISTINCT BACTERIAL XYLOGLUCANASES FROM FAMILIES GH5 GH12. J.BIOL.CHEM. V. 282 19177 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 2JEN - GLC GLC BGC XYS BGC XYS 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 43 families.
1 2JEN - GLC GLC BGC XYS BGC XYS n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 2JEN - GLC GLC BGC XYS BGC XYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC BGC XYS BGC XYS; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC GLC XYS XYS; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC XYS XYS 1 1
2 BGC BGC BGC XYS BGC XYS XYS 0.823529 0.971429
3 BGC BGC XYS XYS GAL 0.780822 0.971429
4 BGC BGC BGC XYS 0.779412 0.971429
5 BGC BGC XYS BGC XYS XYS GAL 0.74026 0.971429
6 BGC BGC BGC XYS BGC XYS 0.732394 0.971429
7 BGC BGC GLC BGC XYS BGC XYS XYS 0.728571 0.944444
8 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.712329 0.971429
9 BGC BGC BGC BGC BGC XYS 0.712329 0.971429
10 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.712329 0.971429
11 BGC BGC BGC XYS BGC XYS XYS GAL 0.7 0.971429
12 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.7 0.971429
13 BGC BGC BGC XYS BGC XYS GAL 0.65 0.971429
14 BGC BGC XYS GAL 0.630137 0.971429
15 BGC BGC BGC XYS XYS GAL 0.62963 0.944444
16 BGC BGC BGC XYS XYS GAL GAL 0.625 0.971429
17 NBG BGC BGC XYS BGC XYS XYS 0.609756 0.723404
18 GLO BGC BGC XYS BGC XYS XYS 0.561798 0.944444
19 BGC GLC GLC 0.549296 0.914286
20 GLC GLC GLC 0.547945 0.916667
21 BGC GLC GLC GLC 0.52 0.914286
22 GLC GLC GLC GLC GLC 0.52 0.914286
23 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.474359 0.914286
24 BMA BMA BMA BMA GLA 0.474359 0.914286
25 MAN BMA BMA 0.426667 0.916667
26 GLC GLC GLC GLC BGC GLC GLC 0.422535 0.914286
27 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.422535 0.914286
28 MAN BMA BMA BMA BMA BMA BMA 0.422535 0.914286
29 BGC BGC BGC BGC 0.414634 0.914286
30 BGC GLC GLC GLC GLC GLC 0.408451 0.914286
31 BGC GLC GLC GLC GLC 0.408451 0.914286
32 BMA MAN MAN 0.402597 0.914286
33 GLC GLC FRU 0.4 0.846154
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC BGC XYS BGC XYS; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC GLC BGC XYS BGC XYS 0.9998
Ligand no: 2; Ligand: GLC GLC XYS XYS; 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 : 2JEN; Ligand: GLC GLC BGC XYS BGC XYS; 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: 2jen.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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