Receptor
PDB id Resolution Class Description Source Keywords
2JEQ 1.94 Å EC: 3.2.1.151 FAMILY 5 XYLOGLUCANASE FROM PAENIBACILLUS PABULI IN COMPLEX LIGAND PAENIBACILLUS PABULI FAMILY 5 XYLOGLUCANASE PLANT CELL WALL HYDROLASE
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
BGC BGC BGC XYS BGC XYS GAL B:1;
 Valid;
 none;
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1092.95 n/a O(CC1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JEQ 1.94 Å EC: 3.2.1.151 FAMILY 5 XYLOGLUCANASE FROM PAENIBACILLUS PABULI IN COMPLEX LIGAND PAENIBACILLUS PABULI FAMILY 5 XYLOGLUCANASE PLANT CELL WALL HYDROLASE
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 6 families.
1 2JEQ - 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 6 families.
1 2JEQ - BGC BGC BGC XYS BGC XYS GAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4YHG - BGC BGC BGC n/a n/a
2 4W8B - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
3 2JEQ - BGC BGC BGC XYS BGC XYS GAL n/a n/a
4 5OYE - BGC BGC BGC XYS BGC XYS n/a n/a
5 6HA9 - NFG BGC BGC XYS BGC 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
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS 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 : 2JEQ; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2jeq.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZT BGC BGC BGC BGC 45.3165
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