Receptor
PDB id Resolution Class Description Source Keywords
5D9N 1.86 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PBGH5A, A GLYCOSIDE HYDROLASE FAMILY 5 FROM PREVOTELLA BRYANTII B14, IN COMPLEX WITH THE XYLOGLUCAH EPTASACCHARIDE XXXG PREVOTELLA BRYANTII ENDO-BETA-GLUCANASE/ENDO-XYLOGLUCANASE GLYCOSYL HYDROLASE FMIXED ALPHA-BETA TIM BARREL HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF A MIXED-LINKAGE BETA-GLUCANASE/XYLOGLUCANASE FROM THE KEY RUMINAL BACTEROIDETES PREVOTELLA BRYANTII B14. J.BIOL.CHEM. V. 291 1175 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
A:401;
B:401;
A:402;
A:403;
 Part of Protein;
Invalid;
Invalid;
Part of Protein;
Invalid;
 none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
BGC BGC BGC XYS BGC XYS XYS D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
1062.92 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D9O 1.55 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PBGH5A, A GLYCOSIDE HYDROLASE FAMILY 5 FROM PREVOTELLA BRYANTII B14, E280A MUTANT IN COMPLEX WITH C ELLOTETRAOSE PREVOTELLA BRYANTII ENDO-BETA-GLUCANASE/ENDO-XYLOGLUCANASE GLYCOSYL HYDROLASE FMIXED ALPHA-BETA TIM BARREL HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF A MIXED-LINKAGE BETA-GLUCANASE/XYLOGLUCANASE FROM THE KEY RUMINAL BACTEROIDETES PREVOTELLA BRYANTII B14. J.BIOL.CHEM. V. 291 1175 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC 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 271 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS XYS; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS XYS 1 1
2 BGC BGC BGC XYS BGC XYS 0.9 1
3 BGC BGC BGC XYS 0.898551 1
4 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.875 1
5 BGC BGC BGC BGC BGC XYS 0.875 1
6 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.875 1
7 BGC BGC BGC XYS BGC XYS XYS GAL 0.848101 1
8 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.848101 1
9 GLC GLC XYS XYS 0.823529 0.971429
10 BGC BGC XYS BGC XYS XYS GAL 0.8 1
11 BGC BGC BGC XYS BGC XYS GAL 0.797468 1
12 BGC BGC GLC BGC XYS BGC XYS XYS 0.794521 0.972222
13 BGC BGC BGC XYS XYS GAL GAL 0.772152 1
14 BGC BGC XYS XYS GAL 0.75 1
15 NBG BGC BGC XYS BGC XYS XYS 0.710843 0.744681
16 BGC BGC BGC XYS XYS GAL 0.710843 0.972222
17 GLC GLC GLC GLC GLC 0.631579 0.942857
18 BGC GLC GLC GLC 0.631579 0.942857
19 BMA BMA BMA BMA GLA 0.623377 0.942857
20 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.623377 0.942857
21 BGC GLC GLC 0.621622 0.942857
22 BGC BGC XYS GAL 0.6125 1
23 GLO BGC BGC XYS BGC XYS XYS 0.585106 0.972222
24 MAN BMA BMA BMA BMA BMA BMA 0.541667 0.942857
25 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.541667 0.942857
26 GLC GLC GLC GLC BGC GLC GLC 0.541667 0.942857
27 GLC GLC GLC 0.5375 0.944444
28 MAN BMA BMA 0.5 0.944444
29 BGC BGC BGC BGC BGC BGC BGC BGC 0.481481 0.942857
30 BGC GAL GLA 0.468354 0.942857
31 GLC GLC FRU 0.465909 0.871795
32 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.45679 0.971429
33 BMA BMA BMA BMA 0.445783 0.888889
34 GLC GLC AC1 0.439024 0.711111
35 BGC BGC BGC BGC 0.431818 0.942857
36 BMA BMA BMA BMA GLA BMA GLA 0.431579 0.868421
37 BGC GAL NAG NAG GAL GAL 0.427184 0.66
38 BGC GAL NGA 0.426966 0.702128
39 BGC GAL NGA GAL 0.423913 0.702128
40 BMA MAN MAN 0.421687 0.942857
41 BGC Z9D 0.417722 0.971429
42 BGC GLA GAL 0.413333 0.942857
43 G2F BGC BGC BGC BGC BGC 0.411765 0.825
44 BGC GLC GLC GLC GLC 0.410256 0.942857
45 BGC GLC GLC GLC GLC GLC 0.410256 0.942857
46 G2F SHG BGC BGC 0.409639 0.846154
47 BGC SGA 0.404762 0.634615
48 NAG GAL BGC GAL 0.404255 0.702128
49 BGC GAL FUC 0.402299 0.916667
50 GLC GAL BGC FUC 0.402299 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC 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 : 5D9O; Ligand: BGC BGC BGC BGC; 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: 5d9o.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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