Receptor
PDB id Resolution Class Description Source Keywords
5D9P 1.8 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PBGH5A, A GLYCOSIDE HYDROLASE FAMILY 5 FROM PREVOTELLA BRYANTII B14, IN COMPLEX WITH AN INHIBITORYB ROMOACETYLGLYCOSYLAMINE DERIVATIVE OF 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:401;
A:401;
 Part of Protein;
Invalid;
 none;
none;
 submit data
40.078 Ca [Ca+2...
NBG BGC BGC XYS BGC XYS XYS F:1;
C:1;
D:1;
E:1;
 Invalid;
Valid;
Invalid;
Valid;
 none;
none;
none;
none;
 submit data
1103.98 n/a O=C(N...
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: NBG BGC BGC XYS BGC XYS XYS; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 NBG BGC BGC XYS BGC XYS XYS 1 1
2 BGC BGC BGC XYS BGC XYS XYS 0.710843 0.744681
3 BGC BGC GLC BGC XYS BGC XYS XYS 0.695122 0.729167
4 BGC BGC BGC XYS BGC XYS 0.639535 0.744681
5 BGC BGC BGC XYS 0.635294 0.744681
6 BGC BGC BGC XYS XYS GAL 0.630435 0.729167
7 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.625 0.744681
8 BGC BGC BGC BGC BGC XYS 0.625 0.744681
9 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.625 0.744681
10 BGC BGC BGC XYS BGC XYS XYS GAL 0.621053 0.744681
11 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.621053 0.744681
12 BGC BGC XYS BGC XYS XYS GAL 0.617021 0.744681
13 GLC GLC XYS XYS 0.609756 0.723404
14 BGC BGC BGC XYS BGC XYS GAL 0.578947 0.744681
15 BGC BGC XYS XYS GAL 0.574468 0.744681
16 GLO BGC BGC XYS BGC XYS XYS 0.57 0.765957
17 BGC BGC BGC XYS XYS GAL GAL 0.557895 0.744681
18 GLC GLC GLC 0.47191 0.708333
19 NAG GAL BGC GAL 0.458333 0.957447
20 BGC BGC XYS GAL 0.457447 0.744681
21 NAG G6S 0.442105 0.703125
22 MAN BMA BMA 0.436782 0.708333
23 TVD GAL 0.436782 0.882353
24 GLC GLC GLC GLC GLC 0.434783 0.702128
25 BGC GLC GLC GLC 0.434783 0.702128
26 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.430108 0.702128
27 BMA BMA BMA BMA GLA 0.430108 0.702128
28 NAG BMA 0.422222 0.9
29 BGC GLC GLC 0.422222 0.702128
30 BMA BMA BMA BMA GLA BMA GLA 0.411765 0.693878
Similar Ligands (3D)
Ligand no: 1; Ligand: NBG 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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