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 KEY RUMINAL BACTE PREVOTELLA BRYANTII B14. J.BIOL.CHEM. 2015
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 A:402;
A:409;
B:402;
B:409;
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 KEY RUMINAL BACTE PREVOTELLA BRYANTII B14. J.BIOL.CHEM. 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 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 250 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 204 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
Ligand no: 1; Ligand: NBG BGC BGC XYS BGC XYS XYS; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 NBG BGC BGC XYS BGC XYS XYS 1 1
2 BGC BGC XYS BGC XYS BGC XYS 0.710843 0.744681
3 GLC BGC BGC XYS BGC XYS XYS 0.710843 0.744681
4 BGC BGC BGC XYS BGC XYS XYS 0.710843 0.744681
5 BGC BGC XYS BGC 0.635294 0.744681
6 BGC BGC XYS BGC XYS GAL 0.630435 0.729167
7 BGC BGC BGC XYS BGC BGC 0.625 0.744681
8 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.625 0.744681
9 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.625 0.744681
10 GLC BGC BGC XYS BGC XYS XYS GAL 0.621053 0.744681
11 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.621053 0.744681
12 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.621053 0.744681
13 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.621053 0.744681
14 GAL BGC BGC BGC XYS XYS 0.621053 0.744681
15 GAL BGC BGC BGC XYS BGC XYS 0.578947 0.744681
16 BGC BGC BGC XYS BGC XYS GAL 0.578947 0.744681
17 GLO BGC BGC XYS BGC XYS XYS 0.57 0.765957
18 BGC BGC BGC XYS GAL 0.505263 0.744681
19 GAL BGC NAG GAL 0.458333 0.957447
20 GAL BGC BGC XYS 0.457447 0.744681
21 NAG NAG BMA MAN NAG 0.446429 0.851852
22 G6S NAG 0.442105 0.703125
23 8VZ 0.436782 0.882353
24 GLC GLC GLC BGC 0.434783 0.702128
25 BMA BMA GLA BMA BMA 0.430108 0.702128
26 NAG BMA 0.422222 0.9
27 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.405172 0.92
28 GAL NAG GAL BGC 0.403846 0.958333
29 GAL NAG GAL 0.4 0.958333
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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