Receptor
PDB id Resolution Class Description Source Keywords
4W8B 1.15 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF XEG5B, A GH5 XYLOGLUCAN-SPECIFIC BETA-1 GLUCANASE FROM RUMINAL METAGENOMIC LIBRARY, IN COMPLEX WITH UNCULTURED BACTERIUM GLYCOSIDE HYDROLASE CELL WALL DEGRADING ENZYME GH5 FAMILYHYDROLASE
Ref.: STRUCTURAL BASIS FOR XYLOGLUCAN SPECIFICITY AND ALPHA-D-XYLP(1 6)-D-GLCP RECOGNITION AT THE -1 SUBS WITHIN THE GH5 FAMILY. BIOCHEMISTRY V. 54 1930 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC XYS XYS C:1;
 Valid;
 none;
 submit data
n/a n/a
SO4 A:610;
A:611;
A:609;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GOL A:612;
A:613;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GLC BGC BGC XYS BGC XYS XYS GAL B:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4W8B 1.15 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF XEG5B, A GH5 XYLOGLUCAN-SPECIFIC BETA-1 GLUCANASE FROM RUMINAL METAGENOMIC LIBRARY, IN COMPLEX WITH UNCULTURED BACTERIUM GLYCOSIDE HYDROLASE CELL WALL DEGRADING ENZYME GH5 FAMILYHYDROLASE
Ref.: STRUCTURAL BASIS FOR XYLOGLUCAN SPECIFICITY AND ALPHA-D-XYLP(1 6)-D-GLCP RECOGNITION AT THE -1 SUBS WITHIN THE GH5 FAMILY. BIOCHEMISTRY V. 54 1930 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4W8B - GLC BGC BGC XYS BGC XYS 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 271 families.
1 4W8B - GLC BGC BGC XYS BGC XYS 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 XYS; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS XYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 3
No: Ligand Similarity coefficient
1 GLC BGC BGC XYS BGC XYS XYS GAL 1.0000
2 BGC BGC BGC XYS BGC XYS XYS GAL 0.9020
3 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.8897
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4W8B; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; 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: 4w8b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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