Receptor
PDB id Resolution Class Description Source Keywords
1XNK 1.55 Å EC: 3.2.1.8 BETA-1,4-XYLANASE FROM CHAETOMIUM THERMOPHILUM COMPLEXED WIT THIOXYLOPENTOSIDE CHAETOMIUM THERMOPHILUM XYLANASE GLYCOSIDE HYDROLASE FAMILY 11 GLYCOSIDASE THIOISULPHUR CONTAINING INHIBITOR HYDROLASE
Ref.: DETERMINATION OF THIOXYLO-OLIGOSACCHARIDE BINDING T 11 XYLANASES USING ELECTROSPRAY IONIZATION FOURIER ION CYCLOTRON RESONANCE MASS SPECTROMETRY AND X-RAY CRYSTALLOGRAPHY FEBS J. V. 272 2317 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1001;
B:1000;
B:1002;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
Z4U TWY TWY C:1;
D:1;
 Valid;
Valid;
 none;
none;
 Ka = 10900 M^-1
476.588 n/a S(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XNK 1.55 Å EC: 3.2.1.8 BETA-1,4-XYLANASE FROM CHAETOMIUM THERMOPHILUM COMPLEXED WIT THIOXYLOPENTOSIDE CHAETOMIUM THERMOPHILUM XYLANASE GLYCOSIDE HYDROLASE FAMILY 11 GLYCOSIDASE THIOISULPHUR CONTAINING INHIBITOR HYDROLASE
Ref.: DETERMINATION OF THIOXYLO-OLIGOSACCHARIDE BINDING T 11 XYLANASES USING ELECTROSPRAY IONIZATION FOURIER ION CYCLOTRON RESONANCE MASS SPECTROMETRY AND X-RAY CRYSTALLOGRAPHY FEBS J. V. 272 2317 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1XNK Ka = 10900 M^-1 Z4U TWY TWY 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 32 families.
1 1XNK Ka = 10900 M^-1 Z4U TWY TWY n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1XNK Ka = 10900 M^-1 Z4U TWY TWY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Z4U TWY TWY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 Z4U TWY TWY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: Z4U TWY TWY; Similar ligands found: 1
No: Ligand Similarity coefficient
1 XYP XYP XYP 0.9006
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XNK; Ligand: Z4U TWY TWY; 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: 1xnk.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XNK; Ligand: Z4U TWY TWY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xnk.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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