Receptor
PDB id Resolution Class Description Source Keywords
2CN3 1.95 Å EC: 3.2.1.151 CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE CLOSTRIDIUM THERMOCELLUM GLYCOSYLHYDROLASE HYDROLASE FAMILY GH74 XYLOGLUCANASE
Ref.: CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE, XGH74A, REVEAL THE STRUCTURAL BASIS XYLOGLUCAN RECOGNITION AND DEGRADATION J.BIOL.CHEM. V. 281 24922 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1778;
B:1777;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC BGC BGC XYS BGC XYS XYS GAL F:1;
E:1;
C:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
n/a n/a
GLC BGC BGC XYS BGC XYS XYS GAL GAL D:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CN3 1.95 Å EC: 3.2.1.151 CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE CLOSTRIDIUM THERMOCELLUM GLYCOSYLHYDROLASE HYDROLASE FAMILY GH74 XYLOGLUCANASE
Ref.: CRYSTAL STRUCTURES OF CLOSTRIDIUM THERMOCELLUM XYLOGLUCANASE, XGH74A, REVEAL THE STRUCTURAL BASIS XYLOGLUCAN RECOGNITION AND DEGRADATION J.BIOL.CHEM. V. 281 24922 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2CN3 - 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 6 families.
1 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6P2L - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
2 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
3 6P2M - BGC BGC BGC XYS XYS GAL GAL n/a n/a
4 6P2O - BGC BGC BGC XYS BGC XYS XYS GAL GAL n/a n/a
5 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
6 6MGL - BGC BGC BGC XYS BGC XYS XYS GAL n/a n/a
7 6MGK - BGC BGC XYS XYS GAL n/a n/a
8 2EBS - BGC BGC BGC XYS BGC XYS XYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; 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
Ligand no: 2; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL GAL; Similar ligands found: 2
No: Ligand Similarity coefficient
1 GLC BGC BGC XYS BGC XYS XYS GAL GAL 1.0000
2 GLC BGC BGC XYS BGC XYS XYS GAL 0.8897
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CN3; 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: 2cn3.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CN3; 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: 2) in the query (biounit: 2cn3.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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