Receptor
PDB id Resolution Class Description Source Keywords
1W9W 2.1 Å NON-ENZYME: BINDING STRUCTURE OF A BETA-1,3-GLUCAN BINDING CBM6 FROM BACILLUS HA IN COMPLEX WITH LAMINARIHEXAOSE BACILLUS HALODURANS CARBOHYDRATE-BINDING MODULE LECTIN BETA-GLUCAN CARBOHYDRABINDING GLYCOSIDE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES RECOGNIZE THE NON-REDUCING END OF BETA-1,3-LINKED GLUCANS BY PRES UNIQUE LIGAND BINDING SURFACE J.BIOL.CHEM. V. 280 530 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:900;
A:901;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
BGC BGC GLC BGC BGC BGC B:1;
Valid;
none;
Ka = 290000 M^-1
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W9W 2.1 Å NON-ENZYME: BINDING STRUCTURE OF A BETA-1,3-GLUCAN BINDING CBM6 FROM BACILLUS HA IN COMPLEX WITH LAMINARIHEXAOSE BACILLUS HALODURANS CARBOHYDRATE-BINDING MODULE LECTIN BETA-GLUCAN CARBOHYDRABINDING GLYCOSIDE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES RECOGNIZE THE NON-REDUCING END OF BETA-1,3-LINKED GLUCANS BY PRES UNIQUE LIGAND BINDING SURFACE J.BIOL.CHEM. V. 280 530 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1W9T - XYP XYP n/a n/a
2 1W9W Ka = 290000 M^-1 BGC BGC GLC BGC BGC BGC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1W9T - XYP XYP n/a n/a
2 1W9W Ka = 290000 M^-1 BGC BGC GLC BGC BGC BGC n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2V4V Ka = 1700 M^-1 XYP C5 H10 O5 C1[C@H]([C....
2 1UYX - BGC BGC n/a n/a
3 1UZ0 - BGC BGC BGC BGC n/a n/a
4 1UYZ - XYP XYP XYP XYP n/a n/a
5 1UYY - BGC BGC BGC n/a n/a
6 1UY0 - BGC BGC BGC BGC n/a n/a
7 1W9W Ka = 290000 M^-1 BGC BGC GLC BGC BGC BGC n/a n/a
8 5FUI - APY C6 H8 N2 c1ccnc(c1)....
9 1UY2 - XYP XYP n/a n/a
10 1UXX - XYP XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC BGC GLC BGC BGC BGC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC GLC BGC BGC BGC; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BGC BGC GLC BGC BGC BGC 0.9998
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W9W; Ligand: BGC BGC GLC 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: 1w9w.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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