Receptor
PDB id Resolution Class Description Source Keywords
3OEB 1.55 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE Q121E MUTANT OF C.POLYSACCHAROLYTIC BOUND TO MANNOPENTAOSE CALDANAEROBIUS POLYSACCHAROLYTICUS FAMILY 16 CBM-1 CARBOHYDRATE BINDING MODULE MANNOPENTAOSEHYDROLASE
Ref.: MUTATIONAL INSIGHTS INTO THE ROLES OF AMINO ACID RE LIGAND BINDING FOR TWO CLOSELY RELATED FAMILY 16 CARBOHYDRATE BINDING MODULES. J.BIOL.CHEM. V. 285 34665 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:200;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MAN BMA BMA BMA BMA B:1;
Valid;
none;
Ka = 6500 M^-1
n/a n/a
SO4 A:300;
A:301;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZEY 2.2 Å EC: 3.-.-.- FAMILY 16 CARBOHYDRATE BINDING MODULE THERMOANAEROBACTERIUM POLYSACCHAROLYTIORGANISM_TAXID: 44256 FAMILY 16 CBM-1 MANNOPENTAOSE COMPLEX GLYCOSIDASE HYDROLAS
Ref.: MOLECULAR BASIS FOR THE SELECTIVITY AND SPECIFICITY LIGAND RECOGNITION BY THE FAMILY 16 CARBOHYDRATE-BI MODULES FROM THERMOANAEROBACTERIUM POLYSACCHAROLYTI J.BIOL.CHEM. V. 283 12415 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 2ZEY Kd = 153 uM BMA BMA BMA BMA BMA n/a n/a
2 3OEB Ka = 6500 M^-1 MAN BMA BMA BMA BMA n/a n/a
3 3OEA Ka = 416300 M^-1 GLC BGC BGC BGC BGC n/a n/a
4 2ZEX Kd = 406 uM BGC 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 261 families.
1 2ZEY Kd = 153 uM BMA BMA BMA BMA BMA n/a n/a
2 3OEB Ka = 6500 M^-1 MAN BMA BMA BMA BMA n/a n/a
3 3OEA Ka = 416300 M^-1 GLC BGC BGC BGC BGC n/a n/a
4 2ZEX Kd = 406 uM BGC 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 214 families.
1 2ZEY Kd = 153 uM BMA BMA BMA BMA BMA n/a n/a
2 3OEB Ka = 6500 M^-1 MAN BMA BMA BMA BMA n/a n/a
3 3OEA Ka = 416300 M^-1 GLC BGC BGC BGC BGC n/a n/a
4 2ZEX Kd = 406 uM BGC BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN BMA BMA BMA BMA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN BMA BMA BMA BMA; Similar ligands found: 3
No: Ligand Similarity coefficient
1 MAN BMA BMA BMA BMA 1.0000
2 BMA BMA BMA BMA BMA 0.9641
3 BGC BGC BGC BGC BGC 0.8756
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback