Receptor
PDB id Resolution Class Description Source Keywords
2XVL 2.3 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF ALPHA-XYLOSIDASE (GH31) FROM CELLVIBRIO JAPONICUS IN COMPLEX WITH PENTAERYTHRITOL P ROPOXYLATE (5 4 PO OH) CELLVIBRIO JAPONICUS HYDROLASE GLYCOSYL HYDROLASE FAMILY 31 (BETA/ALPHA)8 BARRE
Ref.: STRUCTURAL AND ENZYMATIC CHARACTERISATION OF A GLYC HYDROLASE FAMILY 31 ALPHA-XYLOSIDASE FROM CELLVIBRI JAPONICUS INVOLVED IN XYLOGLUCAN SACCHARIFICATION. BIOCHEM.J. V. 436 567 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1995;
A:1996;
A:1997;
A:1998;
A:1999;
A:2000;
A:2002;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
NI A:1989;
A:1990;
A:1991;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
58.693 Ni [Ni+2...
PXN A:2001;
Valid;
none;
submit data
368.463 C17 H36 O8 C[C@H...
SO4 A:1992;
A:1993;
A:1994;
Invalid;
Invalid;
Invalid;
none;
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
2XVL 2.3 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF ALPHA-XYLOSIDASE (GH31) FROM CELLVIBRIO JAPONICUS IN COMPLEX WITH PENTAERYTHRITOL P ROPOXYLATE (5 4 PO OH) CELLVIBRIO JAPONICUS HYDROLASE GLYCOSYL HYDROLASE FAMILY 31 (BETA/ALPHA)8 BARRE
Ref.: STRUCTURAL AND ENZYMATIC CHARACTERISATION OF A GLYC HYDROLASE FAMILY 31 ALPHA-XYLOSIDASE FROM CELLVIBRI JAPONICUS INVOLVED IN XYLOGLUCAN SACCHARIFICATION. BIOCHEM.J. V. 436 567 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2XVL - PXN C17 H36 O8 C[C@H](COC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2XVL - PXN C17 H36 O8 C[C@H](COC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2XVL - PXN C17 H36 O8 C[C@H](COC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PXN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 4TD 1 1
2 PXN 1 1
3 DQW 0.5 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: PXN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XVL; Ligand: PXN; 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: 2xvl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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