Receptor
PDB id Resolution Class Description Source Keywords
2D44 2.3 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF ARABINOFURANOSIDASE COMPLEXED WITH ARABINOFURANOSYL-ALPHA-1,2-XYLOBIOSE ASPERGILLUS KAWACHII ARABINOFURANOSYL-ALPHA-1 2-XYLOBIOSE COMPLEX HYDROLASE STGENOMICS
Ref.: THE FAMILY 42 CARBOHYDRATE-BINDING MODULE OF FAMILY ALPHA-L-ARABINOFURANOSIDASE SPECIFICALLY BINDS THE ARABINOFURANOSE SIDE CHAIN OF HEMICELLULOSE BIOCHEM.J. V. 399 503 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG B:1;
 Invalid;
 none;
 submit data
408.404 n/a O=C(N...
XYS XYS AHR D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
414.36 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SXR 1.64 Å EC: 3.2.1.55 E221Q MUTANT OF GH54 A-L-ARABINOFURANOSIDASE SOAKED WITH 4-N A-L-ARABINOFURANOSIDE ASPERGILLUS KAWACHII IFO 4308 MICHAELIS COMPLEX ARABINOFURANOSIDASE GH54 ASPERGILLUS H
Ref.: RATIONAL DESIGN OF MECHANISM-BASED INHIBITORS AND ACTIVITY-BASED PROBES FOR THE IDENTIFICATION OF RET ALPHA-L-ARABINOFURANOSIDASES. J.AM.CHEM.SOC. V. 142 4648 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2D44 - XYS XYS AHR n/a n/a
2 1WD4 - AHR C5 H10 O5 C([C@H]1[C....
3 6SXR - KHP C11 H13 N O7 c1cc(ccc1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2D44 - XYS XYS AHR n/a n/a
2 1WD4 - AHR C5 H10 O5 C([C@H]1[C....
3 6SXR - KHP C11 H13 N O7 c1cc(ccc1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2D44 - XYS XYS AHR n/a n/a
2 1WD4 - AHR C5 H10 O5 C([C@H]1[C....
3 6SXR - KHP C11 H13 N O7 c1cc(ccc1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYS XYS AHR; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS XYS AHR 1 1
2 XYP XYP XYP AHR 0.903226 1
3 XYP XYP AHR XYP 0.676056 1
4 XYP XYP AHR 0.671642 1
5 XYP XYP XYP AHR XYP 0.648649 1
6 XYS AHR XYP XYP XYP 0.60274 1
7 XYP XYP GCV 0.597403 0.8
8 XYP XYP XYP GCV 0.554217 0.8
9 XYP XYP XYP XYP XYP XYP 0.484848 0.888889
10 XYP XYP XYP XYP XYP XYP XYP 0.484848 0.888889
11 XYP XYP XYP XYP XYP 0.484848 0.888889
12 BGC BGC XYS GAL 0.475 0.918919
13 XYP XYP GCV XYP 0.460674 0.8
14 MAN MAN 0.447761 0.864865
15 XYS XYS XYS 0.428571 0.864865
16 XYS GAL FUC 0.419753 0.918919
17 BGC BGC BGC XYS XYS GAL GAL 0.417582 0.918919
18 BGC BGC XYS XYS GAL 0.417582 0.918919
19 MAN BMA BMA 0.413333 0.918919
20 BGC BGC BGC XYS BGC XYS GAL 0.408602 0.918919
21 BGC BGC XYS BGC XYS XYS GAL 0.4 0.918919
Similar Ligands (3D)
Ligand no: 1; Ligand: XYS XYS AHR; Similar ligands found: 4
No: Ligand Similarity coefficient
1 66P 0.8867
2 O74 0.8675
3 FRZ 0.8604
4 855 0.8585
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6SXR; Ligand: KHP; 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: 6sxr.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6SXR; Ligand: KHP; 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: 6sxr.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6SXR; Ligand: KHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6sxr.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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