Receptor
PDB id Resolution Class Description Source Keywords
2XZK 1.5 Å EC: 3.2.1.18 THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS ASPERGILLUS FUMIGATUS HYDROLASE
Ref.: THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS. J.BIOL.CHEM. V. 286 10783 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:506;
B:508;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
FKD A:500;
B:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
286.208 C9 H15 F O9 C([C@...
GOL A:503;
B:503;
B:504;
B:505;
B:506;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K99 A:501;
A:502;
B:501;
B:502;
B:509;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
288.199 C9 H14 F2 O8 C([C@...
NA A:505;
B:507;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
NO3 A:504;
Invalid;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XZI 1.45 Å EC: 3.2.1.18 THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS ASPERGILLUS FUMIGATUS HYDROLASE
Ref.: THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS. J.BIOL.CHEM. V. 286 10783 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2XZI - KDM C9 H16 O9 C1[C@@H]([....
2 2XZJ - KFN C9 H14 O8 C1=C(O[C@H....
3 2XZK - K99 C9 H14 F2 O8 C([C@H]([C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 2XZI - KDM C9 H16 O9 C1[C@@H]([....
2 2XZJ - KFN C9 H14 O8 C1=C(O[C@H....
3 2XZK - K99 C9 H14 F2 O8 C([C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2XZI - KDM C9 H16 O9 C1[C@@H]([....
2 2XZJ - KFN C9 H14 O8 C1=C(O[C@H....
3 2XZK - K99 C9 H14 F2 O8 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: K99; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 K99 1 1
2 FKD 0.627451 1
3 SFJ 0.596491 0.729167
4 KDM 0.45614 0.861111
5 KDN 0.45614 0.861111
6 FSI 0.4375 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XZI; Ligand: KDM; 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: 2xzi.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XZI; Ligand: KDM; 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: 2xzi.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XZI; Ligand: KDM; 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: 2xzi.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2xzi.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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