Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:503;
A:504;
B:503;
B:504;
B:505;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
KDM A:500;
A:501;
B:500;
B:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
268.218 C9 H16 O9 C1[C@...
NA A:502;
B:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
NO2 A:505;
Invalid;
none;
submit data
46.005 N O2 N(=O)...
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 25 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 21 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 14 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: KDM; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 KDN 1 1
2 KDM 1 1
3 KDO 0.64 0.96875
4 SLB 0.568965 0.72093
5 SIA 0.568965 0.72093
6 NGC 0.55 0.704545
7 18D 0.532258 0.688889
8 42D 0.532258 0.659574
9 FKD 0.473684 0.861111
10 K99 0.45614 0.861111
11 79J 0.42029 0.673913
12 KDF 0.411765 0.805556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 2xzi.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QN6 LNV 0.00804 0.40636 3.36788
2 1YRO UDP 0.00754 0.42923 6.64336
Pocket No.: 3; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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