Receptor
PDB id Resolution Class Description Source Keywords
2QJN 2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM NOVOSPHING AROMATICIVORANS COMPLEXED WITH MG AND 2-KETO-3-DEOXY-D-GLUC NOVOSPHINGOBIUM AROMATICIVORANS D-MANNONATE DEHYDRATASE ENOLASE SUPERFAMILY LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: D-MANNONATE DEHYDRATASE FROM NOVOSPHIN AROMATICIVORANS. BIOCHEMISTRY V. 46 12896 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KDG A:2001;
B:2002;
C:2003;
D:2004;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
178.14 C6 H10 O6 C([C@...
MG A:1001;
B:1002;
C:1003;
D:1004;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QJN 2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM NOVOSPHING AROMATICIVORANS COMPLEXED WITH MG AND 2-KETO-3-DEOXY-D-GLUC NOVOSPHINGOBIUM AROMATICIVORANS D-MANNONATE DEHYDRATASE ENOLASE SUPERFAMILY LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: D-MANNONATE DEHYDRATASE FROM NOVOSPHIN AROMATICIVORANS. BIOCHEMISTRY V. 46 12896 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 2QJM - CS2 C6 H12 O7 C([C@H]([C....
2 2QJN - KDG C6 H10 O6 C([C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2QJM - CS2 C6 H12 O7 C([C@H]([C....
2 2QJN - KDG C6 H10 O6 C([C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2QJM - CS2 C6 H12 O7 C([C@H]([C....
2 2QJN - KDG C6 H10 O6 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KDG; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 KDG 1 1
2 SI3 0.431818 0.685714
3 NGF 0.422222 0.666667
4 KD0 0.404762 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QJN; Ligand: KDG; 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: 2qjn.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2QJN; Ligand: KDG; 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: 2qjn.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QJN; Ligand: KDG; 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: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2QJN; Ligand: KDG; 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: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2qjn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2qjn.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2qjn.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2qjn.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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