Receptor
PDB id Resolution Class Description Source Keywords
2ZOA 2.4 Å EC: 3.1.4.46 MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIESTERASE FRO ENTEROBACTER AEROGENES (GPDQ) COLLECTED AT 1.280 ANGSTROM ENTEROBACTER AEROGENES MALONATE METALLOENZYME IRON PHOSPHODIESTERASE HYDROLASE
Ref.: MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIEST FROM ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZA THE NATIVE FE2+ METAL-ION PREFERENCE. ACTA CRYSTALLOGR.,SECT.F V. 64 681 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 A:275;
A:276;
B:275;
B:276;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
MLI A:277;
B:277;
Valid;
Valid;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZO9 2.2 Å EC: 3.1.4.46 MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIESTERASE FRO ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZATION OF THE NM ETAL ION PREFERENCE ENTEROBACTER AEROGENES MALONATE METALLOENZYME IRON PHOSPHODIESTERASE HYDROLASE
Ref.: MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIEST FROM ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZA THE NATIVE FE2+ METAL-ION PREFERENCE. ACTA CRYSTALLOGR.,SECT.F V. 64 681 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5IHE D5M 9.12409
Pocket No.: 2; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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