Receptor
PDB id Resolution Class Description Source Keywords
2R00 2.03 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE II COMPLEXED WITH ASA FROM VIBRIO CHOLERAE VIBRIO CHOLERAE ASPARTATE SEMIALDEHYDE DEHYDROGENASE CONFORMATIONAL CHANGEHALF-OF-SITES-REACTIVITY PROTEIN EVOLUTION SEQUENCE HOMOLOGY SUBUNIT COMMUNICATION AMINO-ACID BIOSYNTHESIS DIAMINOPIMELATE BIOSYNTHESIS LYSINE BIOSYNTHESIS NADP OXIDOREDUCTASE
Ref.: THE STRUCTURE OF A REDUNDANT ENZYME: A SECOND ISOFORM OF ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN VIBRIO CHOLERAE. ACTA CRYSTALLOGR.,SECT.D V. 64 321 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OEG C:1;
Valid;
none;
submit data
134.087 C4 H6 O5 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R00 2.03 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE II COMPLEXED WITH ASA FROM VIBRIO CHOLERAE VIBRIO CHOLERAE ASPARTATE SEMIALDEHYDE DEHYDROGENASE CONFORMATIONAL CHANGEHALF-OF-SITES-REACTIVITY PROTEIN EVOLUTION SEQUENCE HOMOLOGY SUBUNIT COMMUNICATION AMINO-ACID BIOSYNTHESIS DIAMINOPIMELATE BIOSYNTHESIS LYSINE BIOSYNTHESIS NADP OXIDOREDUCTASE
Ref.: THE STRUCTURE OF A REDUNDANT ENZYME: A SECOND ISOFORM OF ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN VIBRIO CHOLERAE. ACTA CRYSTALLOGR.,SECT.D V. 64 321 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OEG; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OEG 1 1
2 VKC 0.5 0.826087
3 TEG 0.413793 0.76
4 OP2 0.4 0.730769
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R00; Ligand: OEG; 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: 2r00.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2R00; Ligand: OEG; 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: 2r00.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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