Receptor
PDB id Resolution Class Description Source Keywords
2XKO 2.25 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE COMPLEX OF NTCA WITH ITS TRANSCRIPTIONAL CO-ACTIVATOR PIPX SYNECHOCOCCUS ELONGATUS TRANSCRIPTION NITROGEN ASSIMILATION CRP/FNR SUPERFAMILY 2-OXOGLUTARATE GLOBAL NITROGEN CONTROLLER
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF NTCA-DEPENDENT TRANSCRIPTION BY PROTEINS PIPX AND PII. PROC.NATL.ACAD.SCI.USA V. 107 15397 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1223;
B:1223;
Valid;
Valid;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XKO 2.25 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE COMPLEX OF NTCA WITH ITS TRANSCRIPTIONAL CO-ACTIVATOR PIPX SYNECHOCOCCUS ELONGATUS TRANSCRIPTION NITROGEN ASSIMILATION CRP/FNR SUPERFAMILY 2-OXOGLUTARATE GLOBAL NITROGEN CONTROLLER
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF NTCA-DEPENDENT TRANSCRIPTION BY PROTEINS PIPX AND PII. PROC.NATL.ACAD.SCI.USA V. 107 15397 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2XKO - AKG C5 H6 O5 C(CC(=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 175 families.
1 2XKO - AKG C5 H6 O5 C(CC(=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 149 families.
1 2XKO - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XKO; Ligand: AKG; 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: 2xko.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XKO; Ligand: AKG; 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: 2xko.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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