Receptor
PDB id Resolution Class Description Source Keywords
1NX4 2.4 Å EC: 7.-.-.- THE CRYSTAL STRUCTURE OF CARBAPENEM SYNTHASE (CARC) PECTOBACTERIUM CAROTOVORUM JELLY ROLL UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF CARBAPENEM SYNTHASE (CARC). J.BIOL.CHEM. V. 278 20843 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:280;
B:281;
C:282;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE A:300;
B:300;
C:300;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NX4 2.4 Å EC: 7.-.-.- THE CRYSTAL STRUCTURE OF CARBAPENEM SYNTHASE (CARC) PECTOBACTERIUM CAROTOVORUM JELLY ROLL UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF CARBAPENEM SYNTHASE (CARC). J.BIOL.CHEM. V. 278 20843 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 1NX4 - 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 250 families.
1 1NX4 - 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 204 families.
1 1NX4 - 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 : 1NX4; Ligand: AKG; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 1nx4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4M26 ZZU 4.3956
2 4M26 SIN 4.3956
3 4M26 AKG 4.3956
4 2OG7 SIN 4.7619
5 2WBP SIN 5.12821
6 2WBP ZZU 5.12821
7 1DRY AAG 5.12821
8 1DRY AKG 5.12821
Pocket No.: 2; Query (leader) PDB : 1NX4; 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: 1nx4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NX4; 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: 3) in the query (biounit: 1nx4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NX4; 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: 4) in the query (biounit: 1nx4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1NX4; 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: 5) in the query (biounit: 1nx4.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1NX4; 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: 6) in the query (biounit: 1nx4.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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