Receptor
PDB id Resolution Class Description Source Keywords
1DRT 2.1 Å EC: 1.14.11.21 CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE OXOGLUTARATE AND PROCLAVAMINIC ACID STREPTOMYCES CLAVULIGERUS OXYGENASE TRIFUNCTIONAL ENZYME CLAVAMINATE SYNTHASE 1 OXIDOREDUCTASELYASE
Ref.: STRUCTURAL ORIGINS OF THE SELECTIVITY OF THE TRIFUN OXYGENASE CLAVAMINIC ACID SYNTHASE. NAT.STRUCT.BIOL. V. 7 127 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:326;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:325;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
PCV A:327;
Valid;
none;
submit data
202.208 C8 H14 N2 O4 C1CN(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DRY 1.4 Å EC: 1.14.11.21 CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE STREPTOMYCES CLAVULIGERUS OXYGENASE TRIFUNCTIONAL ENZYME CLAVAMINATE SYNTHASE 1 OXIDOREDUCTASELYASE
Ref.: STRUCTURAL ORIGINS OF THE SELECTIVITY OF THE TRIFUN OXYGENASE CLAVAMINIC ACID SYNTHASE. NAT.STRUCT.BIOL. V. 7 127 2000
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DS1 - AKG C5 H6 O5 C(CC(=O)O)....
2 1DRT - PCV C8 H14 N2 O4 C1CN(C1=O)....
3 1GVG - PCX C9 H16 N4 O3 [H]/N=C(/N....
4 1DRY - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DS1 - AKG C5 H6 O5 C(CC(=O)O)....
2 1DRT - PCV C8 H14 N2 O4 C1CN(C1=O)....
3 1GVG - PCX C9 H16 N4 O3 [H]/N=C(/N....
4 1DRY - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DS1 - AKG C5 H6 O5 C(CC(=O)O)....
2 1DRT - PCV C8 H14 N2 O4 C1CN(C1=O)....
3 1GVG - PCX C9 H16 N4 O3 [H]/N=C(/N....
4 1DRY - 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
Ligand no: 2; Ligand: PCV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PCV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DRY; Ligand: AKG; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 1dry.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 5.12821
2 4M26 AKG 37.3457
3 6F6J CUW 39.5062
4 6F6J SIN 39.5062
5 2WBP SIN 39.6648
6 2WBP ZZU 39.6648
7 2OG7 SIN 40.7407
Pocket No.: 2; Query (leader) PDB : 1DRY; Ligand: AAG; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 1dry.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 5.12821
2 4M26 AKG 37.3457
3 6F6J CUW 39.5062
4 6F6J SIN 39.5062
5 2WBP SIN 39.6648
6 2WBP ZZU 39.6648
7 2OG7 SIN 40.7407
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