Receptor
PDB id Resolution Class Description Source Keywords
5HV0 1.63 Å EC: 1.-.-.- STRUCTURAL ANALYSIS OF COFACTOR BINDING OF A PROLYL 4-HYDROX THE PATHOGENIC BACTERIUM BACILLUS ANTHRACIS BACILLUS ANTHRACIS P4H DIOXYGENASE CUPIN FE(II)/ALPHA-KETOGLUTARATE OXIDORE
Ref.: STRUCTURAL ANALYSIS OF COFACTOR BINDING FOR A PROLY 4-HYDROXYLASE FROM THE PATHOGENIC BACTERIUM BACILLU ANTHRACIS. ACTA CRYSTALLOGR D STRUCT V. 72 675 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD B:304;
A:308;
B:301;
B:302;
A:303;
A:309;
B:303;
B:305;
A:302;
A:305;
A:304;
A:306;
A:301;
A:307;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
AKG B:306;
A:310;
Valid;
Valid;
none;
none;
Kd = 1.1 uM
146.098 C5 H6 O5 C(CC(...
GOL B:307;
A:312;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:311;
Part of Protein;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HV0 1.63 Å EC: 1.-.-.- STRUCTURAL ANALYSIS OF COFACTOR BINDING OF A PROLYL 4-HYDROX THE PATHOGENIC BACTERIUM BACILLUS ANTHRACIS BACILLUS ANTHRACIS P4H DIOXYGENASE CUPIN FE(II)/ALPHA-KETOGLUTARATE OXIDORE
Ref.: STRUCTURAL ANALYSIS OF COFACTOR BINDING FOR A PROLY 4-HYDROXYLASE FROM THE PATHOGENIC BACTERIUM BACILLU ANTHRACIS. ACTA CRYSTALLOGR D STRUCT V. 72 675 2016 BIOL
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5HV4 Kd = 1.1 uM AKG C5 H6 O5 C(CC(=O)O)....
2 5HV0 Kd = 1.1 uM AKG C5 H6 O5 C(CC(=O)O)....
3 5IAV - MLI C3 H2 O4 C(C(=O)[O-....
4 5V7Y - AKG C5 H6 O5 C(CC(=O)O)....
5 5IAX - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5HV4 Kd = 1.1 uM AKG C5 H6 O5 C(CC(=O)O)....
2 5HV0 Kd = 1.1 uM AKG C5 H6 O5 C(CC(=O)O)....
3 5IAV - MLI C3 H2 O4 C(C(=O)[O-....
4 5V7Y - AKG C5 H6 O5 C(CC(=O)O)....
5 5IAX - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5HV4 Kd = 1.1 uM AKG C5 H6 O5 C(CC(=O)O)....
2 5HV0 Kd = 1.1 uM AKG C5 H6 O5 C(CC(=O)O)....
3 5IAV - MLI C3 H2 O4 C(C(=O)[O-....
4 5V7Y - AKG C5 H6 O5 C(CC(=O)O)....
5 5IAX - 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 : 5HV0; Ligand: AKG; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 5hv0.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4J25 OGA 7.86026
2 6FXR AKG 18.4332
3 5C5T AKG 44.7368
Pocket No.: 2; Query (leader) PDB : 5HV0; 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: 5hv0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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