Receptor
PDB id Resolution Class Description Source Keywords
4KX8 2.4 Å EC: 3.4.11.7 CRYSTAL STRUCTURE OF HUMAN AMINOPEPTIDASE A COMPLEXED WITH A HOMO SAPIENS ZINC-AMINOPEPTIDASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO CENTRAL HYPERTENSION REGUL HUMAN AMINOPEPTIDASE A. J.BIOL.CHEM. V. 288 25638 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG A:1015;
A:1013;
A:1002;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
408.404 n/a O=C(N...
ZN A:1001;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NAG NAG NAG A:1007;
A:1010;
Invalid;
Invalid;
none;
none;
submit data
611.598 n/a O=C(N...
NAG A:1005;
A:1004;
A:1006;
A:1017;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
L2O VAL VAL ASP C:1;
Valid;
none;
submit data
474.555 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KX8 2.4 Å EC: 3.4.11.7 CRYSTAL STRUCTURE OF HUMAN AMINOPEPTIDASE A COMPLEXED WITH A HOMO SAPIENS ZINC-AMINOPEPTIDASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO CENTRAL HYPERTENSION REGUL HUMAN AMINOPEPTIDASE A. J.BIOL.CHEM. V. 288 25638 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KX8 - L2O VAL VAL ASP n/a n/a
2 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KX8 - L2O VAL VAL ASP n/a n/a
2 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4FYS Kd = 15 uM VAL TYR ILE HIS PRO PHE n/a n/a
2 4FYT - L2O VAL VAL ASP n/a n/a
3 4FYR - BES C16 H24 N2 O4 CC(C)C[C@@....
4 5AB0 ic50 = 26 nM 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN n/a n/a
5 4NZ8 - ALA ALA ALA ALA ALA ALA n/a n/a
6 4NAQ - ALA ALA ALA ALA ALA ALA ALA n/a n/a
7 4OU3 Ki = 38.7 uM CYS ASN GLY ARG CYS GLY n/a n/a
8 6Q4R - HJ5 C24 H32 N3 O4 P C#CC[C@H](....
9 4KX8 - L2O VAL VAL ASP n/a n/a
10 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L2O VAL VAL ASP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 L2O VAL VAL ASP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KX8; Ligand: L2O VAL VAL ASP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4kx8.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZXG S23 17.5862
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