Receptor
PDB id Resolution Class Description Source Keywords
4NZ8 2 Å EC: 3.4.11.2 CRYSTAL STRUCTURE OF PORCINE AMINOPEPTIDASE-N COMPLEXED WITH POLY-ALANINE SUS SCROFA ZINC AMINOPEPTIDASE HYDROLASE
Ref.: STRUCTURAL BASIS FOR MULTIFUNCTIONAL ROLES OF MAMMA AMINOPEPTIDASE N. PROC.NATL.ACAD.SCI.USA V. 109 17966 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1003;
A:1008;
A:1015;
A:1009;
A:1012;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ALA ALA ALA ALA ALA ALA C:2;
B:1;
Valid;
Valid;
none;
none;
submit data
73.095 n/a O=CC(...
SO4 A:1026;
A:1022;
A:1025;
A:1023;
A:1018;
A:1019;
A:1024;
A:1020;
A:1017;
A:1021;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAG NAG E:1;
F:1;
H:1;
G:1;
D:1;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
ZN A:1016;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OU3 1.95 Å EC: 3.4.11.2 CRYSTAL STRUCTURE OF PORCINE AMINOPEPTIDASE N COMPLEXED WITH TUMOR-HOMING PEPTIDE SUS SCROFA ZINC-AMINOPEPTIDASE HYDROLASE-PROTEIN BINDING COMPLEX
Ref.: A UNIFIED MECHANISM FOR AMINOPEPTIDASE N-BASED TUMO MOTILITY AND TUMOR-HOMING THERAPY. J.BIOL.CHEM. V. 289 34520 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4NZ8 - ALA ALA ALA ALA ALA ALA n/a n/a
2 4NAQ - ALA ALA ALA ALA ALA ALA ALA n/a n/a
3 4OU3 Ki = 38.7 uM CYS ASN GLY ARG CYS GLY n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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 4NZ8 - ALA ALA ALA ALA ALA ALA n/a n/a
5 4NAQ - ALA ALA ALA ALA ALA ALA ALA n/a n/a
6 4OU3 Ki = 38.7 uM CYS ASN GLY ARG CYS GLY n/a n/a
50% Homology Family (11)
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 6T6R - MNZ C20 H28 O4 C[C@@H]1C[....
5 6Q4R - HJ5 C24 H32 N3 O4 P C#CC[C@H](....
6 5AB0 ic50 = 26 nM 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN n/a n/a
7 4NZ8 - ALA ALA ALA ALA ALA ALA n/a n/a
8 4NAQ - ALA ALA ALA ALA ALA ALA ALA n/a n/a
9 4OU3 Ki = 38.7 uM CYS ASN GLY ARG CYS GLY n/a n/a
10 4KX8 - L2O VAL VAL ASP n/a n/a
11 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ALA ALA ALA ALA ALA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA ALA ALA ALA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ALA ALA ALA ALA ALA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ALA ALA SER ALA SER ALA 0.9590
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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