Receptor
PDB id Resolution Class Description Source Keywords
4NAQ 2.1 Å EC: 3.4.11.2 CRYSTAL STRUCTURE OF PORCINE AMINOPEPTIDASE-N COMPLEXED WITH 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:1006;
A:1015;
A:1007;
A:1012;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
SO4 A:1026;
A:1022;
A:1025;
A:1023;
A:1018;
A:1019;
A:1024;
A:1020;
A:1017;
A:1021;
A:1016;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
NAG NAG E:1;
F:1;
C:1;
G:1;
D:1;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
408.404 n/a O=C(N...
ALA ALA ALA ALA ALA ALA ALA B:1;
 Valid;
 none;
 submit data
515.568 n/a O=C([...
ZN A:1027;
 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 ALA; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA ALA ALA ALA ALA 1 1
2 ALA ALA ALA 0.966667 1
3 DAL DAL 0.741935 0.923077
4 ALA ALA ALA ALA SER ALA ALA 0.681818 0.702703
5 ALA THR ALA ALA 0.642857 0.83871
6 ALA ALA ALA ALA 0.615385 0.923077
7 ALA ALA ALA ALA ALA 0.615385 0.923077
8 C0O DAL DAL 0.555556 0.787879
9 MET ALA ALA 0.510638 0.684211
10 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.491228 0.619048
11 ASP GLN ILE ILE 0.48 0.83871
12 ALA ALA CE7 0.478261 0.722222
13 ALA ALA 0.459459 0.923077
14 VAL THR SER VAL VAL 0.444444 0.684211
15 ALA LEU ALA LEU 0.431373 0.8125
16 ALA LEU SER ARG 0.431373 0.675676
17 ALA ILE ALA VAL 0.415094 0.8125
18 ALA ALA SER ALA SER ALA 0.415094 0.657895
19 ALA LEU SER ARG GLN 0.415094 0.675676
20 ARG ARG ALA ALA 0.403226 0.604651
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ALA ALA ALA ALA ALA ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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