Receptor
PDB id Resolution Class Description Source Keywords
5AB0 2.5 Å EC: 3.4.11.1 CRYSTAL STRUCTURE OF AMINOPEPTIDASE ERAP2 WITH LIGAND HOMO SAPIENS AMINOPEPTIDASE ERAP2 ZINC ION BINDING ENDOPLASMIC RETICULHYDROLASE METALLOPROTEASE L-RAP ANTIGEN PRESENTATION
Ref.: STRUCTURAL BASIS FOR ANTIGENIC PEPTIDE RECOGNITION PROCESSING BY ENDOPLASMIC RETICULUM (ER) AMINOPEPTI J.BIOL.CHEM. V. 290 26021 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN F:1;
E:1;
 Valid;
Valid;
 none;
none;
 ic50 = 26 nM
1311.54 n/a P(=O)...
NAG A:1070;
A:1082;
C:1011;
C:1009;
C:1010;
C:1012;
C:1006;
A:1069;
A:1081;
C:1013;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:1;
J:1;
H:1;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
408.404 n/a O=C(N...
ZN C:1020;
A:1008;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
NAG NAG BMA G:1;
D:1;
 Invalid;
Invalid;
 none;
none;
 submit data
570.545 n/a O=C(N...
EDO C:1962;
A:1965;
A:1964;
C:1963;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MES A:2002;
 Invalid;
 none;
 submit data
195.237 C6 H13 N O4 S C1COC...
NAG NAG BMA BMA BMA I:1;
 Invalid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AB0 2.5 Å EC: 3.4.11.1 CRYSTAL STRUCTURE OF AMINOPEPTIDASE ERAP2 WITH LIGAND HOMO SAPIENS AMINOPEPTIDASE ERAP2 ZINC ION BINDING ENDOPLASMIC RETICULHYDROLASE METALLOPROTEASE L-RAP ANTIGEN PRESENTATION
Ref.: STRUCTURAL BASIS FOR ANTIGENIC PEPTIDE RECOGNITION PROCESSING BY ENDOPLASMIC RETICULUM (ER) AMINOPEPTI J.BIOL.CHEM. V. 290 26021 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AB0 ic50 = 26 nM 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AB0 ic50 = 26 nM 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 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: 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 1 1
2 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.533784 0.764706
3 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.523179 0.797101
4 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.50641 0.694444
5 ALA LYS PHE ARG HIS ASP 0.486301 0.694444
6 HIS LEU TYR PHE SER SEP ASN 0.467949 0.821918
7 PHE SER GLN HIS LYS THR SER TPO ILE 0.464286 0.873239
8 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.4625 0.726027
9 ALA HIS ALA LYS ALA 0.447761 0.69697
10 ACE PHE HIS ALA ALA NH2 0.44697 0.651515
11 VAL VAL SER HIS PHE ASN ASP 0.445946 0.791045
12 GLY ALA ARG ALA HIS SER SER 0.431507 0.75
13 ARG HIS LYS ALY LEU MET PHE LYS 0.427711 0.68
14 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.421348 0.794872
15 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.420382 0.676056
16 ASP ALA GLU PHE ARG HIS ASP SER 0.415094 0.680556
17 ACE 0LF LEU HIS SER TPO NH2 0.414201 0.844156
18 PHE LEU SER TYR LYS 0.413793 0.7
19 THR SER ARG HIS LYS ALY LEU MET ALA 0.413174 0.727273
20 SER ILE ILE GLN PHE GLU HIS LEU 0.408805 0.808824
21 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.405229 0.7
22 PHE LEU ALA TYR LYS 0.40411 0.642857
23 HCI PRO LEU HIS SER TPO ALA NH2 0.403509 0.853333
Similar Ligands (3D)
Ligand no: 1; Ligand: 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AB0; Ligand: 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5ab0.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2XQ0 BES 21.2025
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