Receptor
PDB id Resolution Class Description Source Keywords
5L44 1.75 Å EC: 3.-.-.- STRUCTURE OF K-26-DCP IN COMPLEX WITH THE K-26 TRIPEPTIDE ASTROSPORANGIUM HYPOTENSIONIS K-26 DIPEPTIDYL CARBOXYPEPTIDASE METALLOPROTEASE K-26 TRIPEPTIDANGIOTENSIN-1 CONVERTING ENZYME HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A PEPTIDYL-DIPEPTIDASE K-26-DC ACTINOMYCETE IN COMPLEX WITH ITS NATURAL INHIBITOR. FEBS J. V. 283 4357 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:1003;
A:1003;
A:1002;
B:1002;
 Invalid;
Invalid;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
SO4 A:1004;
B:1004;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:1001;
B:1001;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
K26 B:1005;
A:1005;
 Valid;
Valid;
 none;
none;
 submit data
535.527 C25 H34 N3 O8 P CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L44 1.75 Å EC: 3.-.-.- STRUCTURE OF K-26-DCP IN COMPLEX WITH THE K-26 TRIPEPTIDE ASTROSPORANGIUM HYPOTENSIONIS K-26 DIPEPTIDYL CARBOXYPEPTIDASE METALLOPROTEASE K-26 TRIPEPTIDANGIOTENSIN-1 CONVERTING ENZYME HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A PEPTIDYL-DIPEPTIDASE K-26-DC ACTINOMYCETE IN COMPLEX WITH ITS NATURAL INHIBITOR. FEBS J. V. 283 4357 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5L44 - K26 C25 H34 N3 O8 P CC[C@H](C)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5L44 - K26 C25 H34 N3 O8 P CC[C@H](C)....
50% 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 1Y79 ic50 = 12 uM GLY ASP n/a n/a
2 5L44 - K26 C25 H34 N3 O8 P CC[C@H](C)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K26; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 K26 1 1
2 ACE ILE TYR GLU SER LEU 0.537634 0.612903
3 JGM 0.464789 0.649123
4 LEU ALA ILE TYR SER 0.463158 0.644068
5 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.412844 0.689655
Similar Ligands (3D)
Ligand no: 1; Ligand: K26; 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 : 5L44; Ligand: K26; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5l44.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5L44; Ligand: K26; 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: 5l44.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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