Zinc in PDB 4uez: Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh

All present enzymatic activity of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh:
3.4.17.1;

The structure of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh, PDB code: 4uez was solved by P.Gallego, G.Covaleda, L.Costenaro, L.Devel, V.Dive, F.X.Aviles, D.Reverter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.00 / 2.29
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.989, 84.143, 158.005, 90.00, 90.00, 90.00
R / Rfree (%)	15.036 / 20.519

The binding sites of Zinc atom in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh (pdb code 4uez). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh, PDB code: 4uez:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn420 b:5.1 occ:1.00 ND1 A:HIS179 2.0 4.0 1.0 ND1 A:HIS306 2.0 2.0 1.0 OE2 A:GLU182 2.0 3.4 1.0 O22 A:LFF421 2.2 15.6 1.0 OE1 A:GLU182 2.6 3.1 1.0 CD A:GLU182 2.6 2.1 1.0 O23 A:LFF421 2.8 21.1 1.0 CE1 A:HIS306 2.9 2.0 1.0 CE1 A:HIS179 2.9 4.9 1.0 P21 A:LFF421 3.0 18.9 1.0 CG A:HIS179 3.0 4.9 1.0 CG A:HIS306 3.1 2.4 1.0 CB A:HIS179 3.4 2.6 1.0 CB A:HIS306 3.5 2.0 1.0 O A:HOH2045 4.0 3.2 1.0 NE2 A:HIS306 4.0 6.0 1.0 NE2 A:HIS179 4.1 2.5 1.0 C13 A:LFF421 4.1 20.1 1.0 CG A:GLU182 4.1 2.2 1.0 CD2 A:HIS179 4.1 2.0 1.0 CD2 A:HIS306 4.2 2.8 1.0 NH1 A:ARG237 4.3 2.0 1.0 O A:HOH2043 4.3 10.0 1.0 C25 A:LFF421 4.3 13.5 1.0 O A:SER307 4.4 2.0 1.0 C24 A:LFF421 4.4 14.8 1.0 CA A:HIS306 4.5 2.1 1.0 O34 A:LFF421 4.6 12.3 1.0 OE2 A:GLU380 4.6 14.3 1.0 C33 A:LFF421 4.7 10.9 1.0 CA A:HIS179 4.7 3.4 1.0 N A:SER307 4.8 2.0 1.0 N A:HIS179 4.8 3.0 1.0 OE1 A:GLU380 4.9 11.9 1.0 C14 A:LFF421 4.9 21.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Phe-Y( PO2CH2)-Phe-Oh within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn420 b:4.6 occ:1.00 ND1 B:HIS306 2.0 2.0 1.0 ND1 B:HIS179 2.0 3.1 1.0 OE2 B:GLU182 2.1 6.0 1.0 O22 B:LFF421 2.1 13.8 1.0 O23 B:LFF421 2.6 19.3 1.0 OE1 B:GLU182 2.6 7.2 1.0 CD B:GLU182 2.7 4.2 1.0 CE1 B:HIS306 2.9 6.2 1.0 CE1 B:HIS179 2.9 2.0 1.0 P21 B:LFF421 3.0 12.7 1.0 CG B:HIS179 3.1 3.0 1.0 CG B:HIS306 3.1 4.0 1.0 CB B:HIS179 3.5 3.8 1.0 CB B:HIS306 3.5 2.0 1.0 O B:HOH2047 3.9 2.3 1.0 C13 B:LFF421 4.0 18.5 1.0 NE2 B:HIS179 4.1 3.1 1.0 NE2 B:HIS306 4.1 5.0 1.0 CG B:GLU182 4.2 4.8 1.0 CD2 B:HIS179 4.2 2.0 1.0 CD2 B:HIS306 4.2 2.0 1.0 O B:SER307 4.3 3.8 1.0 O B:HOH2046 4.3 6.9 1.0 NH1 B:ARG237 4.4 5.7 1.0 C25 B:LFF421 4.4 15.2 1.0 C24 B:LFF421 4.4 14.3 1.0 CA B:HIS306 4.4 3.0 1.0 O34 B:LFF421 4.4 14.3 1.0 C33 B:LFF421 4.6 15.1 1.0 OE2 B:GLU380 4.7 12.5 1.0 N B:SER307 4.8 2.5 1.0 CA B:HIS179 4.8 5.0 1.0 C14 B:LFF421 4.8 20.1 1.0 N B:HIS179 4.9 4.4 1.0 OE1 B:GLU380 4.9 12.1 1.0

P.Gallego, G.Covaleda, L.Devel, V.Dive, F.X.Aviles, D.Reverter. Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors To Be Published.