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

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

The structure of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Ala-Y(PO2CH2)-Homophe-Oh, PDB code: 4uee 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)	78.55 / 2.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.298, 83.983, 157.096, 90.00, 90.00, 90.00
R / Rfree (%)	15.371 / 22.542

The binding sites of Zinc atom in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Leu-Ala-Y(PO2CH2)-Homophe-Oh (pdb code 4uee). 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-Ala-Y(PO2CH2)-Homophe-Oh, PDB code: 4uee:
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-Ala-Y(PO2CH2)-Homophe-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-Ala-Y(PO2CH2)-Homophe-Oh within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1310 b:11.4 occ:1.00 OE2 A:GLU72 1.8 6.8 1.0 ND1 A:HIS69 1.9 8.3 1.0 ND1 A:HIS196 2.0 12.7 1.0 O16 A:LA91309 2.1 11.7 1.0 CD A:GLU72 2.6 8.7 1.0 OE1 A:GLU72 2.7 11.6 1.0 CE1 A:HIS196 2.8 13.7 1.0 CE1 A:HIS69 2.8 8.0 1.0 CG A:HIS69 3.0 9.8 1.0 CG A:HIS196 3.1 12.8 1.0 P14 A:LA91309 3.1 13.6 1.0 O15 A:LA91309 3.2 10.0 1.0 CB A:HIS69 3.4 9.8 1.0 CB A:HIS196 3.6 10.1 1.0 NE2 A:HIS69 4.0 9.0 1.0 NE2 A:HIS196 4.0 16.4 1.0 O A:HOH2047 4.1 12.8 1.0 CD2 A:HIS69 4.1 9.6 1.0 CG A:GLU72 4.1 7.8 1.0 CD2 A:HIS196 4.1 14.3 1.0 C17 A:LA91309 4.2 15.4 1.0 O A:SER197 4.2 11.2 1.0 OE2 A:GLU270 4.2 12.4 1.0 O A:HOH2045 4.4 17.2 1.0 CA A:HIS196 4.5 10.3 1.0 NH1 A:ARG127 4.5 11.2 1.0 C13 A:LA91309 4.5 15.4 1.0 C04 A:LA91309 4.7 17.7 1.0 CA A:HIS69 4.7 10.5 1.0 N A:HIS69 4.8 10.2 1.0 O01 A:LA91309 4.8 16.8 1.0 OE1 A:GLU270 4.8 9.1 1.0 N A:SER197 4.9 9.6 1.0 C02 A:LA91309 5.0 17.4 1.0 CD A:GLU270 5.0 11.0 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-Ala-Y(PO2CH2)-Homophe-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-Ala-Y(PO2CH2)-Homophe-Oh within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1310 b:14.4 occ:1.00 OE2 B:GLU72 1.9 9.8 1.0 O16 B:LA91309 2.0 15.8 1.0 ND1 B:HIS196 2.0 12.7 1.0 ND1 B:HIS69 2.1 10.9 1.0 CD B:GLU72 2.7 9.6 1.0 OE1 B:GLU72 2.8 10.4 1.0 CE1 B:HIS196 3.0 15.6 1.0 CG B:HIS69 3.0 10.8 1.0 CG B:HIS196 3.1 13.1 1.0 CE1 B:HIS69 3.1 11.8 1.0 P14 B:LA91309 3.1 16.7 1.0 O15 B:LA91309 3.2 16.2 1.0 CB B:HIS69 3.3 12.1 1.0 CB B:HIS196 3.5 12.7 1.0 NE2 B:HIS196 4.1 16.3 1.0 C17 B:LA91309 4.1 18.9 1.0 O B:HOH2050 4.1 20.8 1.0 CG B:GLU72 4.2 10.3 1.0 CD2 B:HIS69 4.2 7.8 1.0 O B:SER197 4.2 13.1 1.0 CD2 B:HIS196 4.2 13.1 1.0 NE2 B:HIS69 4.2 11.8 1.0 OE2 B:GLU270 4.2 11.8 1.0 O B:HOH2048 4.3 10.7 1.0 CA B:HIS196 4.4 12.8 1.0 C13 B:LA91309 4.5 16.9 1.0 C04 B:LA91309 4.6 17.5 1.0 NH1 B:ARG127 4.6 9.0 1.0 CA B:HIS69 4.7 12.3 1.0 N B:SER197 4.7 11.9 1.0 O01 B:LA91309 4.7 22.6 1.0 C18 B:LA91309 4.8 21.2 1.0 OE1 B:GLU270 4.8 14.3 1.0 C02 B:LA91309 4.9 19.6 1.0 N B:HIS69 4.9 13.2 1.0 CD B:GLU270 4.9 12.7 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.