Zinc in PDB 4a94: Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4

The structure of Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4, PDB code: 4a94 was solved by G.Covaleda, M.Alonso, M.A.Chavez, F.X.Aviles, D.Reverter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.093 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.220, 71.980, 79.840, 90.00, 108.84, 90.00
R / Rfree (%)	20.54 / 23.46

The binding sites of Zinc atom in the Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4 (pdb code 4a94). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4, PDB code: 4a94:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:11.1 occ:1.00 OE2 A:GLU72 2.1 9.0 1.0 ND1 A:HIS196 2.1 9.3 1.0 ND1 A:HIS69 2.2 12.2 1.0 OXT D:ALA53 2.3 12.7 1.0 O D:ALA53 2.4 13.6 1.0 C D:ALA53 2.7 11.7 1.0 OE1 A:GLU72 2.7 10.8 1.0 CD A:GLU72 2.7 11.2 1.0 CE1 A:HIS196 3.0 12.2 1.0 CG A:HIS196 3.1 9.9 1.0 CE1 A:HIS69 3.1 9.4 1.0 CG A:HIS69 3.2 9.9 1.0 CB A:HIS196 3.5 9.6 1.0 CB A:HIS69 3.5 8.8 1.0 CA D:ALA53 4.1 9.8 1.0 O A:HOH2045 4.1 12.2 1.0 NE2 A:HIS196 4.1 11.1 1.0 NH1 A:ARG127 4.2 9.4 1.0 CG A:GLU72 4.2 9.4 1.0 CD2 A:HIS196 4.2 10.3 1.0 O A:SER197 4.2 10.3 1.0 N A:NO31309 4.2 14.2 1.0 NE2 A:HIS69 4.3 10.3 1.0 O A:HOH2043 4.3 11.7 1.0 O1 A:NO31309 4.3 11.6 0.9 O2 A:NO31309 4.3 14.8 0.4 CD2 A:HIS69 4.3 9.4 1.0 CA A:HIS196 4.4 9.5 1.0 OE2 A:GLU270 4.6 14.0 1.0 N A:SER197 4.7 11.0 1.0 O3 A:NO31309 4.8 13.4 1.0 CA A:HIS69 4.9 9.1 1.0 CZ A:ARG127 4.9 10.6 1.0 N D:ALA53 4.9 11.7 1.0 CB D:ALA53 5.0 10.5 1.0

Zinc binding site 2 out of 2 in the Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Carboxypeptidase Inhibitor From Nerita Versicolor in Complex with Human CPA4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:12.8 occ:1.00 OE2 B:GLU72 2.1 12.6 1.0 ND1 B:HIS69 2.1 10.5 1.0 ND1 B:HIS196 2.1 13.0 1.0 OXT C:ALA53 2.2 15.1 1.0 O C:ALA53 2.5 14.3 1.0 C C:ALA53 2.6 15.0 1.0 CD B:GLU72 2.7 11.8 1.0 OE1 B:GLU72 2.7 12.3 1.0 CE1 B:HIS196 3.0 13.0 1.0 CE1 B:HIS69 3.0 9.9 1.0 CG B:HIS69 3.1 10.8 1.0 CG B:HIS196 3.2 13.4 1.0 CB B:HIS69 3.5 11.4 1.0 CB B:HIS196 3.6 14.2 1.0 O B:HOH2024 4.0 14.4 1.0 NH1 B:ARG127 4.0 12.5 1.0 CA C:ALA53 4.1 14.5 1.0 NE2 B:HIS196 4.1 13.7 1.0 NE2 B:HIS69 4.1 11.1 1.0 CG B:GLU72 4.2 13.0 1.0 CD2 B:HIS69 4.2 11.3 1.0 CD2 B:HIS196 4.3 13.0 1.0 O B:SER197 4.3 13.3 1.0 N B:NO31309 4.3 13.9 0.9 O3 B:NO31309 4.3 14.9 0.5 O1 B:NO31309 4.4 14.2 0.9 O B:HOH2022 4.4 14.4 1.0 CA B:HIS196 4.5 14.3 1.0 OE2 B:GLU270 4.7 17.1 1.0 N B:SER197 4.8 13.4 1.0 O2 B:NO31309 4.8 14.4 0.9 CZ B:ARG127 4.9 12.8 1.0 CA B:HIS69 4.9 10.4 1.0 N C:ALA53 4.9 12.6 1.0

G.Covaleda, M.Alonso Del Rivero, M.A.Chavez, F.X.Aviles, D.Reverter. Crystal Structure of A Novel Metallo-Carboxypeptidase Inhibitor From the Marine Mollusk Nerita Versicolor in Complex with Human Carboxypeptidase A4. J.Biol.Chem. V. 287 9250 2012.
ISSN: ISSN 0021-9258
PubMed: 22294694
DOI: 10.1074/JBC.M111.330100