Zinc in PDB 2v77: Crystal Structure of Human Carboxypeptidase A1

All present enzymatic activity of Crystal Structure of Human Carboxypeptidase A1:
3.14.17.1;

The structure of Crystal Structure of Human Carboxypeptidase A1, PDB code: 2v77 was solved by I.Pallares, D.Fernandez, M.Comellas-Bigler, J.Fernandez-Recio, S.Ventura, F.X.Aviles, J.Vendrell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	129.565, 129.565, 90.856, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 19.2

The binding sites of Zinc atom in the Crystal Structure of Human Carboxypeptidase A1 (pdb code 2v77). 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 Human Carboxypeptidase A1, PDB code: 2v77:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human Carboxypeptidase A1


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 Human Carboxypeptidase A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1042 b:16.7 occ:1.00 OE1 A:GLU72 2.0 16.9 1.0 O22 A:PAY400 2.1 17.6 1.0 ND1 A:HIS196 2.1 15.9 1.0 ND1 A:HIS69 2.1 16.5 1.0 O21 A:PAY400 2.5 17.8 1.0 C2 A:PAY400 2.6 18.3 1.0 CD A:GLU72 2.8 16.0 1.0 OE2 A:GLU72 2.9 17.0 1.0 CE1 A:HIS196 3.0 15.2 1.0 CE1 A:HIS69 3.1 17.8 1.0 CG A:HIS69 3.2 16.2 1.0 CG A:HIS196 3.2 14.3 1.0 CB A:HIS69 3.5 14.7 1.0 CB A:HIS196 3.6 14.9 1.0 O A:HOH2365 3.8 17.6 1.0 NH2 A:ARG127 4.1 16.1 1.0 C21 A:PAY400 4.1 19.9 1.0 NE2 A:HIS196 4.1 16.0 1.0 CG A:GLU72 4.2 16.2 1.0 NE2 A:HIS69 4.2 17.0 1.0 CD2 A:HIS196 4.3 14.3 1.0 CD2 A:HIS69 4.3 15.4 1.0 O A:SER197 4.3 29.2 1.0 O A:HOH2138 4.5 15.9 1.0 CA A:HIS196 4.6 15.0 1.0 O32 A:PAY400 4.6 21.1 1.0 C31 A:PAY400 4.6 22.6 1.0 C3 A:PAY400 4.7 19.8 1.0 OE1 A:GLU270 4.8 23.9 1.0 C22 A:PAY400 4.8 20.9 1.0 CA A:HIS69 4.9 15.4 1.0 N A:SER197 4.9 19.9 1.0 CZ A:ARG127 5.0 16.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Carboxypeptidase A1


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 Human Carboxypeptidase A1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1042 b:14.0 occ:1.00 OE1 B:GLU72 2.0 13.7 1.0 ND1 B:HIS196 2.1 13.5 1.0 O22 B:PAY400 2.1 16.1 1.0 ND1 B:HIS69 2.1 12.8 1.0 O21 B:PAY400 2.5 16.0 1.0 C2 B:PAY400 2.6 15.5 1.0 CD B:GLU72 2.7 13.0 1.0 OE2 B:GLU72 2.8 13.0 1.0 CE1 B:HIS196 3.0 13.8 1.0 CE1 B:HIS69 3.0 14.0 1.0 CG B:HIS196 3.1 12.2 1.0 CG B:HIS69 3.1 13.0 1.0 CB B:HIS196 3.5 13.4 1.0 CB B:HIS69 3.5 13.4 1.0 O B:HOH2399 3.8 16.5 1.0 C21 B:PAY400 4.1 17.4 1.0 NH2 B:ARG127 4.1 15.6 1.0 NE2 B:HIS196 4.1 14.1 1.0 NE2 B:HIS69 4.2 12.6 1.0 CG B:GLU72 4.2 14.1 1.0 CD2 B:HIS196 4.2 13.9 1.0 CD2 B:HIS69 4.3 13.8 1.0 O B:SER197 4.4 29.9 1.0 O B:HOH2155 4.5 13.5 1.0 O32 B:PAY400 4.5 16.6 1.0 CA B:HIS196 4.5 10.8 1.0 C31 B:PAY400 4.6 17.7 1.0 C3 B:PAY400 4.7 17.0 1.0 OE1 B:GLU270 4.8 22.1 1.0 N B:SER197 4.8 18.0 1.0 C22 B:PAY400 4.8 16.8 1.0 CA B:HIS69 4.9 12.5 1.0 CZ B:ARG127 5.0 14.4 1.0

I.Pallares, D.Fernandez, M.Comellas-Bigler, J.Fernandez-Recio, S.Ventura, F.X.Aviles, W.Bode, J.Vendrell. Direct Interaction Between A Human Digestive Protease and the Mucoadhesive Poly(Acrylic Acid). Acta Crystallogr. D Biol. V. D64 784 2008CRYSTALLOGR..
ISSN: ISSN 0907-4449
PubMed: 18566513
DOI: 10.1107/S0907444908013474