Zinc in PDB 5a25: Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst

All present enzymatic activity of Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst:
4.2.1.1;

The structure of Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst, PDB code: 5a25 was solved by A.Warden, J.Newman, T.S.Peat, S.Seabrook, M.Williams, G.Dojchinov, V.Haritos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.84 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.331, 79.440, 61.521, 90.00, 106.98, 90.00
R / Rfree (%)	15.308 / 19.689

The structure of Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Zinc atom in the Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst (pdb code 5a25). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst, PDB code: 5a25:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn280 b:10.6 occ:1.00 O A:HOH2099 1.9 18.4 1.0 NE2 A:HIS94 2.0 8.9 1.0 NE2 A:HIS96 2.1 9.8 1.0 ND1 A:HIS119 2.1 10.7 1.0 CD2 A:HIS96 3.0 9.5 1.0 CD2 A:HIS94 3.0 8.6 1.0 CE1 A:HIS119 3.0 10.4 1.0 CE1 A:HIS94 3.0 8.8 1.0 CG A:HIS119 3.2 9.9 1.0 CE1 A:HIS96 3.2 9.7 1.0 O A:HOH2173 3.2 18.2 1.0 CB A:HIS119 3.6 9.0 1.0 O A:HOH2098 3.7 19.0 1.0 OG1 A:THR198 3.8 12.1 1.0 ND1 A:HIS94 4.1 8.4 1.0 CG A:HIS94 4.1 8.7 1.0 OE1 A:GLU106 4.2 12.5 1.0 NE2 A:HIS119 4.2 10.9 1.0 CG A:HIS96 4.2 8.9 1.0 ND1 A:HIS96 4.2 9.1 1.0 CD2 A:HIS119 4.3 10.1 1.0 O A:HOH2006 4.9 17.0 1.0

Zinc binding site 2 out of 2 in the Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn280 b:11.6 occ:1.00 O B:HOH2073 1.8 25.3 1.0 NE2 B:HIS94 2.1 10.8 1.0 ND1 B:HIS119 2.1 11.3 1.0 NE2 B:HIS96 2.2 10.9 1.0 CD2 B:HIS94 3.0 10.4 1.0 CE1 B:HIS119 3.0 11.0 1.0 CD2 B:HIS96 3.0 10.7 1.0 CE1 B:HIS94 3.1 10.5 1.0 CG B:HIS119 3.1 10.0 1.0 CE1 B:HIS96 3.2 10.3 1.0 O B:HOH2144 3.3 25.6 1.0 CB B:HIS119 3.5 9.7 1.0 OG1 B:THR198 3.7 11.8 1.0 O A:HOH2205 3.8 30.7 1.0 NE2 B:HIS119 4.1 10.7 1.0 CG B:HIS94 4.1 10.3 1.0 ND1 B:HIS94 4.2 10.7 1.0 CG B:HIS96 4.2 10.3 1.0 OE1 B:GLU106 4.2 10.6 1.0 CD2 B:HIS119 4.2 10.4 1.0 ND1 B:HIS96 4.3 10.0 1.0 O A:HOH2146 4.4 21.3 1.0 O B:HOH2055 4.6 27.2 1.0 CA B:HIS119 5.0 9.4 1.0 CB B:THR198 5.0 12.6 1.0

A.Warden, J.Newman, T.S.Peat, S.Seabrook, M.Williams, G.Dojchinov, V.Haritos. Rational Engineering of A Mesophilic Carbonic Anhydrase to An Extreme Halotolerant Biocatalyst To Be Published.