Zinc in PDB 4wak: H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A

All present enzymatic activity of H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A:
4.2.1.1;

The structure of H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A, PDB code: 4wak was solved by K.M.Hoffmann, R.S.Rowlett, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 2.49
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.330, 144.671, 129.010, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 25.4

The structure of H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Zinc atom in the H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A (pdb code 4wak). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A, PDB code: 4wak:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:21.7 occ:1.00 OD2 A:ASP44 2.0 33.5 1.0 NE2 A:HIS98 2.1 32.1 1.0 SG A:CYS101 2.3 26.0 1.0 SG A:CYS42 2.3 23.0 1.0 CG A:ASP44 2.8 35.6 1.0 CE1 A:HIS98 2.9 30.8 1.0 CB A:ASP44 3.0 37.4 1.0 CD2 A:HIS98 3.2 30.6 1.0 CB A:CYS42 3.2 22.3 1.0 CB A:CYS101 3.3 30.4 1.0 CA A:CYS101 3.6 31.5 1.0 OD1 A:ASP44 3.9 35.9 1.0 ND1 A:HIS98 4.1 30.6 1.0 N A:GLY102 4.2 29.8 1.0 C A:CYS101 4.2 29.5 1.0 O A:HOH426 4.2 9.1 1.0 CA A:ASP44 4.2 38.9 1.0 CG A:HIS98 4.3 30.1 1.0 N A:ASP44 4.3 32.7 1.0 N A:GLY103 4.5 26.3 1.0 CA A:CYS42 4.6 22.0 1.0 N A:ALA67 4.8 17.5 1.0 CA A:ALA67 4.9 17.7 1.0 N A:CYS101 4.9 34.5 1.0 C A:CYS42 4.9 22.3 1.0

Zinc binding site 2 out of 2 in the H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:22.6 occ:1.00 OD2 B:ASP44 2.0 28.9 1.0 NE2 B:HIS98 2.1 31.7 1.0 SG B:CYS101 2.3 25.8 1.0 SG B:CYS42 2.3 24.0 1.0 CG B:ASP44 2.8 29.7 1.0 CD2 B:HIS98 3.0 31.7 1.0 CB B:ASP44 3.0 32.5 1.0 CE1 B:HIS98 3.1 32.4 1.0 CB B:CYS42 3.2 24.6 1.0 CB B:CYS101 3.2 28.0 1.0 CA B:CYS101 3.7 28.7 1.0 OD1 B:ASP44 3.9 29.3 1.0 N B:GLY102 4.0 25.0 1.0 O B:HOH433 4.1 4.5 0.5 CG B:HIS98 4.1 32.1 1.0 C B:CYS101 4.2 26.4 1.0 ND1 B:HIS98 4.2 33.4 1.0 CA B:ASP44 4.3 35.0 1.0 N B:ASP44 4.4 30.6 1.0 N B:GLY103 4.5 22.5 1.0 CA B:CYS42 4.7 23.8 1.0 N B:ALA67 4.7 16.7 1.0 CA B:ALA67 4.9 16.8 1.0

K.M.Hoffmann, H.R.Million-Perez, R.Merkhofer, H.Nicholson, R.S.Rowlett. Allosteric Reversion of Haemophilus Influenzae Beta-Carbonic Anhydrase Via A Proline Shift. Biochemistry V. 54 598 2015.
ISSN: ISSN 0006-2960
PubMed: 25506786
DOI: 10.1021/BI501116E