Zinc in PDB 4wam: H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A/P48S/A49P

All present enzymatic activity of H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A/P48S/A49P:
4.2.1.1;

The structure of H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A/P48S/A49P, PDB code: 4wam was solved by R.S.Rowlett, K.M.Hoffman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	96.56 / 2.20
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.162, 130.259, 143.868, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 28.7

The binding sites of Zinc atom in the H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A/P48S/A49P (pdb code 4wam). 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/P48S/A49P, PDB code: 4wam:
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/P48S/A49P


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/P48S/A49P within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:12.8 occ:1.00 OD1 A:ASP44 2.0 21.1 1.0 NE2 A:HIS98 2.0 17.8 1.0 SG A:CYS101 2.2 15.8 1.0 SG A:CYS42 2.3 14.7 1.0 CG A:ASP44 2.7 20.8 1.0 CE1 A:HIS98 2.9 17.7 1.0 OD2 A:ASP44 2.9 20.2 1.0 CD2 A:HIS98 3.1 17.2 1.0 CB A:CYS42 3.2 14.4 1.0 CB A:CYS101 3.3 17.7 1.0 CA A:CYS101 3.6 19.2 1.0 ND1 A:HIS98 4.0 18.3 1.0 N A:GLY102 4.1 18.1 1.0 CB A:ASP44 4.1 21.7 1.0 O A:HOH423 4.1 14.7 1.0 C A:CYS101 4.2 18.1 1.0 CG A:HIS98 4.2 18.1 1.0 N A:ASP44 4.4 19.2 1.0 C A:ASP44 4.4 26.5 1.0 N A:SER45 4.5 30.0 1.0 CA A:ASP44 4.5 22.2 1.0 N A:GLY103 4.5 16.0 1.0 CA A:CYS42 4.6 14.1 1.0 N A:ALA67 4.7 11.5 1.0 O A:ASP44 4.8 32.4 1.0 CA A:ALA67 4.9 11.4 1.0 N A:CYS101 5.0 20.8 1.0 C A:CYS42 5.0 14.7 1.0

Zinc binding site 2 out of 2 in the H. Influenzae Beta-Carbonic Anhydrase Variant W39V/G41A/P48S/A49P


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/P48S/A49P within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:15.6 occ:1.00 OD1 B:ASP44 2.0 19.5 1.0 NE2 B:HIS98 2.1 17.7 1.0 SG B:CYS101 2.2 16.2 1.0 SG B:CYS42 2.3 15.4 1.0 CG B:ASP44 2.9 19.9 1.0 CE1 B:HIS98 3.0 18.6 1.0 CD2 B:HIS98 3.0 17.6 1.0 CB B:CYS101 3.2 17.0 1.0 CB B:CYS42 3.2 14.8 1.0 OD2 B:ASP44 3.2 18.8 1.0 CA B:CYS101 3.6 18.2 1.0 N B:GLY102 4.1 17.5 1.0 C B:CYS101 4.1 17.2 1.0 O B:HOH427 4.1 16.8 1.0 ND1 B:HIS98 4.2 19.0 1.0 CG B:HIS98 4.2 18.0 1.0 CB B:ASP44 4.2 20.6 1.0 C B:ASP44 4.2 26.2 1.0 N B:SER45 4.3 31.5 1.0 N B:ASP44 4.4 18.3 1.0 N B:GLY103 4.4 15.6 1.0 CA B:ASP44 4.5 21.4 1.0 O B:ASP44 4.6 29.3 1.0 CA B:CYS42 4.6 13.8 1.0 CA B:SER45 4.9 35.6 1.0 N B:ALA67 4.9 10.0 1.0 CA B:ALA67 4.9 10.0 1.0 O B:CYS101 4.9 17.2 1.0 C B:CYS42 5.0 14.6 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