Zinc in PDB 4waj: H. Influenzae Beta-Carbonic Anhydase Variant P48S/A49P

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

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

Resolution Low / High (Å)	75.66 / 2.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.777, 82.777, 186.496, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 23.2

The binding sites of Zinc atom in the H. Influenzae Beta-Carbonic Anhydase Variant P48S/A49P (pdb code 4waj). 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 Anhydase Variant P48S/A49P, PDB code: 4waj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the H. Influenzae Beta-Carbonic Anhydase Variant 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 Anhydase Variant P48S/A49P within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:32.4 occ:1.00 OD2 A:ASP44 2.0 36.7 0.7 NE2 A:HIS98 2.2 41.0 1.0 SG A:CYS101 2.3 36.5 1.0 SG A:CYS42 2.3 29.1 1.0 CG A:ASP44 2.8 35.3 0.7 CE1 A:HIS98 2.9 41.2 1.0 CB A:ASP44 3.2 36.5 0.7 CB A:CYS42 3.3 29.5 1.0 CB A:CYS101 3.3 40.1 1.0 CD2 A:HIS98 3.3 41.3 1.0 CB A:ASP44 3.3 35.9 0.3 CA A:CYS101 3.6 41.2 1.0 OD1 A:ASP44 3.7 34.0 0.7 ND1 A:HIS98 4.1 41.4 1.0 N A:GLY102 4.2 37.8 1.0 C A:CYS101 4.2 39.8 1.0 CG A:ASP44 4.3 35.9 0.3 CG A:HIS98 4.3 40.0 1.0 N A:ASP44 4.4 34.4 1.0 CA A:ASP44 4.4 36.5 0.7 CA A:ASP44 4.4 36.3 0.3 OD2 A:ASP44 4.4 35.1 0.3 N A:GLY103 4.5 35.1 1.0 O A:HOH413 4.6 14.1 1.0 CA A:CYS42 4.7 27.9 1.0 N A:ALA67 4.8 21.1 1.0 CA A:ALA67 4.9 22.1 1.0 N A:CYS101 5.0 43.9 1.0

Zinc binding site 2 out of 2 in the H. Influenzae Beta-Carbonic Anhydase Variant 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 Anhydase Variant P48S/A49P within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:35.2 occ:1.00 OD2 B:ASP44 2.1 39.4 1.0 NE2 B:HIS98 2.2 40.1 1.0 SG B:CYS42 2.3 33.8 1.0 SG B:CYS101 2.3 34.7 1.0 CG B:ASP44 2.8 37.8 1.0 CE1 B:HIS98 2.9 39.6 1.0 CB B:CYS42 3.2 31.9 1.0 CB B:CYS101 3.3 36.8 1.0 CD2 B:HIS98 3.3 39.2 1.0 CB B:ASP44 3.3 36.6 1.0 CA B:CYS101 3.6 37.8 1.0 OD1 B:ASP44 3.6 39.4 1.0 N B:GLY102 4.0 35.6 1.0 ND1 B:HIS98 4.1 39.0 1.0 C B:CYS101 4.2 37.3 1.0 O B:HOH405 4.3 42.1 1.0 CG B:HIS98 4.3 39.0 1.0 O B:HOH436 4.4 23.7 1.0 N B:ASP44 4.4 34.0 1.0 CA B:ASP44 4.5 36.2 1.0 CA B:CYS42 4.6 29.8 1.0 N B:GLY103 4.7 34.6 1.0 N B:ALA67 4.7 25.1 1.0 CA B:ALA67 4.8 24.8 1.0 OD1 B:ASN68 4.9 26.8 1.0 N B:CYS101 5.0 42.7 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