Zinc in PDB 3e1w: H. Influenzae Beta-Carbonic Anhydrase, Variant D44N in 100 Mm Sodium Bicarbonate

All present enzymatic activity of H. Influenzae Beta-Carbonic Anhydrase, Variant D44N in 100 Mm Sodium Bicarbonate:
4.2.1.1;

The structure of H. Influenzae Beta-Carbonic Anhydrase, Variant D44N in 100 Mm Sodium Bicarbonate, PDB code: 3e1w was solved by R.S.Rowlett, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.72 / 2.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.450, 78.450, 182.104, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 23.9

The binding sites of Zinc atom in the H. Influenzae Beta-Carbonic Anhydrase, Variant D44N in 100 Mm Sodium Bicarbonate (pdb code 3e1w). 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 D44N in 100 Mm Sodium Bicarbonate, PDB code: 3e1w:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the H. Influenzae Beta-Carbonic Anhydrase, Variant D44N in 100 Mm Sodium Bicarbonate


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 D44N in 100 Mm Sodium Bicarbonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn230 b:55.9 occ:1.00 NE2 A:HIS98 2.0 56.4 1.0 SG A:CYS101 2.3 55.8 1.0 SG A:CYS42 2.3 56.8 1.0 O A:HOH231 2.6 43.0 1.0 CE1 A:HIS98 2.7 56.6 1.0 CB A:CYS101 3.1 55.1 1.0 CD2 A:HIS98 3.1 55.9 1.0 CB A:CYS42 3.2 57.8 1.0 CA A:CYS101 3.5 55.0 1.0 CB A:ASN44 3.6 60.1 1.0 N A:GLY102 3.8 54.5 1.0 ND1 A:HIS98 3.9 56.6 1.0 C A:CYS101 3.9 54.6 1.0 CG A:HIS98 4.1 55.6 1.0 N A:ALA67 4.3 52.9 1.0 N A:GLY103 4.3 55.2 1.0 CG A:ASN44 4.3 59.2 1.0 OD1 A:ASN44 4.4 57.1 1.0 CA A:ALA67 4.5 53.3 1.0 CA A:CYS42 4.6 57.9 1.0 N A:ASN44 4.7 59.2 1.0 CA A:ASN44 4.7 60.1 1.0 O A:CYS101 4.8 54.3 1.0 CA A:GLY102 4.8 54.6 1.0 N A:CYS101 4.8 55.5 1.0

Zinc binding site 2 out of 2 in the H. Influenzae Beta-Carbonic Anhydrase, Variant D44N in 100 Mm Sodium Bicarbonate


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 D44N in 100 Mm Sodium Bicarbonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn230 b:56.6 occ:1.00 NE2 B:HIS98 2.1 55.8 1.0 SG B:CYS101 2.3 55.4 1.0 SG B:CYS42 2.3 62.7 1.0 O B:HOH232 2.8 43.9 1.0 CE1 B:HIS98 3.0 54.5 1.0 CD2 B:HIS98 3.1 55.4 1.0 CB B:CYS101 3.1 54.1 1.0 CB B:CYS42 3.3 63.4 1.0 CA B:CYS101 3.4 54.3 1.0 OD1 B:ASN44 3.5 76.4 1.0 CB B:ASN44 3.6 74.0 1.0 N B:GLY102 3.8 54.6 1.0 C B:CYS101 3.9 54.1 1.0 CG B:ASN44 3.9 74.3 1.0 ND1 B:HIS98 4.1 53.1 1.0 CG B:HIS98 4.2 54.9 1.0 N B:GLY103 4.2 55.5 1.0 N B:ALA67 4.4 52.0 1.0 N B:ASN44 4.6 71.6 1.0 CA B:ALA67 4.6 52.2 1.0 CA B:CYS42 4.7 63.8 1.0 CA B:ASN44 4.7 73.4 1.0 N B:CYS101 4.7 54.8 1.0 CA B:GLY103 4.8 55.8 1.0 O B:CYS101 4.9 53.4 1.0 CA B:GLY102 5.0 54.9 1.0

R.S.Rowlett, C.Tu, J.Lee, A.G.Herman, D.A.Chapnick, S.H.Shah, P.C.Gareiss. Allosteric Site Variants of Haemophilus Influenzae Beta-Carbonic Anhydrase. Biochemistry V. 48 6146 2009.
ISSN: ISSN 0006-2960
PubMed: 19459702
DOI: 10.1021/BI900663H