Zinc in PDB 5bq1: Capturing Carbon Dioxide in Beta Carbonic Anhydrase

All present enzymatic activity of Capturing Carbon Dioxide in Beta Carbonic Anhydrase:
4.2.1.1;

The structure of Capturing Carbon Dioxide in Beta Carbonic Anhydrase, PDB code: 5bq1 was solved by M.Aggarwal, T.K.Chua, M.A.Pinard, D.M.Szebenyi, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.17 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.874, 78.114, 87.707, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.9

The binding sites of Zinc atom in the Capturing Carbon Dioxide in Beta Carbonic Anhydrase (pdb code 5bq1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Capturing Carbon Dioxide in Beta Carbonic Anhydrase, PDB code: 5bq1:

Zinc binding site 1 out of 1 in the Capturing Carbon Dioxide in Beta Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Capturing Carbon Dioxide in Beta Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:22.5 occ:1.00 O A:HOH413 2.1 24.5 1.0 NE2 A:HIS98 2.1 21.1 1.0 SG A:CYS42 2.3 21.0 1.0 SG A:CYS101 2.3 22.5 1.0 CD2 A:HIS98 3.0 22.8 1.0 CE1 A:HIS98 3.1 23.5 1.0 CB A:CYS42 3.2 20.3 1.0 CB A:CYS101 3.2 22.3 1.0 O1 A:CO2302 3.6 39.9 1.0 CA A:CYS101 3.6 21.3 1.0 C A:CO2302 3.6 42.6 1.0 CB A:ASP44 3.8 20.9 1.0 OD2 A:ASP44 4.0 23.8 1.0 O2 A:CO2302 4.0 39.4 1.0 N A:GLY102 4.1 27.8 1.0 ND1 A:HIS98 4.2 23.0 1.0 CG A:HIS98 4.2 21.5 1.0 C A:CYS101 4.3 26.7 1.0 O A:HOH411 4.3 22.1 1.0 CG A:ASP44 4.4 22.3 1.0 CA A:ALA67 4.5 20.9 1.0 N A:ALA67 4.6 20.6 1.0 CA A:CYS42 4.7 19.5 1.0 N A:ASP44 4.8 20.6 1.0 N A:GLY103 4.8 27.6 1.0 N A:CYS101 4.9 25.1 1.0 CA A:ASP44 4.9 22.3 1.0 OD1 A:ASN68 5.0 21.1 1.0

M.Aggarwal, T.K.Chua, M.A.Pinard, D.M.Szebenyi, R.Mckenna. Carbon Dioxide "Trapped" in A Beta-Carbonic Anhydrase. Biochemistry V. 54 6631 2015.
ISSN: ISSN 0006-2960
PubMed: 26457866
DOI: 10.1021/ACS.BIOCHEM.5B00987