Chlorine in PDB 7bf0: Zn-Bound Domain 3 of CDCA1 in Complex with Carbon Dioxide

The structure of Zn-Bound Domain 3 of CDCA1 in Complex with Carbon Dioxide, PDB code: 7bf0 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.576, 62.712, 75.018, 90, 119.78, 90
R / Rfree (%)	21.5 / 24.6

The structure of Zn-Bound Domain 3 of CDCA1 in Complex with Carbon Dioxide also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Zn-Bound Domain 3 of CDCA1 in Complex with Carbon Dioxide (pdb code 7bf0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Zn-Bound Domain 3 of CDCA1 in Complex with Carbon Dioxide, PDB code: 7bf0:

Chlorine binding site 1 out of 1 in the Zn-Bound Domain 3 of CDCA1 in Complex with Carbon Dioxide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Zn-Bound Domain 3 of CDCA1 in Complex with Carbon Dioxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:25.4 occ:1.00 ZN A:ZN701 2.3 20.5 1.0 C A:CO2703 3.1 32.8 1.0 N A:GLY510 3.1 20.6 1.0 OD2 A:ASP449 3.2 27.9 1.0 NE2 A:HIS499 3.2 17.6 1.0 O1 A:CO2703 3.3 31.3 1.0 O2 A:CO2703 3.3 32.3 1.0 CE1 A:HIS499 3.5 19.5 1.0 CA A:CYS509 3.6 20.4 1.0 CG A:ASP449 3.7 26.3 1.0 SG A:CYS447 3.7 18.0 1.0 O A:HOH837 3.7 33.6 1.0 C A:CYS509 3.8 21.2 1.0 CB A:ASP449 3.8 22.6 1.0 SG A:CYS509 3.9 19.1 1.0 CE1 A:HIS553 4.0 30.1 1.0 O A:GLY508 4.0 22.8 1.0 CA A:GLY510 4.1 21.9 1.0 NE2 A:HIS553 4.1 30.7 1.0 NH2 A:ARG451 4.1 24.3 1.0 CB A:CYS509 4.2 19.8 1.0 N A:PHE511 4.4 21.9 1.0 CD2 A:HIS499 4.6 18.7 1.0 OD1 A:ASP449 4.6 27.9 1.0 CA A:ASP449 4.7 23.3 1.0 N A:CYS509 4.7 20.4 1.0 ND1 A:HIS499 4.8 19.2 1.0 C A:GLY508 4.8 22.7 1.0 C A:GLY510 4.8 23.4 1.0 CB A:CYS447 4.9 20.5 1.0 O A:CYS509 5.0 19.8 1.0

V.Alterio, E.Langella, M.Buonanno, D.Esposito, A.Nocentini, E.Berrino, S.Bua, M.Polentarutti, C.T.Supuran, S.M.Monti, G.De Simone. Zeta-Carbonic Anhydrases Show Cs 2 Hydrolase Activity: A New Metabolic Carbon Acquisition Pathway in Diatoms? Comput Struct Biotechnol J V. 19 3427 2021.
ISSN: ESSN 2001-0370
PubMed: 34194668
DOI: 10.1016/J.CSBJ.2021.05.057