Chlorine in PDB 8a5g: Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant

The structure of Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant, PDB code: 8a5g was solved by P.T.Borges, F.Rollo, E.Moe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.50 / 1.89
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.345, 38.827, 71.988, 90, 99.71, 90
R / Rfree (%)	23.8 / 28.9

The structure of Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant (pdb code 8a5g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant, PDB code: 8a5g:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:35.1 occ:1.00 NE1 A:TRP156 3.4 36.4 1.0 CA A:GLY126 3.4 28.3 1.0 N A:ASP123 3.4 29.8 1.0 N A:GLY126 3.6 33.2 1.0 O A:ASP123 3.6 30.9 1.0 CB A:ASP123 3.7 27.0 1.0 CD A:PRO122 3.8 34.1 1.0 CB A:PRO122 3.9 40.1 1.0 CA A:ASP123 4.0 30.6 1.0 N A:PRO122 4.1 36.3 1.0 CG A:PRO122 4.2 36.8 1.0 CD1 A:TRP156 4.2 34.1 1.0 C A:ASP123 4.3 31.4 1.0 C A:PRO122 4.3 36.8 1.0 CA A:PRO122 4.4 36.7 1.0 CE2 A:TRP156 4.4 31.7 1.0 CB A:PHE121 4.5 22.9 1.0 C A:GLY126 4.7 28.1 1.0 CZ2 A:TRP156 4.8 30.9 1.0 C A:PHE121 4.8 33.8 1.0 C A:LEU125 4.9 28.4 1.0 CH2 A:TRP146 5.0 28.4 1.0 CD2 A:PHE121 5.0 29.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Deinococcus Radiodurans Endonuclease III-3 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:45.6 occ:1.00 NE2 A:GLN145 2.9 31.8 1.0 O A:HOH540 3.2 46.5 1.0 N A:LEU178 3.3 45.2 1.0 C A:LEU178 3.4 40.0 1.0 CA A:GLY176 3.5 46.8 1.0 N A:SER179 3.6 39.1 1.0 N A:GLY177 3.7 42.1 1.0 CA A:SER179 3.7 39.0 1.0 OG A:SER179 3.7 52.4 1.0 C A:GLY176 3.7 41.4 1.0 O A:LEU178 3.8 42.2 1.0 CA A:LEU178 3.8 41.9 1.0 CD A:GLN145 3.9 36.6 1.0 OE1 A:GLN145 4.1 34.3 1.0 CB A:SER179 4.3 39.5 1.0 CD A:LYS182 4.3 31.7 1.0 CB A:LEU178 4.3 42.9 1.0 C A:GLY177 4.3 48.5 1.0 CB A:LEU171 4.4 24.1 1.0 O A:GLY176 4.6 45.1 1.0 CA A:GLY177 4.6 42.0 1.0 N A:GLY176 4.7 42.5 1.0 CG A:LYS182 4.7 31.9 1.0 NZ A:LYS182 4.8 27.8 1.0 CD1 A:LEU171 4.8 24.9 1.0 CB A:LYS182 4.9 33.9 1.0 ND2 A:ASN137 4.9 47.8 1.0 O A:LEU171 4.9 25.9 1.0 CE A:LYS182 5.0 31.5 1.0

F.Rollo, P.T.Borges, C.M.Silveira, M.T.G.Rosa, S.Todorovic, E.Moe. Disentangling Unusual Catalytic Properties and the Role of the [4FE-4S] Cluster of Three Endonuclease III From the Extremophile D. Radiodurans. Molecules V. 27 2022.
ISSN: ESSN 1420-3049
PubMed: 35807515
DOI: 10.3390/MOLECULES27134270