Chlorine in PDB 6dqx: Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit

All present enzymatic activity of Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit:
1.17.4.1;

The structure of Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit, PDB code: 6dqx was solved by M.J.Mcbride, G.M.Palowitch, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.76
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.984, 97.984, 132.005, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.4

The structure of Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit (pdb code 6dqx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit, PDB code: 6dqx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:15.9 occ:1.00 O A:HOH822 3.1 16.2 1.0 N A:LEU254 3.3 13.8 1.0 OG A:SER115 3.3 13.7 1.0 N A:PHE86 3.4 15.5 1.0 C A:THR114 3.5 15.4 1.0 O A:PHE86 3.5 15.9 1.0 CB A:ASN253 3.5 12.1 1.0 CA A:THR114 3.6 18.6 1.0 N A:SER115 3.7 13.4 1.0 CB A:CYS85 3.7 16.4 1.0 N A:THR114 3.7 21.9 1.0 CA A:CYS85 3.7 16.5 1.0 CB A:SER115 3.7 13.2 1.0 O A:GLY113 3.7 24.6 1.0 C A:GLY113 3.8 26.6 1.0 CB A:LEU254 3.9 16.1 1.0 O A:THR114 3.9 14.6 1.0 CA A:ASN253 3.9 12.6 1.0 C A:PHE86 4.0 15.6 1.0 C A:CYS85 4.1 16.6 1.0 C A:ASN253 4.1 12.7 1.0 CA A:LEU254 4.2 14.7 1.0 CA A:PHE86 4.3 15.8 1.0 CA A:SER115 4.3 13.3 1.0 ND2 A:ASN253 4.5 11.8 1.0 CG A:ASN253 4.6 11.7 1.0 CA A:GLY113 4.7 31.1 1.0 N A:GLY87 4.9 14.0 1.0 O A:GLY112 5.0 45.4 1.0 O A:SER84 5.0 19.7 1.0

Chlorine binding site 2 out of 2 in the Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Actinobacillus Ureae Class Id Ribonucleotide Reductase Alpha Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:15.9 occ:1.00 O A:HOH946 3.1 27.8 1.0 NH2 A:ARG386 3.2 14.2 1.0 NH1 A:ARG386 3.2 15.0 1.0 N A:VAL241 3.3 14.6 1.0 O A:HOH884 3.4 25.3 1.0 N A:ASP240 3.7 15.4 1.0 CZ A:ARG386 3.7 13.9 1.0 CB A:ASP240 3.8 19.0 1.0 CB A:VAL241 3.9 14.8 1.0 CD2 A:TYR384 3.9 17.3 1.0 CG1 A:VAL241 4.0 15.9 1.0 CA A:ASP240 4.0 17.1 1.0 CB A:PRO239 4.1 15.7 1.0 C A:ASP240 4.1 16.0 1.0 CA A:VAL241 4.1 14.8 1.0 CE2 A:TYR384 4.2 17.9 1.0 C A:PRO239 4.3 15.9 1.0 CA A:PRO239 4.6 15.1 1.0 CG A:ASP240 4.8 21.5 1.0 CG A:TYR384 4.9 16.5 1.0 O A:HOH950 4.9 28.6 1.0 O A:HOH866 5.0 37.1 1.0

H.R.Rose, A.O.Maggiolo, M.J.Mcbride, G.M.Palowitch, M.E.Pandelia, K.M.Davis, N.H.Yennawar, A.K.Boal. Structures of Class Id Ribonucleotide Reductase Catalytic Subunits Reveal A Minimal Architecture For Deoxynucleotide Biosynthesis. Biochemistry V. 58 1845 2019.
ISSN: ISSN 1520-4995
PubMed: 30855138
DOI: 10.1021/ACS.BIOCHEM.8B01252