Chlorine in PDB 5ci1: Ribonucleotide Reductase Y122 2,3-F2Y Variant

All present enzymatic activity of Ribonucleotide Reductase Y122 2,3-F2Y Variant:
1.17.4.1;

The structure of Ribonucleotide Reductase Y122 2,3-F2Y Variant, PDB code: 5ci1 was solved by M.A.Funk, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.95
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.589, 90.589, 209.468, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 18.3

The structure of Ribonucleotide Reductase Y122 2,3-F2Y Variant also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Iron	(Fe)	2 atoms

The binding sites of Chlorine atom in the Ribonucleotide Reductase Y122 2,3-F2Y Variant (pdb code 5ci1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ribonucleotide Reductase Y122 2,3-F2Y Variant, PDB code: 5ci1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ribonucleotide Reductase Y122 2,3-F2Y Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ribonucleotide Reductase Y122 2,3-F2Y Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:88.4 occ:1.00 O A:HOH629 4.0 54.8 1.0

Chlorine binding site 2 out of 2 in the Ribonucleotide Reductase Y122 2,3-F2Y Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ribonucleotide Reductase Y122 2,3-F2Y Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:81.6 occ:1.00 HH22 A:ARG253 2.8 75.0 1.0 HH12 A:ARG253 3.0 71.1 1.0 HA2 A:GLY320 3.4 64.8 1.0 NH2 A:ARG253 3.6 62.5 1.0 NH1 A:ARG253 3.8 59.2 1.0 HA3 A:GLY320 3.9 64.8 1.0 O A:HOH627 4.0 49.3 1.0 CA A:GLY320 4.1 54.0 1.0 CZ A:ARG253 4.1 61.4 1.0 HH21 A:ARG253 4.2 75.0 1.0 HH11 A:ARG253 4.5 71.1 1.0 N A:GLY320 5.0 52.7 1.0

P.H.Oyala, K.R.Ravichandran, M.A.Funk, P.A.Stucky, T.A.Stich, C.L.Drennan, R.D.Britt, J.Stubbe. Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated Into Enzymes: E. Coli Ribonucleotide Reductase As An Example. J.Am.Chem.Soc. V. 138 7951 2016.
ISSN: ESSN 1520-5126
PubMed: 27276098
DOI: 10.1021/JACS.6B03605