Iron in PDB 2ani: Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis

All present enzymatic activity of Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis:
1.17.4.1;

The structure of Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis, PDB code: 2ani was solved by M.Hogbom, P.Stenmark, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.560, 62.560, 171.000, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 22.6

The structure of Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis also contains other interesting chemical elements:

Lead

(Pb)

1 atom

The binding sites of Iron atom in the Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis (pdb code 2ani). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis, PDB code: 2ani:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe347 b:32.9 occ:1.00 OE2 A:GLU193 1.6 35.1 1.0 O A:HOH761 2.1 5.2 1.0 ND1 A:HIS230 2.2 18.7 1.0 OE2 A:GLU120 2.2 37.0 1.0 OE1 A:GLU227 2.3 29.1 1.0 OE2 A:GLU227 2.5 24.0 1.0 CD A:GLU227 2.7 25.9 1.0 CD A:GLU193 2.8 26.3 1.0 CD A:GLU120 3.0 29.9 1.0 CE1 A:HIS230 3.0 23.8 1.0 OE1 A:GLU120 3.1 34.2 1.0 CG A:HIS230 3.3 16.7 1.0 CG A:GLU193 3.4 24.6 1.0 FE A:FE348 3.5 21.5 1.0 CB A:HIS230 3.8 16.0 1.0 OE1 A:GLU193 3.8 32.6 1.0 CG1 A:VAL92 4.2 16.3 1.0 CG A:GLU227 4.2 25.4 1.0 NE2 A:HIS230 4.2 18.1 1.0 OE1 A:GLN116 4.2 23.7 1.0 O A:HOH781 4.3 35.0 1.0 CE2 A:PHE197 4.3 36.9 1.0 CD2 A:HIS230 4.4 18.2 1.0 CB A:GLU193 4.4 19.9 1.0 CG A:GLU120 4.5 22.5 1.0 CA A:GLU227 4.8 19.2 1.0 OE1 A:GLU89 4.9 37.9 1.0 CG A:GLN116 4.9 17.7 1.0 CB A:GLU227 4.9 21.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the F127Y Mutant of Ribonucleotide Reductase R2 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe348 b:21.5 occ:1.00 O A:HOH781 1.3 35.0 1.0 OE1 A:GLU89 2.0 37.9 1.0 O A:HOH761 2.1 5.2 1.0 OE1 A:GLU120 2.3 34.2 1.0 OE2 A:GLU227 2.4 24.0 1.0 ND1 A:HIS123 2.5 16.8 1.0 CD A:GLU89 2.8 38.1 1.0 OE2 A:GLU89 3.0 37.2 1.0 CE1 A:HIS123 3.3 17.4 1.0 CD A:GLU227 3.3 25.9 1.0 FE A:FE347 3.5 32.9 1.0 CD A:GLU120 3.5 29.9 1.0 CG A:HIS123 3.6 17.1 1.0 CE2 A:PHE197 3.9 36.9 1.0 OE1 A:GLU227 3.9 29.1 1.0 CB A:HIS123 4.0 18.6 1.0 OE2 A:GLU120 4.0 37.0 1.0 CG A:GLU227 4.2 25.4 1.0 CG A:GLU89 4.2 32.5 1.0 CZ A:PHE197 4.4 29.0 1.0 NE2 A:HIS123 4.5 15.6 1.0 CA A:GLU120 4.6 16.7 1.0 CD2 A:HIS123 4.6 15.0 1.0 CG2 A:ILE223 4.7 18.2 1.0 CB A:GLU89 4.7 30.6 1.0 CG A:GLU120 4.7 22.5 1.0 CE1 A:HIS230 4.8 23.8 1.0 CD2 A:PHE197 4.8 32.5 1.0 CA A:GLU89 4.8 27.0 1.0 ND1 A:HIS230 4.9 18.7 1.0 CB A:GLU120 4.9 19.2 1.0 OE2 A:GLU193 4.9 35.1 1.0

N.Voevodskaya, M.Galander, M.Hogbom, P.Stenmark, G.Mcclarty, A.Graslund, F.Lendzian. Structure of the High-Valent Feiiifeiv State in Ribonucleotide Reductase (Rnr) of Chlamydia Trachomatis--Combined Epr, 57FE-, 1H-Endor and X-Ray Studies. Biochim.Biophys.Acta V.1774 1254 2007.
ISSN: ISSN 0006-3002
PubMed: 17827077
DOI: 10.1016/J.BBAPAP.2007.07.001