Iron in PDB 4ar5: X-Ray Crystallographic Structure of the Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O at 295K (in Quartz Capillary) to 1.00 Angstrom Resolution.

The structure of X-Ray Crystallographic Structure of the Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O at 295K (in Quartz Capillary) to 1.00 Angstrom Resolution., PDB code: 4ar5 was solved by M.G.Cuypers, S.A.Mason, M.P.Blakeley, E.P.Mitchell, M.Haertlein, V.T.Forsyth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.540 / 1.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.361, 35.316, 43.993, 90.00, 90.00, 90.00
R / Rfree (%)	10.95 / 11.89

The binding sites of Iron atom in the X-Ray Crystallographic Structure of the Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O at 295K (in Quartz Capillary) to 1.00 Angstrom Resolution. (pdb code 4ar5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the X-Ray Crystallographic Structure of the Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O at 295K (in Quartz Capillary) to 1.00 Angstrom Resolution., PDB code: 4ar5:

Iron binding site 1 out of 1 in the X-Ray Crystallographic Structure of the Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O at 295K (in Quartz Capillary) to 1.00 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystallographic Structure of the Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O at 295K (in Quartz Capillary) to 1.00 Angstrom Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1054 b:8.6 occ:1.00 SG A:CYS41 2.3 9.5 1.0 SG A:CYS8 2.3 9.8 1.0 SG A:CYS5 2.3 8.9 1.0 SG A:CYS38 2.3 8.8 1.0 D A:CYS41 3.2 12.3 1.0 DB3 A:CYS8 3.2 13.1 1.0 DB3 A:CYS5 3.2 10.3 1.0 DB3 A:CYS38 3.2 10.1 1.0 CB A:CYS38 3.2 8.4 1.0 CB A:CYS5 3.2 8.6 1.0 DB3 A:CYS41 3.2 12.0 1.0 DB2 A:CYS38 3.3 10.1 1.0 D A:CYS8 3.3 11.9 1.0 DB2 A:CYS5 3.3 10.3 1.0 CB A:CYS8 3.3 10.9 1.0 CB A:CYS41 3.4 10.0 1.0 DB A:ILE7 3.6 17.4 1.0 DB3 A:TYR10 3.6 11.1 1.0 DB A:ILE40 3.7 14.4 1.0 N A:CYS41 3.8 10.3 1.0 DB1 A:ALA43 3.8 13.1 1.0 N A:CYS8 3.9 9.9 1.0 D A:ALA43 4.0 11.0 1.0 DB2 A:CYS8 4.1 13.1 1.0 CA A:CYS41 4.1 10.0 1.0 DB2 A:CYS41 4.1 12.0 1.0 CA A:CYS8 4.1 10.2 1.0 D A:TYR10 4.2 10.5 1.0 DB3 A:ALA43 4.2 13.1 1.0 DB2 A:TYR10 4.4 11.1 1.0 CB A:TYR10 4.4 9.3 1.0 D A:ILE40 4.5 12.2 1.0 CB A:ALA43 4.5 10.9 1.0 CB A:ILE7 4.5 14.5 1.0 D A:GLY42 4.6 11.4 1.0 D A:ILE7 4.6 12.4 1.0 D A:GLY9 4.6 11.0 1.0 CB A:ILE40 4.6 12.0 1.0 DZ A:PHE48 4.6 13.0 1.0 CA A:CYS5 4.6 7.8 1.0 CA A:CYS38 4.6 8.5 1.0 C A:CYS41 4.8 9.6 1.0 C A:CYS8 4.8 9.4 1.0 N A:ALA43 4.8 9.1 1.0 C A:ILE7 4.9 10.9 1.0 N A:GLY42 4.9 9.5 1.0 C A:ILE40 4.9 11.0 1.0 N A:GLY9 4.9 9.2 1.0 DG23 A:ILE40 4.9 18.6 1.0 DG23 A:ILE7 4.9 21.4 1.0 N A:TYR10 4.9 8.7 1.0 DA A:CYS38 4.9 10.2 1.0 DA A:CYS5 5.0 9.3 1.0 DA A:CYS41 5.0 12.0 1.0 DA A:CYS8 5.0 12.2 1.0 DD2 A:TYR10 5.0 11.5 1.0

M.G.Cuypers, S.A.Mason, M.P.Blakeley, E.P.Mitchell, M.Haertlein, V.T.Forsyth. Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes Angew.Chem.Int.Ed.Engl. V. 52 1022 2013.
ISSN: ISSN 1433-7851
PubMed: 23225503
DOI: 10.1002/ANIE.201207071