Iron in PDB 4ar6: X-Ray Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin at 295 K (in Quartz Capillary) to 0.92 Angstroms Resolution.

The structure of X-Ray Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin at 295 K (in Quartz Capillary) to 0.92 Angstroms Resolution., PDB code: 4ar6 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)	27.465 / 0.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.375, 35.183, 43.944, 90.00, 90.00, 90.00
R / Rfree (%)	12.85 / 13.61

The binding sites of Iron atom in the X-Ray Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin at 295 K (in Quartz Capillary) to 0.92 Angstroms Resolution. (pdb code 4ar6). 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 Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin at 295 K (in Quartz Capillary) to 0.92 Angstroms Resolution., PDB code: 4ar6:

Iron binding site 1 out of 1 in the X-Ray Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin at 295 K (in Quartz Capillary) to 0.92 Angstroms 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 Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin at 295 K (in Quartz Capillary) to 0.92 Angstroms Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1054 b:8.7 occ:1.00 SG A:CYS8 2.3 9.9 1.0 SG A:CYS41 2.3 9.7 1.0 SG A:CYS5 2.3 8.9 1.0 SG A:CYS38 2.3 8.8 1.0 D A:CYS41 3.1 12.4 1.0 DB3 A:CYS5 3.2 10.1 1.0 CB A:CYS38 3.2 8.5 1.0 D A:CYS8 3.2 12.5 1.0 DB3 A:CYS38 3.2 10.2 1.0 CB A:CYS5 3.2 8.4 1.0 DB3 A:CYS8 3.2 12.9 1.0 DB2 A:CYS38 3.3 10.2 1.0 DB3 A:CYS41 3.3 12.5 1.0 DB2 A:CYS5 3.3 10.1 1.0 CB A:CYS8 3.4 10.8 1.0 CB A:CYS41 3.4 10.4 1.0 DB A:ILE7 3.6 16.4 1.0 DB3 A:TYR10 3.6 10.8 1.0 DB A:ILE40 3.6 14.4 1.0 DB1 A:ALA43 3.8 13.3 1.0 N A:CYS41 3.8 10.3 1.0 N A:CYS8 3.8 10.4 1.0 D A:ALA43 4.0 11.1 1.0 D A:TYR10 4.1 10.6 1.0 DB3 A:ALA43 4.1 13.3 1.0 CA A:CYS41 4.2 10.2 1.0 CA A:CYS8 4.2 10.4 1.0 DB2 A:CYS8 4.2 12.9 1.0 DB2 A:CYS41 4.2 12.5 1.0 DB2 A:TYR10 4.3 10.8 1.0 CB A:TYR10 4.4 9.0 1.0 CB A:ALA43 4.4 11.1 1.0 D A:ILE40 4.5 12.3 1.0 D A:ILE7 4.5 12.7 0.5 CB A:ILE7 4.5 13.6 1.0 D A:GLY42 4.5 11.6 1.0 D A:GLY9 4.5 11.4 1.0 DZ A:PHE48 4.6 12.9 1.0 D A:ILE7 4.6 12.7 0.5 CB A:ILE40 4.6 12.0 1.0 CA A:CYS5 4.7 8.2 1.0 CA A:CYS38 4.7 8.5 1.0 N A:ALA43 4.8 9.2 1.0 C A:CYS41 4.8 9.8 1.0 C A:CYS8 4.9 9.9 1.0 C A:ILE7 4.9 11.3 1.0 N A:GLY42 4.9 9.7 1.0 C A:ILE40 4.9 11.3 1.0 N A:TYR10 4.9 8.8 1.0 N A:GLY9 4.9 9.5 1.0 HG23 A:ILE40 4.9 16.7 1.0 HG23 A:ILE7 4.9 19.3 1.0 DA A:CYS38 5.0 10.2 1.0 DA A:CYS5 5.0 9.8 1.0 DA A:CYS8 5.0 12.5 1.0 DA A:CYS41 5.0 12.2 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