Iron in PDB 5ome: The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution)

The structure of The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution), PDB code: 5ome was solved by M.G.Cuypers, S.A.Mason, E.Mossou, M.Haertlein, E.P.Mitchell, V.T.Forsyth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.36 / 0.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.993, 34.803, 43.233, 90.00, 90.00, 90.00
R / Rfree (%)	11.1 / 12.1

The structure of The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution) (pdb code 5ome). 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 The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution), PDB code: 5ome:

Iron binding site 1 out of 1 in the The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:3.1 occ:1.00 SG A:CYS8 2.3 3.8 1.0 SG A:CYS41 2.3 3.5 1.0 SG A:CYS5 2.3 3.2 1.0 SG A:CYS38 2.4 3.2 1.0 D A:CYS41 3.1 0.5 1.0 CB A:CYS38 3.2 3.3 1.0 D A:CYS8 3.2 15.2 1.0 DB3 A:CYS38 3.2 3.8 1.0 DB3 A:CYS5 3.2 12.1 1.0 DB3 A:CYS8 3.2 8.1 1.0 CB A:CYS5 3.2 3.3 1.0 DB2 A:CYS38 3.2 42.8 1.0 DB2 A:CYS5 3.3 4.0 1.0 DB3 A:CYS41 3.3 3.3 1.0 CB A:CYS8 3.4 4.2 1.0 CB A:CYS41 3.4 3.8 1.0 DB A:ILE7 3.6 0.1 0.3 DB3 A:TYR10 3.6 5.2 1.0 DB A:ILE40 3.6 4.0 1.0 N A:CYS41 3.8 4.3 1.0 DB3 A:ALA43 3.8 2.8 0.7 N A:CYS8 3.8 4.0 1.0 D A:ALA43 3.9 3.3 0.9 DB2 A:ALA43 4.1 3.7 0.8 D A:TYR10 4.1 35.2 1.0 CA A:CYS41 4.2 3.7 1.0 CA A:CYS8 4.2 4.1 1.0 DB2 A:CYS8 4.2 0.5 0.3 DB2 A:TYR10 4.2 4.9 1.0 DB2 A:CYS41 4.2 5.4 1.0 CB A:TYR10 4.3 3.3 1.0 CB A:ALA43 4.4 4.3 1.0 D A:ILE40 4.4 8.8 1.0 DZ A:PHE48 4.5 10.9 1.0 CB A:ILE7 4.5 5.0 1.0 D A:ILE7 4.5 6.8 0.6 D A:GLY42 4.6 4.9 1.0 D A:GLY9 4.6 59.2 1.0 CB A:ILE40 4.6 4.8 1.0 D A:ILE7 4.6 4.0 0.4 CA A:CYS5 4.7 3.1 1.0 CA A:CYS38 4.7 3.1 1.0 N A:ALA43 4.8 3.4 1.0 C A:CYS41 4.8 3.5 1.0 C A:CYS8 4.8 3.9 1.0 N A:TYR10 4.8 3.4 1.0 DG22 A:ILE7 4.9 1.6 0.7 C A:ILE40 4.9 4.2 1.0 C A:ILE7 4.9 4.5 1.0 N A:GLY42 4.9 3.5 1.0 N A:GLY9 4.9 3.8 1.0 DG22 A:ILE40 4.9 6.8 0.3 DA A:CYS5 5.0 26.3 1.0 DA A:CYS38 5.0 3.1 1.0 CZ A:PHE48 5.0 3.8 1.0 DA A:CYS8 5.0 2.6 0.7 DD2 A:TYR10 5.0 0.4 0.9 DA A:CYS41 5.0 4.9 1.0

M.G.Cuypers, S.A.Mason, E.Mossou, M.Haertlein, E.P.Mitchell, V.T.Forsyth. The Cryofrozen Atomic Resolution X-Ray Crystal Structure of the Reduced Form (FE2+) Perdeuterated Pyrococcus Furiosus Rubredoxin in D2O (100K, 0.75 Angstrom Resolution) To Be Published.