Iron in PDB 5nw3: The Cryofrozen Atomic Resolution X-Ray Crystal Structure of Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A Resolution)

The structure of The Cryofrozen Atomic Resolution X-Ray Crystal Structure of Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A Resolution), PDB code: 5nw3 was solved by M.G.Cuypers, S.A.Mason, E.Mossou, M.Haertlein, V.T.Forsyth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.54 / 0.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.622, 34.533, 43.071, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 14.6

The structure of The Cryofrozen Atomic Resolution X-Ray Crystal Structure of Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A Resolution) also contains other interesting chemical elements:

Potassium	(K)	1 atom
Sodium	(Na)	1 atom

The binding sites of Iron atom in the The Cryofrozen Atomic Resolution X-Ray Crystal Structure of Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A Resolution) (pdb code 5nw3). 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 Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A Resolution), PDB code: 5nw3:

Iron binding site 1 out of 1 in the The Cryofrozen Atomic Resolution X-Ray Crystal Structure of Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A 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 Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A Resolution) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:2.4 occ:1.00 SG A:CYS8 2.3 2.9 1.0 SG A:CYS41 2.3 2.7 1.0 SG A:CYS5 2.3 2.7 1.0 SG A:CYS38 2.3 2.5 1.0 D A:CYS41 3.1 27.7 1.0 DB3 A:CYS8 3.2 4.0 1.0 DB3 A:CYS5 3.2 17.8 1.0 CB A:CYS38 3.2 2.3 1.0 DB3 A:CYS38 3.2 3.6 1.0 CB A:CYS5 3.2 2.8 1.0 DB2 A:CYS38 3.2 3.2 1.0 DB3 A:CYS41 3.2 10.1 1.0 D A:CYS8 3.3 4.0 1.0 DB2 A:CYS5 3.3 4.8 1.0 CB A:CYS8 3.3 3.3 1.0 CB A:CYS41 3.4 3.4 1.0 DB3 A:TYR10 3.6 3.8 1.0 DB A:ILE7 3.6 2.5 1.0 DB A:ILE40 3.6 5.3 1.0 N A:CYS41 3.8 3.3 1.0 DB3 A:ALA43 3.8 2.8 1.0 N A:CYS8 3.9 3.0 1.0 D A:ALA43 4.0 3.7 1.0 D A:TYR10 4.1 57.6 1.0 DB2 A:CYS8 4.1 7.5 1.0 CA A:CYS41 4.1 2.9 1.0 CA A:CYS8 4.1 3.0 1.0 DB2 A:CYS41 4.2 7.3 1.0 DB2 A:ALA43 4.2 3.8 1.0 DB2 A:TYR10 4.3 52.2 1.0 CB A:TYR10 4.4 3.1 1.0 D A:ILE40 4.5 2.5 1.0 CB A:ALA43 4.5 4.3 1.0 CB A:ILE7 4.6 3.9 1.0 D A:GLY42 4.6 5.1 1.0 DZ A:PHE48 4.6 4.2 1.0 CB A:ILE40 4.6 4.2 1.0 CA A:CYS5 4.6 2.2 1.0 D A:ILE7 4.6 4.9 1.0 D A:GLY9 4.6 4.5 1.0 CA A:CYS38 4.6 2.3 1.0 C A:CYS41 4.8 2.7 1.0 C A:CYS8 4.8 2.9 1.0 N A:ALA43 4.8 2.6 1.0 DG22 A:ILE40 4.9 13.1 1.0 C A:ILE40 4.9 3.4 1.0 N A:GLY42 4.9 2.9 1.0 N A:TYR10 4.9 3.0 1.0 C A:ILE7 4.9 3.3 1.0 N A:GLY9 4.9 2.6 1.0 DA A:CYS38 4.9 1.7 1.0 DA A:CYS5 4.9 2.4 1.0 DA A:CYS41 4.9 2.9 1.0 DD2 A:TYR10 5.0 4.6 1.0 DA A:CYS8 5.0 3.3 1.0 DG22 A:ILE7 5.0 12.5 1.0

M.G.Cuypers, S.A.Mason, E.Mossou, M.Haertlein, V.T.Forsyth. The Cryofrozen Atomic Resolution X-Ray Crystal Structure of Perdeuterated Pyrococcus Furiosus Rubredoxin (100K, 0.59A Resolution) To Be Published.