Iron in PDB 1yk4: Ultra-High Resolution Structure of Pyrococcus Abyssi Rubredoxin W4L/R5S

The structure of Ultra-High Resolution Structure of Pyrococcus Abyssi Rubredoxin W4L/R5S, PDB code: 1yk4 was solved by H.Bonisch, C.L.Schmidt, P.Bianco, R.Ladenstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 0.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.140, 39.500, 45.070, 90.00, 90.00, 90.00
R / Rfree (%)	10 / 10.8

The binding sites of Iron atom in the Ultra-High Resolution Structure of Pyrococcus Abyssi Rubredoxin W4L/R5S (pdb code 1yk4). 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 Ultra-High Resolution Structure of Pyrococcus Abyssi Rubredoxin W4L/R5S, PDB code: 1yk4:

Iron binding site 1 out of 1 in the Ultra-High Resolution Structure of Pyrococcus Abyssi Rubredoxin W4L/R5S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ultra-High Resolution Structure of Pyrococcus Abyssi Rubredoxin W4L/R5S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe54 b:2.8 occ:1.00 SG A:CYS9 2.3 3.4 1.0 SG A:CYS42 2.3 3.1 1.0 SG A:CYS6 2.3 3.4 1.0 SG A:CYS39 2.3 2.8 1.0 CB A:CYS39 3.2 2.8 1.0 HB2 A:CYS39 3.2 3.3 1.0 CB A:CYS6 3.2 3.4 1.0 HB3 A:CYS6 3.3 4.1 1.0 HB3 A:CYS9 3.3 4.2 1.0 HB3 A:CYS39 3.3 3.3 1.0 HB3 A:CYS42 3.3 3.6 1.0 HB2 A:CYS6 3.3 4.1 1.0 H A:CYS42 3.3 3.6 1.0 CB A:CYS9 3.4 3.5 1.0 CB A:CYS42 3.4 3.0 1.0 H A:CYS9 3.5 3.4 0.6 HB3 A:TYR11 3.6 4.2 1.0 N A:CYS9 3.8 2.8 0.6 HB A:ILE8 3.8 4.7 0.6 HG13 A:ILE8 3.9 4.8 0.4 N A:CYS42 3.9 3.0 1.0 HB2 A:LEU41 3.9 4.7 1.0 HB3 A:ALA44 4.0 7.1 1.0 H A:CYS9 4.0 3.2 0.4 H A:ALA44 4.0 4.0 1.0 N A:CYS9 4.0 2.7 0.4 HB1 A:ALA44 4.1 7.1 1.0 CA A:CYS9 4.1 3.2 1.0 CA A:CYS42 4.1 3.0 1.0 HB2 A:CYS9 4.2 4.2 1.0 HB2 A:CYS42 4.2 3.6 1.0 HB2 A:TYR11 4.2 4.2 1.0 H A:TYR11 4.3 3.9 1.0 H A:ILE8 4.3 4.0 0.6 CB A:TYR11 4.4 3.5 1.0 C A:ILE8 4.4 3.0 0.6 CB A:ALA44 4.5 4.7 1.0 H A:ILE8 4.5 5.3 0.4 HZ A:PHE49 4.5 4.4 1.0 H A:LEU41 4.5 3.8 1.0 C A:ILE8 4.6 3.7 0.4 H A:GLY43 4.6 3.5 1.0 C A:CYS9 4.7 3.3 1.0 CA A:CYS6 4.7 3.2 1.0 CA A:CYS39 4.7 2.7 1.0 C A:CYS42 4.7 2.8 1.0 CB A:ILE8 4.7 3.9 0.6 CG1 A:ILE8 4.8 4.0 0.4 HG12 A:ILE8 4.8 4.8 0.4 HD2 A:TYR11 4.8 3.9 1.0 N A:ALA44 4.8 3.4 1.0 O A:CYS9 4.8 5.2 1.0 CB A:LEU41 4.9 3.9 1.0 N A:GLY43 4.9 2.9 1.0 N A:ILE8 4.9 3.3 0.6 CA A:ILE8 4.9 3.2 0.6 C A:LEU41 4.9 3.5 1.0 HA A:CYS6 5.0 3.9 1.0 HA A:CYS39 5.0 3.2 1.0 HA A:CYS9 5.0 3.9 1.0

H.Bonisch, C.L.Schmidt, P.Bianco, R.Ladenstein. Ultrahigh-Resolution Study on Pyrococcus Abyssi Rubredoxin. I. 0.69 A X-Ray Structure of Mutant W4L/R5S. Acta Crystallogr.,Sect.D V. 61 990 2005.
ISSN: ISSN 0907-4449
PubMed: 15983423
DOI: 10.1107/S090744490501293X