Iron in PDB 1be7: Clostridium Pasteurianum Rubredoxin C42S Mutant

The structure of Clostridium Pasteurianum Rubredoxin C42S Mutant, PDB code: 1be7 was solved by M.Maher, J.M.Guss, M.Wilce, A.G.Wedd, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.65
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	64.520, 64.520, 32.570, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 20.1

The binding sites of Iron atom in the Clostridium Pasteurianum Rubredoxin C42S Mutant (pdb code 1be7). 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 Clostridium Pasteurianum Rubredoxin C42S Mutant, PDB code: 1be7:

Iron binding site 1 out of 1 in the Clostridium Pasteurianum Rubredoxin C42S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Clostridium Pasteurianum Rubredoxin C42S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe55 b:19.3 occ:1.00 OG A:SER42 1.9 21.6 1.0 SG A:CYS9 2.3 18.6 1.0 SG A:CYS6 2.3 17.6 1.0 SG A:CYS39 2.3 17.0 1.0 CB A:SER42 3.1 24.0 1.0 CB A:CYS6 3.1 15.3 1.0 CB A:CYS39 3.2 18.6 1.0 CB A:CYS9 3.4 18.8 1.0 N A:SER42 3.6 21.4 1.0 CA A:SER42 3.9 22.7 1.0 N A:CYS9 3.9 17.2 1.0 CA A:CYS9 4.2 17.1 1.0 CG2 A:VAL44 4.3 21.2 1.0 CB A:TYR11 4.4 16.3 1.0 CG1 A:VAL8 4.6 23.7 1.0 CA A:CYS6 4.6 13.6 1.0 CA A:CYS39 4.6 16.8 1.0 CB A:VAL8 4.6 23.9 1.0 C A:LEU41 4.7 25.5 1.0 C A:SER42 4.7 23.0 1.0 C A:CYS9 4.7 18.0 1.0 CB A:LEU41 4.8 29.0 1.0 N A:GLY43 4.8 22.1 1.0 C A:VAL8 4.9 20.9 1.0 N A:TYR11 4.9 17.1 1.0 N A:GLY10 4.9 15.6 1.0

Z.Xiao, M.J.Lavery, M.Ayhan, S.D.B.Scrofani, M.C.J.Wilce, J.M.Guss, P.A.Tregloan, G.N.George, A.G.Wedd. The Rubredoxin From Clostridium Pasteurianum: Mutation of the Iron Cysteinyl Ligands to Serine. Crystal and Molecular Structures of the Oxidised and Dithionite-Treated Forms of the CYS42SER Mutant J.Am.Chem.Soc. V. 120 4135 1998.
ISSN: ISSN 0002-7863