Iron in PDB 1c09: Rubredoxin V44A Cp

The structure of Rubredoxin V44A Cp, PDB code: 1c09 was solved by T.Min, B.Beard, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.348, 57.420, 38.503, 90.00, 112.74, 90.00
R / Rfree (%)	17.6 / n/a

The binding sites of Iron atom in the Rubredoxin V44A Cp (pdb code 1c09). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Rubredoxin V44A Cp, PDB code: 1c09:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Rubredoxin V44A Cp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rubredoxin V44A Cp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe55 b:9.6 occ:1.00 SG A:CYS42 2.3 10.7 1.0 SG A:CYS39 2.3 8.9 1.0 SG A:CYS9 2.3 10.5 1.0 SG A:CYS6 2.3 7.7 1.0 CB A:CYS39 3.1 7.5 1.0 CB A:CYS6 3.1 6.5 1.0 CB A:CYS9 3.3 8.2 1.0 CB A:CYS42 3.4 9.7 1.0 N A:CYS42 3.7 11.0 1.0 N A:CYS9 3.8 7.7 1.0 CA A:CYS9 4.1 8.1 1.0 CA A:CYS42 4.1 9.9 1.0 CB A:TYR11 4.3 7.0 1.0 CB A:ALA44 4.5 8.2 1.0 CA A:CYS6 4.6 6.2 1.0 CA A:CYS39 4.6 7.8 1.0 C A:LEU41 4.7 12.3 1.0 C A:VAL8 4.7 8.9 1.0 CB A:VAL8 4.7 9.4 1.0 C A:CYS42 4.7 10.1 1.0 C A:CYS9 4.7 8.9 1.0 N A:GLY10 4.8 7.9 1.0 N A:TYR11 4.8 7.3 1.0 CB A:LEU41 4.8 13.5 1.0 N A:ALA44 4.9 8.4 1.0 N A:GLY43 4.9 8.9 1.0 C A:CYS6 5.0 6.6 1.0 C A:CYS39 5.0 8.4 1.0

Iron binding site 2 out of 3 in the Rubredoxin V44A Cp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rubredoxin V44A Cp within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe55 b:8.4 occ:1.00 SG B:CYS42 2.3 7.3 1.0 SG B:CYS9 2.3 7.9 1.0 SG B:CYS6 2.3 7.4 1.0 SG B:CYS39 2.3 6.6 1.0 CB B:CYS39 3.2 3.4 1.0 CB B:CYS6 3.2 7.5 1.0 CB B:CYS9 3.4 8.0 1.0 CB B:CYS42 3.4 5.0 1.0 N B:CYS9 3.8 9.2 1.0 N B:CYS42 3.9 5.7 1.0 CA B:CYS9 4.1 9.6 1.0 CA B:CYS42 4.2 5.1 1.0 CB B:TYR11 4.3 7.2 1.0 CB B:ALA44 4.4 5.9 1.0 CB B:VAL8 4.4 9.9 1.0 CA B:CYS39 4.6 4.6 1.0 CA B:CYS6 4.6 7.9 1.0 C B:VAL8 4.7 10.4 1.0 CB B:LEU41 4.7 4.8 1.0 C B:CYS9 4.8 9.2 1.0 N B:TYR11 4.8 7.7 1.0 C B:CYS42 4.8 4.4 1.0 C B:LEU41 4.8 5.8 1.0 N B:GLY10 4.9 9.0 1.0 N B:ALA44 4.9 5.0 1.0 CA B:VAL8 5.0 10.5 1.0

Iron binding site 3 out of 3 in the Rubredoxin V44A Cp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Rubredoxin V44A Cp within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe55 b:8.7 occ:1.00 SG C:CYS42 2.3 10.0 1.0 SG C:CYS9 2.3 7.3 1.0 SG C:CYS39 2.3 5.2 1.0 SG C:CYS6 2.3 6.9 1.0 CB C:CYS39 3.1 5.9 1.0 CB C:CYS6 3.2 5.6 1.0 CB C:CYS42 3.4 8.7 1.0 CB C:CYS9 3.4 7.8 1.0 N C:CYS42 3.7 8.6 1.0 N C:CYS9 3.8 6.7 1.0 CA C:CYS42 4.1 9.0 1.0 CA C:CYS9 4.1 6.5 1.0 CB C:TYR11 4.3 7.1 1.0 CB C:ALA44 4.5 8.6 1.0 CA C:CYS39 4.6 5.7 1.0 CA C:CYS6 4.6 5.4 1.0 CB C:VAL8 4.7 8.8 1.0 C C:LEU41 4.7 10.9 1.0 C C:CYS9 4.7 6.8 1.0 C C:CYS42 4.7 9.8 1.0 C C:VAL8 4.8 8.3 1.0 CB C:LEU41 4.8 12.3 1.0 N C:TYR11 4.8 6.4 1.0 N C:GLY10 4.8 5.0 1.0 N C:ALA44 4.9 8.2 1.0 N C:GLY43 4.9 9.7 1.0 CG1 C:VAL8 4.9 9.8 1.0

M.K.Eidsness, A.E.Burden, K.A.Richie, D.M.Kurtz Jr., R.A.Scott, E.T.Smith, T.Ichiye, B.Beard, T.Min, C.Kang. Modulation of the Redox Potential of the [Fe(Scys)(4)] Site in Rubredoxin By the Orientation of A Peptide Dipole. Biochemistry V. 38 14803 1999.
ISSN: ISSN 0006-2960
PubMed: 10555962
DOI: 10.1021/BI991661F