Iron in PDB 4eia: Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide

The structure of Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide, PDB code: 4eia was solved by S.H.Knauer, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.67 / 3.00
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	113.136, 113.136, 56.032, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 23.6

The binding sites of Iron atom in the Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide (pdb code 4eia). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide, PDB code: 4eia:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:60.8 occ:1.00 FE2 A:SF4301 0.0 60.8 1.0 S1 A:SF4301 2.3 66.8 1.0 S3 A:SF4301 2.3 59.4 1.0 FE4 A:SF4301 2.6 64.3 1.0 N A:ALA126 4.3 72.0 1.0 SG A:CYS125 4.7 68.8 1.0 SG A:CYS164 4.8 67.8 1.0 CB A:ALA126 4.8 64.3 1.0 CA A:CYS125 4.9 74.5 1.0

Iron binding site 2 out of 2 in the Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Activator of the 2-Hydroxyisocaproyl-Coa Dehydratase From Clostridium Difficile Without Nucleotide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:64.3 occ:1.00 FE4 A:SF4301 0.0 64.3 1.0 S1 A:SF4301 2.3 66.8 1.0 S3 A:SF4301 2.3 59.4 1.0 SG A:CYS125 2.4 68.8 1.0 FE2 A:SF4301 2.6 60.8 1.0 CB A:CYS125 3.7 75.6 1.0 N A:ALA126 3.9 72.0 1.0 CA A:CYS125 4.0 74.5 1.0 N A:ALA127 4.2 62.4 1.0 C A:CYS125 4.4 76.6 1.0 CB A:ALA127 4.4 61.2 1.0 CA A:CYS164 4.7 75.6 1.0 N A:THR165 4.8 73.3 1.0 CB A:CYS164 4.8 74.2 1.0 SG A:CYS164 4.9 67.8 1.0 OG1 A:THR165 4.9 83.8 1.0 CA A:ALA126 4.9 69.9 1.0 CA A:ALA127 5.0 68.8 1.0

S.H.Knauer, W.Buckel, H.Dobbek. On the Atp-Dependent Activation of the Radical Enzyme (R)-2-Hydroxyisocaproyl-Coa Dehydratase. Biochemistry V. 51 6609 2012.
ISSN: ISSN 0006-2960
PubMed: 22827463
DOI: 10.1021/BI300571Z