Iron in PDB 3iix: X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine

The structure of X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine, PDB code: 3iix was solved by Y.Nicolet, P.Amara, J.M.Mouesca, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.22 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.054, 78.925, 86.192, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 16.6

The structure of X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine (pdb code 3iix). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine, PDB code: 3iix:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:10.1 occ:1.00 FE1 A:SF42460 0.0 10.1 1.0 S4 A:SF42460 2.3 10.0 1.0 S3 A:SF42460 2.3 10.1 1.0 SG A:CYS67 2.3 11.5 1.0 S2 A:SF42460 2.3 10.4 1.0 FE3 A:SF42460 2.7 10.1 1.0 FE4 A:SF42460 2.7 10.3 1.0 FE2 A:SF42460 3.0 10.3 1.0 CB A:CYS67 3.2 11.3 1.0 S1 A:SF42460 3.9 10.1 1.0 O A:HOH491 3.9 13.5 1.0 O A:MET1401 4.2 10.2 1.0 N A:CYS67 4.2 10.8 1.0 CA A:CYS67 4.4 10.5 1.0 CB A:LYS65 4.4 9.2 1.0 NH2 A:ARG172 4.4 11.4 1.0 CB A:CYS70 4.5 9.1 1.0 OH A:TYR69 4.6 11.4 1.0 SG A:CYS70 4.7 10.6 1.0 SG A:CYS63 4.7 10.1 1.0 CE1 A:TYR69 4.8 11.0 1.0 O A:HOH481 4.9 11.9 1.0 N A:MET1401 4.9 9.8 1.0 CD A:LYS65 4.9 11.2 1.0 NE A:ARG172 5.0 10.4 1.0

Iron binding site 2 out of 4 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:10.3 occ:1.00 FE2 A:SF42460 0.0 10.3 1.0 N A:MET1401 2.2 9.8 1.0 O A:MET1401 2.3 10.2 1.0 S3 A:SF42460 2.3 10.1 1.0 S1 A:SF42460 2.4 10.1 1.0 S4 A:SF42460 2.4 10.0 1.0 SD A:MET1401 2.7 11.4 1.0 FE4 A:SF42460 2.9 10.3 1.0 FE3 A:SF42460 3.0 10.1 1.0 FE1 A:SF42460 3.0 10.1 1.0 C A:MET1401 3.1 9.6 1.0 CA A:MET1401 3.2 10.1 1.0 CE A:MET1401 3.7 14.7 1.0 CG A:MET1401 3.7 13.0 1.0 CB A:MET1401 3.8 10.3 1.0 O A:HOH491 4.2 13.5 1.0 S2 A:SF42460 4.2 10.4 1.0 OXT A:MET1401 4.3 10.2 1.0 O A:HOH481 4.3 11.9 1.0 SG A:CYS63 4.8 10.1 1.0 SG A:CYS70 4.9 10.6 1.0

Iron binding site 3 out of 4 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:10.1 occ:1.00 FE3 A:SF42460 0.0 10.1 1.0 S2 A:SF42460 2.3 10.4 1.0 SG A:CYS63 2.3 10.1 1.0 S1 A:SF42460 2.3 10.1 1.0 S4 A:SF42460 2.3 10.0 1.0 FE4 A:SF42460 2.7 10.3 1.0 FE1 A:SF42460 2.7 10.1 1.0 FE2 A:SF42460 3.0 10.3 1.0 CB A:CYS63 3.4 10.0 1.0 S3 A:SF42460 3.9 10.1 1.0 N A:MET1401 4.1 9.8 1.0 CB A:LYS65 4.2 9.2 1.0 N A:GLU110 4.4 9.3 1.0 O A:LYS65 4.5 12.1 1.0 CA A:GLY109 4.6 8.8 1.0 C A:LYS65 4.7 10.1 1.0 N A:LYS65 4.8 9.6 1.0 SG A:CYS67 4.8 11.5 1.0 CA A:CYS63 4.8 10.0 1.0 CA A:LYS65 4.8 9.6 1.0 SG A:CYS70 4.8 10.6 1.0 O A:MET1401 4.9 10.2 1.0 CG A:GLU110 5.0 9.1 1.0

Iron binding site 4 out of 4 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hyde From T. Maritima in Complex with Methionine and 5'Deoxyadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:10.3 occ:1.00 FE4 A:SF42460 0.0 10.3 1.0 S1 A:SF42460 2.2 10.1 1.0 SG A:CYS70 2.3 10.6 1.0 S3 A:SF42460 2.3 10.1 1.0 S2 A:SF42460 2.3 10.4 1.0 FE3 A:SF42460 2.7 10.1 1.0 FE1 A:SF42460 2.7 10.1 1.0 FE2 A:SF42460 2.9 10.3 1.0 CB A:CYS70 3.0 9.1 1.0 S4 A:SF42460 3.9 10.0 1.0 SD A:MET1401 4.1 11.4 1.0 CB A:LEU72 4.4 10.5 1.0 CA A:CYS70 4.5 10.1 1.0 CE A:MET1401 4.6 14.7 1.0 CB A:CYS67 4.7 11.3 1.0 SG A:CYS67 4.8 11.5 1.0 N A:ARG73 4.8 10.3 1.0 SG A:CYS63 4.8 10.1 1.0 N A:LEU72 4.8 10.0 1.0 C A:LEU72 4.8 9.7 1.0 N A:MET1401 4.8 9.8 1.0 CG A:LEU72 4.9 11.7 1.0 O A:MET1401 4.9 10.2 1.0 CA A:LEU72 4.9 10.4 1.0

Y.Nicolet, P.Amara, J.-M.Mouesca, J.C.Fontecilla-Camps. Unexpected Electron Transfer Mechanism Upon Adomet Cleavage in Radical Sam Proteins Proc.Natl.Acad.Sci.Usa 2009.
ISSN: ESSN 1091-6490
PubMed: 19706452
DOI: 10.1073/PNAS.0904385106