Iron in PDB 3ciw: X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima

The structure of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima, PDB code: 3ciw was solved by Y.Nicolet, J.K.Ruback, M.C.Posewitz, P.Amara, C.Mathevon, M.Atta, M.Fontecave, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.36 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.974, 79.228, 85.941, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 17.7

The structure of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima 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 Thermotoga Maritima (pdb code 3ciw). 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 Thermotoga Maritima, PDB code: 3ciw:
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 Thermotoga Maritima


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 Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:12.6 occ:1.00 FE1 A:SF42460 0.0 12.6 1.0 S4 A:SF42460 2.3 12.7 1.0 S2 A:SF42460 2.3 13.3 1.0 S3 A:SF42460 2.3 13.4 1.0 SG A:CYS67 2.4 13.4 1.0 FE4 A:SF42460 2.7 12.7 1.0 FE3 A:SF42460 2.7 12.1 1.0 FE2 A:SF42460 2.8 13.2 1.0 CB A:CYS67 3.2 11.5 1.0 S1 A:SF42460 3.9 12.5 1.0 O A:HOH2527 3.9 16.1 1.0 O A:SAH1501 4.1 13.3 1.0 N A:CYS67 4.3 12.8 1.0 CB A:LYS65 4.4 10.2 1.0 CA A:CYS67 4.4 11.9 1.0 CB A:CYS70 4.5 11.6 1.0 NH2 A:ARG172 4.5 13.1 1.0 OH A:TYR69 4.6 13.3 1.0 SG A:CYS70 4.6 12.9 1.0 SG A:CYS63 4.7 11.8 1.0 O A:HOH2479 4.8 14.0 1.0 CE1 A:TYR69 4.8 12.5 1.0 CD A:LYS65 4.9 11.6 1.0 N A:SAH1501 4.9 12.6 1.0 NE A:ARG172 5.0 12.9 1.0

Iron binding site 2 out of 4 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


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 Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:13.2 occ:1.00 FE2 A:SF42460 0.0 13.2 1.0 O A:SAH1501 2.2 13.3 1.0 N A:SAH1501 2.3 12.6 1.0 S3 A:SF42460 2.3 13.4 1.0 S4 A:SF42460 2.4 12.7 1.0 S1 A:SF42460 2.4 12.5 1.0 FE4 A:SF42460 2.8 12.7 1.0 FE1 A:SF42460 2.8 12.6 1.0 FE3 A:SF42460 2.9 12.1 1.0 C A:SAH1501 3.1 12.8 1.0 CA A:SAH1501 3.2 13.5 1.0 SD A:SAH1501 3.4 17.9 1.0 CG A:SAH1501 3.7 16.5 1.0 CB A:SAH1501 4.0 14.9 1.0 S2 A:SF42460 4.1 13.3 1.0 O A:HOH2479 4.1 14.0 1.0 O A:HOH2527 4.1 16.1 1.0 OXT A:SAH1501 4.3 13.1 1.0 SG A:CYS63 4.8 11.8 1.0 SG A:CYS70 4.9 12.9 1.0

Iron binding site 3 out of 4 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


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 Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:12.1 occ:1.00 FE3 A:SF42460 0.0 12.1 1.0 S2 A:SF42460 2.3 13.3 1.0 S1 A:SF42460 2.3 12.5 1.0 SG A:CYS63 2.3 11.8 1.0 S4 A:SF42460 2.3 12.7 1.0 FE4 A:SF42460 2.7 12.7 1.0 FE1 A:SF42460 2.7 12.6 1.0 FE2 A:SF42460 2.9 13.2 1.0 CB A:CYS63 3.4 12.1 1.0 S3 A:SF42460 3.9 13.4 1.0 N A:SAH1501 4.1 12.6 1.0 CB A:LYS65 4.3 10.2 1.0 N A:GLU110 4.4 10.0 1.0 CA A:GLY109 4.6 9.4 1.0 O A:LYS65 4.6 13.9 1.0 SG A:CYS70 4.7 12.9 1.0 CA A:CYS63 4.8 11.1 1.0 N A:LYS65 4.8 11.4 1.0 C A:LYS65 4.8 10.5 1.0 SG A:CYS67 4.8 13.4 1.0 CA A:LYS65 4.9 11.3 1.0 CB A:LEU72 4.9 13.3 1.0 O A:SAH1501 4.9 13.3 1.0 O A:LEU72 5.0 11.9 1.0

Iron binding site 4 out of 4 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


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 Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2460 b:12.7 occ:1.00 FE4 A:SF42460 0.0 12.7 1.0 S1 A:SF42460 2.2 12.5 1.0 SG A:CYS70 2.3 12.9 1.0 S2 A:SF42460 2.3 13.3 1.0 S3 A:SF42460 2.3 13.4 1.0 FE3 A:SF42460 2.7 12.1 1.0 FE1 A:SF42460 2.7 12.6 1.0 FE2 A:SF42460 2.8 13.2 1.0 CB A:CYS70 3.1 11.6 1.0 S4 A:SF42460 3.9 12.7 1.0 CB A:LEU72 4.3 13.3 1.0 CD2 A:LEU305 4.4 17.4 1.0 CA A:CYS70 4.5 11.6 1.0 SD A:SAH1501 4.5 17.9 1.0 CB A:CYS67 4.7 11.5 1.0 N A:SAH1501 4.8 12.6 1.0 SG A:CYS67 4.8 13.4 1.0 N A:ARG73 4.8 11.8 1.0 O A:SAH1501 4.8 13.3 1.0 SG A:CYS63 4.8 11.8 1.0 N A:LEU72 4.8 11.9 1.0 C A:LEU72 4.9 12.2 1.0 CA A:LEU72 4.9 12.1 1.0 CG A:LEU72 4.9 16.5 1.0

Y.Nicolet, J.K.Rubach, M.C.Posewitz, P.Amara, C.Mathevon, M.Atta, M.Fontecave, J.C.Fontecilla-Camps. X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima J.Biol.Chem. V. 283 18861 2008.
ISSN: ISSN 0021-9258
PubMed: 18400755
DOI: 10.1074/JBC.M801161200