Iron in PDB 4rtb: X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans

The structure of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans, PDB code: 4rtb was solved by Y.Nicolet, A.Pagnier, L.Zeppieri, L.Martin, P.Amara, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.78 / 2.79
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.230, 92.230, 167.600, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.5

The structure of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Iron atom in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans (pdb code 4rtb). 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 Hydg From Carboxydothermus Hydrogenoformans, PDB code: 4rtb:
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 Hydg From Carboxydothermus Hydrogenoformans


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 Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:0.4 occ:1.00 FE1 A:SF4502 0.0 0.4 1.0 S3 A:SF4502 2.3 0.8 1.0 S4 A:SF4502 2.3 0.4 1.0 S2 A:SF4502 2.3 0.9 1.0 FE2 A:SF4502 2.7 0.2 1.0 FE3 A:SF4502 2.7 97.8 1.0 FE4 A:SF4502 2.7 0.3 1.0 SG A:CYS88 2.8 0.7 1.0 CB A:CYS88 3.1 73.9 1.0 N A:SAM501 3.8 88.9 1.0 S1 A:SF4502 3.9 0.1 1.0 CA A:GLY134 3.9 87.0 1.0 N A:GLU135 4.0 80.0 1.0 CB A:PHE97 4.3 80.2 1.0 C A:GLY134 4.5 83.5 1.0 CA A:CYS88 4.6 85.4 1.0 ND2 A:ASN90 4.8 73.3 1.0 O A:SAM501 4.8 96.5 1.0 O A:PHE97 4.9 75.6 1.0 CB A:ASN90 4.9 64.2 1.0

Iron binding site 2 out of 4 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


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 Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:0.2 occ:1.00 FE2 A:SF4502 0.0 0.2 1.0 S4 A:SF4502 2.3 0.4 1.0 S3 A:SF4502 2.3 0.8 1.0 S1 A:SF4502 2.3 0.1 1.0 FE1 A:SF4502 2.7 0.4 1.0 FE4 A:SF4502 2.7 0.3 1.0 FE3 A:SF4502 2.7 97.8 1.0 SG A:CYS95 2.8 79.8 1.0 CB A:CYS95 3.3 65.2 1.0 CB A:PHE97 3.7 80.2 1.0 S2 A:SF4502 3.9 0.9 1.0 CA A:PHE97 4.4 79.8 1.0 N A:ARG98 4.4 80.2 1.0 C A:PHE97 4.4 78.2 1.0 N A:PHE97 4.5 78.8 1.0 CG A:PHE97 4.6 80.0 1.0 NE2 A:GLN346 4.7 91.6 1.0 SG A:CYS92 4.8 63.2 1.0 CA A:CYS95 4.8 76.5 1.0 CD2 A:PHE97 4.8 81.1 1.0 CE A:SAM501 4.9 0.8 1.0 O A:PHE97 5.0 75.6 1.0

Iron binding site 3 out of 4 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


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 Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:97.8 occ:1.00 FE3 A:SF4502 0.0 97.8 1.0 S4 A:SF4502 2.3 0.4 1.0 S1 A:SF4502 2.3 0.1 1.0 S2 A:SF4502 2.3 0.9 1.0 FE1 A:SF4502 2.7 0.4 1.0 FE2 A:SF4502 2.7 0.2 1.0 FE4 A:SF4502 2.8 0.3 1.0 SG A:CYS92 3.1 63.2 1.0 CB A:ASN90 3.8 64.2 1.0 S3 A:SF4502 3.9 0.8 1.0 CE A:LYS205 4.0 93.5 1.0 CD A:LYS205 4.2 90.4 1.0 SG A:CYS88 4.2 0.7 1.0 O A:SAM501 4.3 96.5 1.0 ND2 A:ASN90 4.5 73.3 1.0 CG A:ASN90 4.5 70.8 1.0 CB A:CYS92 4.7 73.0 1.0 C A:ASN90 4.7 72.6 1.0 NZ A:LYS205 4.7 93.9 1.0 N A:CYS92 4.8 95.4 1.0 CA A:ASN90 4.8 72.1 1.0 N A:ASN91 4.8 84.0 1.0 N A:SAM501 4.9 88.9 1.0 O A:ASN90 5.0 71.3 1.0

Iron binding site 4 out of 4 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


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 Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:0.3 occ:1.00 FE4 A:SF4502 0.0 0.3 1.0 S3 A:SF4502 2.3 0.8 1.0 S1 A:SF4502 2.3 0.1 1.0 S2 A:SF4502 2.3 0.9 1.0 O A:SAM501 2.6 96.5 1.0 FE2 A:SF4502 2.7 0.2 1.0 FE1 A:SF4502 2.7 0.4 1.0 N A:SAM501 2.8 88.9 1.0 FE3 A:SF4502 2.8 97.8 1.0 C A:SAM501 3.4 95.5 1.0 SD A:SAM501 3.4 0.7 1.0 CA A:SAM501 3.6 88.8 1.0 S4 A:SF4502 3.9 0.4 1.0 CE A:SAM501 4.1 0.8 1.0 CG A:SAM501 4.2 82.7 1.0 CB A:SAM501 4.4 84.4 1.0 OXT A:SAM501 4.5 99.4 1.0 CE A:LYS205 4.5 93.5 1.0 C3' A:SAM501 4.7 85.7 1.0 NZ A:LYS205 4.8 93.9 1.0

Y.Nicolet, A.Pagnier, L.Zeppieri, L.Martin, P.Amara, J.C.Fontecilla-Camps. Crystal Structure of Hydg From Carboxydothermus Hydrogenoformans: A Trifunctional [Fefe]-Hydrogenase Maturase. Chembiochem 2014.
ISSN: ESSN 1439-7633
PubMed: 25504963
DOI: 10.1002/CBIC.201402661