Iron in PDB 8qmn: [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure

The structure of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure, PDB code: 8qmn was solved by J.Omeiri, L.Martin, A.Usclat, M.V.Cherrier, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.91 / 1.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.74, 83.63, 70.51, 90, 90, 90
R / Rfree (%)	13.3 / 17.7

The structure of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure (pdb code 8qmn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure, PDB code: 8qmn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:22.1 occ:1.00 FE1 A:SF4403 0.0 22.1 1.0 S3 A:SF4403 2.2 21.2 1.0 SG A:CYS70 2.3 20.7 1.0 S2 A:SF4403 2.3 22.4 1.0 S4 A:SF4403 2.3 22.6 1.0 FE3 A:SF4403 2.7 22.0 1.0 FE2 A:SF4403 2.7 21.1 1.0 FE4 A:SF4403 2.8 25.1 1.0 CB A:CYS70 3.0 18.1 1.0 S1 A:SF4403 3.8 22.5 1.0 CB A:LEU72 4.2 19.0 1.0 SD A:SAH402 4.2 25.5 0.7 CG A:SAH402 4.4 21.2 0.3 CA A:CYS70 4.5 18.2 1.0 N A:SAH402 4.7 21.6 0.7 N A:ARG73 4.8 17.7 1.0 SG A:CYS67 4.8 20.4 1.0 SG A:CYS63 4.8 19.2 1.0 CG A:LEU72 4.8 21.8 1.0 N A:LEU72 4.8 17.2 1.0 C A:LEU72 4.8 17.8 1.0 CA A:LEU72 4.8 17.6 1.0 CB A:CYS67 4.9 18.9 1.0 OXT A:SAH402 5.0 23.2 0.7 CD2 A:LEU305 5.0 25.1 1.0

Iron binding site 2 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:21.1 occ:1.00 FE2 A:SF4403 0.0 21.1 1.0 SG A:CYS63 2.2 19.2 1.0 S4 A:SF4403 2.3 22.6 1.0 S3 A:SF4403 2.3 21.2 1.0 S1 A:SF4403 2.3 22.5 1.0 FE3 A:SF4403 2.7 22.0 1.0 FE1 A:SF4403 2.7 22.1 1.0 FE4 A:SF4403 2.8 25.1 1.0 CB A:CYS63 3.3 18.0 1.0 S2 A:SF4403 3.9 22.4 1.0 N A:SAH402 4.0 21.6 0.7 CB A:LYS65 4.2 16.9 1.0 N A:SAH402 4.3 21.6 0.3 N A:GLU110 4.6 17.7 1.0 CA A:CYS63 4.7 18.6 1.0 CA A:GLY109 4.7 16.1 1.0 SG A:CYS70 4.8 20.7 1.0 SG A:CYS67 4.8 20.4 1.0 O A:LYS65 4.8 20.9 1.0 N A:LYS65 4.8 18.5 1.0 CA A:LYS65 4.9 18.5 1.0 C A:LYS65 4.9 19.6 1.0 OXT A:SAH402 4.9 24.3 0.3 CB A:LEU72 5.0 19.0 1.0 OXT A:SAH402 5.0 23.2 0.7

Iron binding site 3 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:22.0 occ:1.00 FE3 A:SF4403 0.0 22.0 1.0 S1 A:SF4403 2.3 22.5 1.0 S4 A:SF4403 2.3 22.6 1.0 S2 A:SF4403 2.3 22.4 1.0 SG A:CYS67 2.4 20.4 1.0 FE2 A:SF4403 2.7 21.1 1.0 FE1 A:SF4403 2.7 22.1 1.0 FE4 A:SF4403 2.9 25.1 1.0 CB A:CYS67 3.3 18.9 1.0 O A:HOH639 3.8 28.0 1.0 S3 A:SF4403 3.9 21.2 1.0 N A:CYS67 4.2 19.7 1.0 OXT A:SAH402 4.3 24.3 0.3 OXT A:SAH402 4.3 23.2 0.7 CB A:CYS70 4.3 18.1 1.0 CA A:CYS67 4.4 18.6 1.0 CB A:LYS65 4.4 16.9 1.0 NH2 A:ARG172 4.5 19.3 1.0 SG A:CYS70 4.6 20.7 1.0 OH A:TYR69 4.6 18.0 1.0 SG A:CYS63 4.7 19.2 1.0 CE1 A:TYR69 4.8 15.7 1.0 N A:SAH402 4.8 21.6 0.7 O A:HOH554 4.9 22.5 1.0 CZ A:TYR69 5.0 16.1 1.0

Iron binding site 4 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima - Dialysis Experiment - Empty Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:25.1 occ:1.00 FE4 A:SF4403 0.0 25.1 1.0 N A:SAH402 2.1 21.6 0.7 S3 A:SF4403 2.3 21.2 1.0 S2 A:SF4403 2.3 22.4 1.0 S1 A:SF4403 2.4 22.5 1.0 OXT A:SAH402 2.4 23.2 0.7 OXT A:SAH402 2.4 24.3 0.3 N A:SAH402 2.5 21.6 0.3 FE1 A:SF4403 2.8 22.1 1.0 FE2 A:SF4403 2.8 21.1 1.0 CG A:SAH402 2.9 21.2 0.3 FE3 A:SF4403 2.9 22.0 1.0 SD A:SAH402 3.0 25.5 0.7 CA A:SAH402 3.1 22.2 0.7 CA A:SAH402 3.1 22.1 0.3 C A:SAH402 3.1 23.3 0.3 C A:SAH402 3.2 23.0 0.7 CB A:SAH402 3.5 22.3 0.3 CG A:SAH402 3.6 24.1 0.7 CB A:SAH402 3.9 22.7 0.7 O A:HOH639 4.1 28.0 1.0 O A:HOH554 4.1 22.5 1.0 S4 A:SF4403 4.1 22.6 1.0 O A:SAH402 4.4 22.2 0.3 O A:SAH402 4.4 21.0 0.7 SD A:SAH402 4.5 20.1 0.3 SG A:CYS63 4.7 19.2 1.0 C5' A:SAH402 4.8 29.4 0.7 SG A:CYS70 4.9 20.7 1.0

J.Omeiri, L.Martin, A.Usclat, M.V.Cherrier, Y.Nicolet. Maturation of the [Fefe]-Hydrogenase: Direct Transfer of the ( Kappa 3-Cysteinate)Feii(Cn)(Co)2 Complex-B From Hydg to Hyde. Angew.Chem.Int.Ed.Engl. 14819 2023.
ISSN: ESSN 1521-3773
PubMed: 37962296
DOI: 10.1002/ANIE.202314819