Iron in PDB 8qmm: M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima

The structure of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima, PDB code: 8qmm 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)	50.39 / 1.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.81, 82.14, 70.24, 90, 90, 90
R / Rfree (%)	12.6 / 15.2

The structure of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Iron atom in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima (pdb code 8qmm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima, PDB code: 8qmm:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the M291I Variant 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 M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:13.6 occ:1.00 FE1 A:SF4403 0.0 13.6 1.0 S3 A:SF4403 2.2 13.9 1.0 SG A:CYS70 2.3 13.6 1.0 S2 A:SF4403 2.3 14.3 1.0 S4 A:SF4403 2.3 14.2 1.0 FE2 A:SF4403 2.7 13.8 1.0 FE3 A:SF4403 2.7 13.7 1.0 FE4 A:SF4403 2.8 14.8 1.0 CB A:CYS70 3.0 13.6 1.0 S1 A:SF4403 3.9 14.3 1.0 CB A:LEU72 4.2 13.4 1.0 SD A:SAH402 4.3 18.6 0.7 CA A:CYS70 4.5 13.4 1.0 CG A:SAH402 4.6 11.9 0.3 SG A:CYS67 4.7 14.3 1.0 N A:SAH402 4.7 14.8 0.7 OXT A:SAH402 4.8 15.9 0.7 CB A:CYS67 4.8 13.6 1.0 CD2 A:LEU305 4.8 18.1 1.0 N A:ARG73 4.8 13.2 1.0 N A:LEU72 4.8 13.0 1.0 SG A:CYS63 4.8 13.7 1.0 C A:LEU72 4.8 13.3 1.0 N A:SAH402 4.9 12.9 0.3 CA A:LEU72 4.9 13.1 1.0 CG A:LEU72 4.9 16.1 1.0

Iron binding site 2 out of 4 in the M291I Variant 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 M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:13.8 occ:1.00 FE2 A:SF4403 0.0 13.8 1.0 SG A:CYS63 2.3 13.7 1.0 S4 A:SF4403 2.3 14.2 1.0 S3 A:SF4403 2.3 13.9 1.0 S1 A:SF4403 2.3 14.3 1.0 FE1 A:SF4403 2.7 13.6 1.0 FE3 A:SF4403 2.7 13.7 1.0 FE4 A:SF4403 2.8 14.8 1.0 CB A:CYS63 3.3 13.6 1.0 S2 A:SF4403 3.9 14.3 1.0 N A:SAH402 4.0 14.8 0.7 N A:SAH402 4.1 12.9 0.3 CB A:LYS65 4.2 14.4 1.0 N A:GLU110 4.5 13.3 1.0 CA A:GLY109 4.6 12.6 1.0 CA A:CYS63 4.7 13.3 1.0 SG A:CYS67 4.8 14.3 1.0 SG A:CYS70 4.8 13.6 1.0 O A:LYS65 4.8 14.6 1.0 N A:LYS65 4.8 13.6 1.0 OXT A:SAH402 4.8 15.9 0.7 C A:LYS65 4.8 13.3 1.0 CA A:LYS65 4.8 13.7 1.0 OXT A:SAH402 4.9 15.3 0.3 CB A:LEU72 4.9 13.4 1.0

Iron binding site 3 out of 4 in the M291I Variant 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 M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:13.7 occ:1.00 FE3 A:SF4403 0.0 13.7 1.0 S1 A:SF4403 2.3 14.3 1.0 S4 A:SF4403 2.3 14.2 1.0 S2 A:SF4403 2.3 14.3 1.0 SG A:CYS67 2.3 14.3 1.0 FE2 A:SF4403 2.7 13.8 1.0 FE1 A:SF4403 2.7 13.6 1.0 FE4 A:SF4403 2.9 14.8 1.0 CB A:CYS67 3.2 13.6 1.0 O A:HOH597 3.9 19.6 1.0 S3 A:SF4403 3.9 13.9 1.0 OXT A:SAH402 4.1 15.9 0.7 N A:CYS67 4.2 13.2 1.0 OXT A:SAH402 4.2 15.3 0.3 CA A:CYS67 4.4 13.0 1.0 CB A:LYS65 4.4 14.4 1.0 CB A:CYS70 4.4 13.6 1.0 NH2 A:ARG172 4.5 15.2 1.0 OH A:TYR69 4.6 15.5 1.0 SG A:CYS70 4.6 13.6 1.0 SG A:CYS63 4.7 13.7 1.0 CE1 A:TYR69 4.8 13.2 1.0 O A:HOH583 4.9 18.0 1.0 N A:SAH402 4.9 14.8 0.7 CZ A:TYR69 5.0 13.7 1.0 NE A:ARG172 5.0 14.1 1.0

Iron binding site 4 out of 4 in the M291I Variant 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 M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:14.8 occ:1.00 FE4 A:SF4403 0.0 14.8 1.0 OXT A:SAH402 2.2 15.9 0.7 N A:SAH402 2.2 14.8 0.7 N A:SAH402 2.3 12.9 0.3 S2 A:SF4403 2.3 14.3 1.0 OXT A:SAH402 2.4 15.3 0.3 S1 A:SF4403 2.4 14.3 1.0 S3 A:SF4403 2.4 13.9 1.0 FE2 A:SF4403 2.8 13.8 1.0 FE1 A:SF4403 2.8 13.6 1.0 FE3 A:SF4403 2.9 13.7 1.0 CG A:SAH402 3.0 11.9 0.3 C A:SAH402 3.0 15.9 0.7 CA A:SAH402 3.1 12.6 0.3 C A:SAH402 3.1 12.8 0.3 CA A:SAH402 3.1 14.6 0.7 SD A:SAH402 3.2 18.6 0.7 CB A:SAH402 3.5 13.0 0.3 CG A:SAH402 3.7 16.6 0.7 CB A:SAH402 3.9 14.7 0.7 O A:HOH583 4.0 18.0 1.0 S4 A:SF4403 4.1 14.2 1.0 O A:HOH597 4.1 19.6 1.0 O A:SAH402 4.2 18.4 0.7 O A:SAH402 4.3 10.5 0.3 SD A:SAH402 4.5 12.5 0.3 SG A:CYS63 4.7 13.7 1.0 C5' A:SAH402 4.9 20.3 0.7 SG A:CYS70 4.9 13.6 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