Zinc in PDB 8a6t: Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State

All present enzymatic activity of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State:
1.12.1.3;

The structure of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State also contains other interesting chemical elements:

Iron

(Fe)

72 atoms

The binding sites of Zinc atom in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State (pdb code 8a6t). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State, PDB code: 8a6t:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn703 b:81.7 occ:1.00 NE2 B:HIS558 2.1 24.6 1.0 SG B:CYS564 2.3 23.8 1.0 SG B:CYS569 2.3 37.9 1.0 SG B:CYS471 2.3 12.0 1.0 CE1 B:HIS558 2.5 24.6 1.0 CB B:CYS564 3.2 23.8 1.0 CB B:CYS471 3.3 12.0 1.0 CD2 B:HIS558 3.4 24.6 1.0 CB B:CYS569 3.6 37.9 1.0 ND1 B:HIS558 3.8 24.6 1.0 CA B:CYS564 4.1 23.8 1.0 N B:CYS569 4.1 37.9 1.0 CG B:HIS558 4.2 24.6 1.0 CA B:CYS569 4.5 37.9 1.0 CA B:CYS471 4.7 12.0 1.0 C B:CYS564 4.9 23.8 1.0 N B:ALA568 4.9 22.8 1.0 C B:ALA568 5.0 22.8 1.0

Zinc binding site 2 out of 2 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn703 b:103.6 occ:1.00 NE2 E:HIS558 2.1 23.8 1.0 SG E:CYS564 2.3 25.6 1.0 SG E:CYS569 2.3 35.1 1.0 SG E:CYS471 2.3 12.2 1.0 CE1 E:HIS558 2.5 23.8 1.0 CB E:CYS564 3.3 25.6 1.0 CB E:CYS471 3.4 12.2 1.0 CD2 E:HIS558 3.4 23.8 1.0 CB E:CYS569 3.6 35.1 1.0 ND1 E:HIS558 3.8 23.8 1.0 CA E:CYS564 4.1 25.6 1.0 N E:CYS569 4.1 35.1 1.0 CG E:HIS558 4.2 23.8 1.0 CA E:CYS569 4.5 35.1 1.0 CA E:CYS471 4.7 12.2 1.0 C E:CYS564 4.9 25.6 1.0 N E:ALA568 4.9 24.0 1.0 C E:ALA568 5.0 24.0 1.0

A.Katsyv, A.Kumar, P.Saura, M.C.Poeverlein, S.A.Freibert, S.Stripp, S.Jain, A.P.Gamiz-Hernandez, V.R.I.Kaila, V.Mueller, J.M.Schuller. Molecular Basis of the Electron Bifurcation Mechanism in the [Fefe]-Hydrogenase Complex Hydabc J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.2C11683