Magnesium in PDB 6gm0: [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q

All present enzymatic activity of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q:
1.12.7.2;

The structure of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q, PDB code: 6gm0 was solved by J.Duan, J.Esselborn, E.Hofmann, M.Winkler, T.Happe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.72 / 2.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.820, 73.040, 103.280, 90.00, 98.44, 90.00
R / Rfree (%)	18.6 / 22.8

The structure of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q also contains other interesting chemical elements:

Iron

(Fe)

40 atoms

The binding sites of Magnesium atom in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q (pdb code 6gm0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q, PDB code: 6gm0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg607 b:43.6 occ:1.00 O A:HOH930 2.1 49.1 1.0 O A:HOH780 2.1 36.2 1.0 O A:HOH788 2.1 34.2 1.0 O A:HOH777 2.1 32.6 1.0 O A:HOH825 2.1 37.8 1.0 O A:LEU218 2.1 34.9 1.0 C A:LEU218 3.2 41.8 1.0 CA A:LEU218 3.9 36.5 1.0 O A:HOH845 4.1 32.9 1.0 O A:ALA220 4.1 35.2 1.0 OD1 A:ASP263 4.3 40.4 1.0 N A:ASN219 4.3 37.8 1.0 OD2 A:ASP263 4.3 35.2 1.0 O A:GLY261 4.5 35.3 1.0 O A:ALA217 4.5 36.7 1.0 O A:LYS223 4.6 33.0 1.0 CA A:ASN219 4.6 38.6 1.0 CB A:LEU218 4.7 35.8 1.0 CG A:ASP263 4.7 38.6 1.0 C A:ASN219 4.8 37.1 1.0 C A:ALA220 4.9 38.1 1.0 N A:ALA220 4.9 33.9 1.0

Magnesium binding site 2 out of 2 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant E279Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg607 b:43.9 occ:1.00 O B:HOH743 2.1 40.0 1.0 O B:HOH928 2.1 46.4 1.0 O B:HOH770 2.1 33.5 1.0 O B:HOH815 2.1 33.9 1.0 O B:HOH835 2.1 29.3 1.0 O B:LEU218 2.1 40.5 1.0 C B:LEU218 3.2 40.1 1.0 CA B:LEU218 3.7 35.6 1.0 O B:HOH788 4.0 33.8 1.0 O B:ALA220 4.0 35.2 1.0 OD2 B:ASP263 4.1 35.7 1.0 OD1 B:ASP263 4.3 32.2 1.0 N B:ASN219 4.3 38.9 1.0 O B:LYS223 4.4 31.7 1.0 O B:ALA217 4.4 38.9 1.0 CB B:LEU218 4.4 31.8 1.0 O B:GLY261 4.5 33.6 1.0 CG B:ASP263 4.7 38.4 1.0 O B:HOH809 4.7 41.7 1.0 CA B:ASN219 4.8 40.6 1.0 CD2 B:LEU218 4.8 32.0 1.0 CG2 B:VAL225 4.8 31.9 1.0 N B:LEU218 4.9 34.7 1.0 C B:ALA220 4.9 36.1 1.0 N B:ALA220 5.0 34.9 1.0 C B:ASN219 5.0 37.0 1.0

J.Duan, M.Senger, J.Esselborn, V.Engelbrecht, F.Wittkamp, U.P.Apfel, E.Hofmann, S.T.Stripp, T.Happe, M.Winkler. Crystallographic and Spectroscopic Assignment of the Proton Transfer Pathway in [Fefe]-Hydrogenases. Nat Commun V. 9 4726 2018.
ISSN: ESSN 2041-1723
PubMed: 30413719
DOI: 10.1038/S41467-018-07140-X