Magnesium in PDB 7wh5: Crystal Structure of Human Clpp in Complex with ZG180

All present enzymatic activity of Crystal Structure of Human Clpp in Complex with ZG180:
3.4.21.92;

The structure of Crystal Structure of Human Clpp in Complex with ZG180, PDB code: 7wh5 was solved by B.Y.Wei, J.H.Gan, C.-G.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.33 / 2.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.89, 97.025, 131.42, 90, 93.7, 90
R / Rfree (%)	23 / 24.9

The structure of Crystal Structure of Human Clpp in Complex with ZG180 also contains other interesting chemical elements:

Fluorine

(F)

42 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human Clpp in Complex with ZG180 (pdb code 7wh5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Human Clpp in Complex with ZG180, PDB code: 7wh5:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Clpp in Complex with ZG180 within 5.0Å range: probe atom residue distance (Å) B Occ N:Mg302 b:57.9 occ:1.00 O N:ILE139 2.5 40.6 1.0 O N:GLN137 2.6 47.8 1.0 O N:HOH419 2.7 29.7 1.0 C N:GLN137 3.6 43.1 1.0 C N:ILE139 3.7 41.5 1.0 O N:MET136 3.9 36.3 1.0 CA N:GLN137 4.1 40.6 1.0 CD2 H:HIS247 4.2 51.6 1.0 NE2 H:HIS247 4.2 54.0 1.0 CA N:LEU140 4.3 46.2 1.0 N N:LEU140 4.5 44.0 1.0 C N:TYR138 4.5 36.7 1.0 C N:LEU140 4.5 43.8 1.0 O N:LEU140 4.5 44.8 1.0 O N:ASN141 4.5 42.4 1.0 N N:ILE139 4.5 38.5 1.0 N N:TYR138 4.6 39.1 1.0 O N:TYR138 4.6 34.0 1.0 CA N:ILE139 4.8 38.6 1.0 C N:MET136 4.8 37.0 1.0 CA N:TYR138 5.0 39.8 1.0 N N:GLN137 5.0 38.5 1.0

B.Wei, T.Zhang, P.Wang, Y.Pan, J.Li, W.Chen, M.Zhang, Q.Ji, W.Wu, L.Lan, J.Gan, C.G.Yang. Anti-Infective Therapy Using Species-Specific Activators of Staphylococcus Aureus Clpp. Nat Commun V. 13 6909 2022.
ISSN: ESSN 2041-1723
PubMed: 36376309
DOI: 10.1038/S41467-022-34753-0