Magnesium in PDB 8xwb: Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin

All present enzymatic activity of Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin:
1.16.3.1;

The structure of Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin, PDB code: 8xwb was solved by W.J.Gong, W.M.Wang, H.F.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.14 / 1.69
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	183.68, 183.68, 183.68, 90, 90, 90
R / Rfree (%)	15.9 / 19.5

The structure of Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin (pdb code 8xwb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin, PDB code: 8xwb:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin


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 Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg205 b:16.0 occ:0.40 O A:HOH558 2.0 23.5 0.5 O A:HOH488 2.1 27.3 1.0 O A:HOH320 4.2 21.8 1.0 NZ A:LYS86 4.4 29.0 1.0 O A:HOH531 4.5 40.7 1.0 O A:HOH502 4.6 31.8 1.0 CE A:LYS87 4.7 32.8 1.0 CD A:LYS86 4.7 23.2 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg206 b:17.8 occ:0.33 O A:HOH324 2.0 20.4 1.0 O A:HOH497 2.1 20.4 1.0 OE2 A:GLU134 3.9 20.8 1.0 O A:HOH381 4.2 26.1 1.0 O A:HOH537 4.3 21.7 1.0 OE1 A:GLU134 4.3 26.7 1.0 CD A:GLU134 4.5 24.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Dinitrosyl Iron Units Binding with Human Heavy Chain Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg207 b:31.7 occ:1.00 O A:HOH382 2.0 32.2 1.0 O A:HOH553 2.1 37.8 1.0 O A:HOH418 2.4 32.5 1.0 OD2 A:ASP131 3.9 28.8 1.0 CG2 A:THR135 4.3 26.2 1.0 O A:HOH467 4.4 35.0 1.0 OG1 A:THR135 4.4 26.8 1.0 O A:HOH498 4.5 39.6 1.0 OD1 A:ASP131 4.7 26.8 1.0 CG A:ASP131 4.7 20.7 1.0 O A:HOH550 4.8 49.5 1.0 CB A:THR135 4.9 21.1 1.0

W.Gong, T.Wu, Y.Liu, S.Jiao, W.Wang, W.Yan, Y.Li, Y.Liu, Y.Zhang, H.Wang. Insight Into the Photodynamic Mechanism and Protein Binding of A Nitrosyl Iron-Sulfur [Fe 2 S 2 (No) 4 ] 2- Cluster. Spectrochim Acta A Mol V. 320 24603 2024BIOMOL Spectrosc.
ISSN: ISSN 1873-3557
PubMed: 38878720
DOI: 10.1016/J.SAA.2024.124603