Magnesium in PDB 7cbk: Structure of Human Neutrophil Elastase Ecotin Complex

All present enzymatic activity of Structure of Human Neutrophil Elastase Ecotin Complex:
3.4.21.37;

The structure of Structure of Human Neutrophil Elastase Ecotin Complex, PDB code: 7cbk was solved by C.Jobichen, J.Sivaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.43 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.192, 165.102, 63.998, 90.00, 108.75, 90.00
R / Rfree (%)	19.9 / 26.6

The binding sites of Magnesium atom in the Structure of Human Neutrophil Elastase Ecotin Complex (pdb code 7cbk). 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 Structure of Human Neutrophil Elastase Ecotin Complex, PDB code: 7cbk:

Magnesium binding site 1 out of 1 in the Structure of Human Neutrophil Elastase Ecotin Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human Neutrophil Elastase Ecotin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg309 b:30.8 occ:1.00 O D:CYS220 2.2 31.4 1.0 O D:VAL190 2.6 19.6 1.0 OD1 D:ASP226 2.9 19.9 1.0 N D:VAL190 3.1 22.5 1.0 C D:CYS220 3.2 31.7 1.0 OD2 D:ASP226 3.3 19.4 1.0 C D:GLY189 3.3 24.6 1.0 CG D:ASP226 3.4 20.3 1.0 CA D:GLY189 3.5 26.1 1.0 CG1 D:VAL216 3.5 19.3 1.0 C D:VAL190 3.5 21.2 1.0 CA D:CYS220 3.7 30.0 1.0 CG2 D:VAL190 3.8 18.7 1.0 CA D:VAL190 3.9 21.3 1.0 O D:HOH419 4.0 20.7 1.0 O D:GLY189 4.0 25.6 1.0 CB D:VAL216 4.1 22.6 1.0 O D:HOH410 4.2 19.7 1.0 O D:HOH446 4.3 20.3 1.0 N D:ALA221 4.3 33.8 1.0 CB D:CYS220 4.4 28.2 1.0 N D:GLY189 4.4 28.8 1.0 CB D:VAL190 4.5 20.8 1.0 CA D:ALA221 4.5 36.6 1.0 O D:GLY219 4.6 28.4 1.0 CB D:ASP226 4.7 21.3 1.0 O D:ALA188A 4.7 32.9 1.0 CG2 D:VAL216 4.7 20.0 1.0 O D:HOH447 4.8 33.1 1.0 N D:CYS191 4.8 19.3 1.0 C D:ALA188A 4.9 31.6 1.0 N D:CYS220 4.9 30.4 1.0

C.Jobichen, M.T.Prabhakar, S.N.Loh, J.Sivaraman. Structural Basis For the Inhibition Mechanism of Ecotin Against Neutrophil Elastase By Targeting the Active Site and Secondary Binding Site. Biochemistry V. 59 2788 2020.
ISSN: ISSN 0006-2960
PubMed: 32657577
DOI: 10.1021/ACS.BIOCHEM.0C00493