Magnesium in PDB 7jve: Crystal Structure of Salmonella Enterica Typhimurium Bcfh

The structure of Crystal Structure of Salmonella Enterica Typhimurium Bcfh, PDB code: 7jve was solved by P.Subedi, B.Heras, L.Hor, J.J.Paxman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.65 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.012, 133.731, 146.75, 90, 90, 90
R / Rfree (%)	16.7 / 20.9

The binding sites of Magnesium atom in the Crystal Structure of Salmonella Enterica Typhimurium Bcfh (pdb code 7jve). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Salmonella Enterica Typhimurium Bcfh, PDB code: 7jve:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Salmonella Enterica Typhimurium Bcfh


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 Salmonella Enterica Typhimurium Bcfh within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:54.5 occ:1.00 NZ A:LYS149 3.0 40.4 1.0 O A:HOH561 3.2 35.3 1.0 CE A:LYS149 3.8 29.7 1.0 CE2 A:TYR179 3.9 24.7 1.0 O A:HIS178 4.1 32.9 1.0 CD2 A:TYR179 4.1 27.2 1.0 CZ A:TYR179 4.3 24.4 1.0 CD A:LYS149 4.3 22.9 1.0 CG A:TYR179 4.6 30.2 1.0 OH A:TYR179 4.8 31.3 1.0 CE1 A:TYR179 4.9 24.3 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Salmonella Enterica Typhimurium Bcfh


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 Salmonella Enterica Typhimurium Bcfh within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:41.6 occ:1.00 OG1 B:THR114 3.1 34.9 1.0 N B:ASP113 3.2 41.0 1.0 NZ B:LYS253 3.2 57.2 1.0 C B:ASN111 3.4 39.7 1.0 CA B:ASN111 3.4 41.6 1.0 CE B:LYS253 3.4 55.9 1.0 CB B:ASN111 3.6 39.0 1.0 N B:THR114 3.6 39.3 1.0 N B:PRO112 3.7 38.1 1.0 C B:ASP113 3.7 44.5 1.0 CA B:ASP113 3.7 42.8 1.0 O B:ASN111 3.8 38.7 1.0 CB B:ASP113 3.9 51.0 1.0 OD1 B:ASN111 4.0 41.0 1.0 CD B:PRO112 4.1 43.0 1.0 CB B:THR114 4.1 35.4 1.0 C B:PRO112 4.2 45.8 1.0 CG B:ASN111 4.3 42.0 1.0 O B:ASP113 4.4 45.6 1.0 CA B:THR114 4.4 37.6 1.0 CA B:PRO112 4.5 45.1 1.0 O B:HOH477 4.7 42.5 1.0 N B:ASN111 4.8 40.8 1.0 CG B:PRO112 4.8 42.3 1.0 OD1 B:ASP113 4.9 66.3 1.0 CD B:LYS253 4.9 50.2 1.0 CG B:ASP113 4.9 64.6 1.0 O B:ALA110 4.9 41.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Salmonella Enterica Typhimurium Bcfh


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 Salmonella Enterica Typhimurium Bcfh within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:38.9 occ:1.00 NZ C:LYS253 3.2 62.5 1.0 N C:ASP113 3.2 41.8 1.0 CA C:ASN111 3.4 42.0 1.0 OG1 C:THR114 3.4 39.3 1.0 C C:ASN111 3.4 42.4 1.0 C C:ASP113 3.5 45.0 1.0 N C:THR114 3.5 39.6 1.0 CB C:ASP113 3.6 49.3 1.0 CA C:ASP113 3.6 40.3 1.0 CB C:ASN111 3.6 42.2 1.0 O C:HOH527 3.7 51.5 1.0 O C:ASN111 3.7 39.7 1.0 N C:PRO112 3.9 42.5 1.0 OD1 C:ASN111 4.1 39.6 1.0 O C:ASP113 4.1 44.5 1.0 CB C:THR114 4.1 35.7 1.0 CD C:PRO112 4.1 44.3 1.0 CD C:LYS253 4.3 68.5 1.0 CE C:LYS253 4.3 68.5 1.0 C C:PRO112 4.4 46.0 1.0 CG C:ASN111 4.4 38.7 1.0 CA C:THR114 4.4 39.1 1.0 O C:HOH460 4.6 47.8 1.0 CG C:ASP113 4.7 57.1 1.0 CA C:PRO112 4.7 43.9 1.0 N C:ASN111 4.7 42.7 1.0 O C:ALA110 4.8 43.2 1.0 OD2 C:ASP113 4.8 60.7 1.0 CG C:PRO112 4.9 40.6 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Salmonella Enterica Typhimurium Bcfh


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Salmonella Enterica Typhimurium Bcfh within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg301 b:36.4 occ:1.00 O F:HOH456 3.2 39.5 1.0 N F:GLU68 3.2 31.7 1.0 CB F:GLU68 3.2 27.2 1.0 CA F:TYR65 3.7 34.1 1.0 CA F:GLU68 3.8 27.2 1.0 C F:TYR65 3.8 31.5 1.0 CD1 F:TYR65 3.8 35.6 1.0 O F:TYR65 3.8 28.7 1.0 N F:ALA67 4.1 30.6 1.0 C F:ALA67 4.2 32.8 1.0 CB F:ALA67 4.2 33.6 1.0 CB F:TYR65 4.3 29.6 1.0 O F:GLN64 4.3 33.4 1.0 CA F:ALA67 4.4 33.0 1.0 N F:ARG66 4.5 33.3 1.0 CG F:TYR65 4.6 35.6 1.0 CG F:GLU68 4.6 40.3 1.0 CE1 F:TYR65 4.7 38.3 1.0 N F:TYR65 4.9 36.0 1.0 C F:ARG66 4.9 32.7 1.0

P.Subedi, J.J.Paxman, G.Wang, L.Hor, Y.Hong, A.D.Verderosa, A.E.Whitten, S.Panjikar, C.F.Santos-Martin, J.L.Martin, M.Totsika, B.Heras. Salmonella Enterica Bcfh Is A Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities. Antioxid.Redox Signal. 2021.
ISSN: ESSN 1557-7716
PubMed: 33607928
DOI: 10.1089/ARS.2020.8218