Manganese in PDB 7qbk: Crystal Structure of A Second Homolog of R2-Like Ligand-Binding Oxidase in Sulfolobus Acidocaldarius (SAR2LOXII)

The structure of Crystal Structure of A Second Homolog of R2-Like Ligand-Binding Oxidase in Sulfolobus Acidocaldarius (SAR2LOXII), PDB code: 7qbk was solved by H.Lebrette, R.Diamanti, V.Srinivas, M.Hogbom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.91 / 2.26
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	128.029, 128.029, 41.894, 90, 90, 120
R / Rfree (%)	20.2 / 23.9

The structure of Crystal Structure of A Second Homolog of R2-Like Ligand-Binding Oxidase in Sulfolobus Acidocaldarius (SAR2LOXII) also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Manganese atom in the Crystal Structure of A Second Homolog of R2-Like Ligand-Binding Oxidase in Sulfolobus Acidocaldarius (SAR2LOXII) (pdb code 7qbk). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of A Second Homolog of R2-Like Ligand-Binding Oxidase in Sulfolobus Acidocaldarius (SAR2LOXII), PDB code: 7qbk:

Manganese binding site 1 out of 1 in the Crystal Structure of A Second Homolog of R2-Like Ligand-Binding Oxidase in Sulfolobus Acidocaldarius (SAR2LOXII)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of A Second Homolog of R2-Like Ligand-Binding Oxidase in Sulfolobus Acidocaldarius (SAR2LOXII) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:51.8 occ:0.35 OE1 A:GLU75 1.9 54.8 1.0 O A:HOH548 2.2 54.1 1.0 OE1 A:GLU108 2.2 50.7 1.0 ND1 A:HIS111 2.3 34.7 1.0 CD A:GLU75 2.7 62.5 1.0 CD A:GLU108 2.7 49.5 1.0 OE2 A:GLU108 2.8 54.4 1.0 OE2 A:GLU75 2.9 61.2 1.0 FE A:FE402 3.1 55.0 0.3 CE1 A:HIS111 3.1 37.4 1.0 CG A:HIS111 3.4 37.4 1.0 CB A:HIS111 3.9 32.2 1.0 CG A:GLU108 4.1 41.5 1.0 CG A:GLU75 4.1 38.1 1.0 CA A:GLU108 4.2 28.5 1.0 OE2 A:GLU175 4.3 61.7 1.0 NE2 A:HIS111 4.3 40.6 1.0 CD2 A:HIS111 4.5 37.1 1.0 CE1 A:HIS213 4.5 43.8 1.0 CB A:GLU108 4.5 32.4 1.0 ND1 A:HIS213 4.5 45.9 1.0 CB A:GLU75 4.6 42.1 1.0 OH A:TYR183 4.7 44.2 1.0 CG2 A:ILE206 4.8 28.1 1.0 N A:GLU108 4.9 32.2 1.0 O A:GLU108 4.9 45.0 1.0

R.Diamanti, V.Srinivas, A.I.Johansson, A.Nordstrom, J.J.Griese, H.Lebrette, M.Hogbom. Comparative Structural Analysis Provides New Insights Into the Function of R2-Like Ligand-Binding Oxidase. Febs Lett. V. 596 1600 2022.
ISSN: ISSN 0014-5793
PubMed: 35175627
DOI: 10.1002/1873-3468.14319