Manganese in PDB 6qjv: R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor:
1.17.4.1;

The structure of R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6qjv was solved by J.J.Griese, M.Hogbom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.35 / 1.91
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	55.870, 96.824, 129.200, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.4

The structure of R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Manganese atom in the R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor (pdb code 6qjv). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6qjv:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:23.8 occ:1.00 O2 A:PLM401 1.8 38.4 1.0 OD1 A:ASP69 2.0 29.7 1.0 O A:HOH511 2.1 29.6 1.0 OE2 A:GLU102 2.1 25.4 1.0 ND1 A:HIS105 2.2 23.8 1.0 O A:HOH527 2.3 29.6 1.0 C1 A:PLM401 2.8 44.8 1.0 CE1 A:HIS105 3.1 22.5 1.0 CG A:ASP69 3.1 36.6 1.0 CD A:GLU102 3.2 27.1 1.0 HE1 A:HIS105 3.2 27.0 1.0 O1 A:PLM401 3.2 39.2 1.0 CG A:HIS105 3.3 21.6 1.0 OE1 A:GLU102 3.5 25.4 1.0 HB3 A:HIS105 3.5 32.9 1.0 HB2 A:HIS105 3.5 32.9 1.0 FE A:FE404 3.5 26.8 1.0 OD2 A:ASP69 3.5 32.8 1.0 CB A:HIS105 3.7 27.4 1.0 HA A:GLU102 3.7 26.5 1.0 HG21 A:VAL72 3.8 34.1 1.0 OE1 A:GLU202 4.1 32.0 1.0 HA A:ASP69 4.1 32.5 1.0 C2 A:PLM401 4.1 27.2 1.0 HG A:LEU198 4.2 29.4 1.0 H32 A:PLM401 4.2 36.0 1.0 HE1 A:HIS205 4.2 31.1 1.0 HH A:TYR175 4.2 32.8 1.0 NE2 A:HIS105 4.3 22.0 1.0 H31 A:PLM401 4.3 36.0 1.0 OH A:TYR175 4.3 27.4 1.0 CD2 A:HIS105 4.4 23.3 1.0 CB A:ASP69 4.4 22.9 1.0 HG23 A:VAL72 4.5 34.1 1.0 C3 A:PLM401 4.5 30.0 1.0 CG2 A:VAL72 4.5 28.4 1.0 CG A:GLU102 4.5 21.6 1.0 HB3 A:GLU102 4.6 26.3 1.0 HB3 A:ASP69 4.6 27.4 1.0 CA A:GLU102 4.6 22.1 1.0 HG22 A:VAL72 4.7 34.1 1.0 H21 A:PLM401 4.7 32.7 1.0 CA A:ASP69 4.8 27.1 1.0 HD23 A:LEU198 4.8 34.2 1.0 OE2 A:GLU202 4.8 28.9 1.0 CB A:GLU102 4.8 21.9 1.0 H22 A:PLM401 4.8 32.7 1.0 CD A:GLU202 4.8 33.1 1.0 CE1 A:HIS205 4.8 25.9 1.0 ND1 A:HIS205 4.9 24.1 1.0 HG2 A:GLU102 5.0 26.0 1.0

Manganese binding site 2 out of 2 in the R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:79.7 occ:0.95 NE2 A:HIS130 2.4 47.8 1.0 CD2 A:HIS130 3.2 43.5 1.0 HD2 A:HIS130 3.2 52.2 1.0 CE1 A:HIS130 3.4 47.6 1.0 HE1 A:HIS130 3.7 57.1 1.0 O A:HOH602 3.7 51.2 1.0 OD2 A:ASP129 4.2 58.9 1.0 O A:HOH537 4.3 40.0 1.0 CG A:HIS130 4.4 43.8 1.0 ND1 A:HIS130 4.5 41.0 1.0 OD1 A:ASP129 4.5 54.1 1.0 HA3 A:GLY240 4.8 37.4 1.0 CG A:ASP129 4.8 48.4 1.0 O A:HOH559 4.9 41.9 1.0

J.J.Griese, M.Hogbom. R2-Like Ligand-Binding Oxidase E69D Mutant with Aerobically Reconstituted Mn/Fe Cofactor To Be Published.