Manganese in PDB 6qk1: R2-Like Ligand-Binding Oxidase Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor:
1.17.4.1;

The structure of R2-Like Ligand-Binding Oxidase Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6qk1 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)	38.85 / 1.75
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	55.868, 97.304, 129.112, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22.1

The structure of R2-Like Ligand-Binding Oxidase Y175F 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 Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor (pdb code 6qk1). 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 Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6qk1:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the R2-Like Ligand-Binding Oxidase Y175F 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 Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:26.6 occ:1.00 O2 A:PLM401 1.7 39.9 1.0 OE2 A:GLU69 2.1 26.2 1.0 ND1 A:HIS105 2.1 22.8 1.0 OE2 A:GLU102 2.2 26.6 1.0 O A:HOH508 2.2 28.1 1.0 O A:HOH511 2.4 31.5 1.0 C1 A:PLM401 2.8 32.1 1.0 CE1 A:HIS105 3.0 23.4 1.0 CD A:GLU69 3.0 34.5 1.0 HE1 A:HIS105 3.1 28.1 1.0 CD A:GLU102 3.2 28.4 1.0 CG A:HIS105 3.2 21.7 1.0 O1 A:PLM401 3.3 32.7 1.0 OE1 A:GLU69 3.3 32.6 1.0 FE A:FE404 3.5 32.5 1.0 HB2 A:HIS105 3.5 32.7 1.0 OE1 A:GLU102 3.5 28.9 1.0 HB3 A:HIS105 3.6 32.7 1.0 OE1 A:GLU202 3.6 47.9 1.0 CB A:HIS105 3.7 27.3 1.0 HA A:GLU102 3.7 27.2 1.0 HG21 A:VAL72 3.9 30.9 1.0 C2 A:PLM401 4.1 40.9 1.0 HE1 A:HIS205 4.1 30.6 1.0 H31 A:PLM401 4.2 40.7 1.0 NE2 A:HIS105 4.2 28.2 1.0 HG A:LEU198 4.2 42.9 1.0 HA A:GLU69 4.2 31.8 1.0 CD2 A:HIS105 4.3 26.5 1.0 H32 A:PLM401 4.3 40.7 1.0 CG A:GLU69 4.4 29.3 1.0 CD A:GLU202 4.4 45.8 1.0 OE2 A:GLU202 4.4 31.1 1.0 HB3 A:GLU69 4.5 31.8 1.0 C3 A:PLM401 4.5 34.0 1.0 HD23 A:LEU198 4.5 38.4 1.0 CG A:GLU102 4.6 24.7 1.0 CA A:GLU102 4.6 22.7 1.0 HG23 A:VAL72 4.6 30.9 1.0 CG2 A:VAL72 4.6 25.8 1.0 HB3 A:GLU102 4.7 28.6 1.0 H21 A:PLM401 4.7 49.1 1.0 CE1 A:HIS205 4.8 25.5 1.0 HG3 A:GLU69 4.8 35.2 1.0 HG22 A:VAL72 4.8 30.9 1.0 H22 A:PLM401 4.8 49.1 1.0 CB A:GLU69 4.8 26.5 1.0 HZ A:PHE175 4.8 41.6 1.0 ND1 A:HIS205 4.9 31.1 1.0 CB A:GLU102 4.9 23.9 1.0 HE2 A:HIS105 4.9 33.8 1.0 HD21 A:LEU198 4.9 38.4 1.0 CA A:GLU69 5.0 26.5 1.0

Manganese binding site 2 out of 2 in the R2-Like Ligand-Binding Oxidase Y175F 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 Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:76.4 occ:0.90 NE2 A:HIS130 2.3 44.4 1.0 CD2 A:HIS130 3.2 45.1 1.0 HD2 A:HIS130 3.3 54.1 1.0 CE1 A:HIS130 3.3 46.5 1.0 HE1 A:HIS130 3.6 55.8 1.0 O A:HOH526 4.2 50.7 1.0 OD2 A:ASP129 4.2 60.3 1.0 CG A:HIS130 4.4 42.1 1.0 ND1 A:HIS130 4.4 44.1 1.0 OD1 A:ASP129 4.5 50.0 1.0 HA3 A:GLY240 4.8 46.2 1.0 O A:HOH573 4.8 42.7 1.0 CG A:ASP129 4.8 48.1 1.0 O A:HOH529 5.0 46.8 1.0

J.J.Griese, M.Hogbom. R2-Like Ligand-Binding Oxidase Y175F Mutant with Aerobically Reconstituted Mn/Fe Cofactor To Be Published.