Manganese in PDB 6qk2: R2-Like Ligand-Binding Oxidase Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor:
1.17.4.1;

The structure of R2-Like Ligand-Binding Oxidase Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6qk2 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)	48.59 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	129.119, 97.794, 55.994, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19

The structure of R2-Like Ligand-Binding Oxidase Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Manganese atom in the R2-Like Ligand-Binding Oxidase Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor (pdb code 6qk2). 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 Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6qk2:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the R2-Like Ligand-Binding Oxidase Y715F Mutant with Anaerobically 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 Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:18.4 occ:1.00 O2 A:PLM404 1.8 36.4 1.0 OE1 A:GLU102 2.1 19.2 1.0 OE1 A:GLU69 2.1 21.4 1.0 ND1 A:HIS105 2.1 17.3 1.0 O A:HOH502 2.2 28.0 1.0 OE2 A:GLU202 2.2 22.5 1.0 C1 A:PLM404 2.8 30.2 1.0 CE1 A:HIS105 3.0 20.5 1.0 HE1 A:HIS105 3.0 24.6 1.0 CD A:GLU69 3.1 24.4 1.0 CD A:GLU102 3.2 20.0 1.0 CG A:HIS105 3.3 15.5 1.0 CD A:GLU202 3.3 23.0 1.0 OE2 A:GLU69 3.3 25.5 1.0 O1 A:PLM404 3.4 22.5 1.0 HB2 A:HIS105 3.5 19.9 1.0 OE2 A:GLU102 3.6 22.6 1.0 HB3 A:HIS105 3.6 19.9 1.0 HA A:GLU102 3.7 18.6 1.0 FE A:FE2401 3.7 22.6 1.0 CB A:HIS105 3.7 16.6 1.0 HG21 A:VAL72 3.8 24.9 1.0 H32 A:PLM404 3.9 39.5 1.0 H31 A:PLM404 4.0 39.5 1.0 HG2 A:GLU202 4.0 29.7 1.0 HG3 A:GLU202 4.0 29.7 1.0 CG A:GLU202 4.1 24.7 1.0 C2 A:PLM404 4.1 44.0 1.0 NE2 A:HIS105 4.2 17.4 1.0 OE1 A:GLU202 4.2 24.8 1.0 HG A:LEU198 4.3 25.9 1.0 C3 A:PLM404 4.3 33.0 1.0 CD2 A:HIS105 4.3 20.3 1.0 HE1 A:HIS205 4.3 25.7 1.0 HA A:GLU69 4.4 21.2 1.0 CG A:GLU69 4.5 22.4 1.0 CG A:GLU102 4.5 16.0 1.0 CA A:GLU102 4.6 15.5 1.0 HG23 A:VAL72 4.6 24.9 1.0 HD23 A:LEU198 4.6 25.5 1.0 CG2 A:VAL72 4.6 20.7 1.0 HB3 A:GLU102 4.6 20.8 1.0 HB3 A:GLU69 4.7 23.1 1.0 H22 A:PLM404 4.8 52.9 1.0 CB A:GLU102 4.8 17.3 1.0 HG22 A:VAL72 4.8 24.9 1.0 HZ A:PHE175 4.8 26.8 1.0 HG3 A:GLU69 4.8 26.8 1.0 H21 A:PLM404 4.8 52.9 1.0 HE2 A:HIS105 4.9 20.8 1.0 CE1 A:HIS205 4.9 21.4 1.0 ND1 A:HIS205 4.9 20.8 1.0 HG2 A:GLU102 4.9 19.2 1.0 CB A:GLU69 5.0 19.2 1.0

Manganese binding site 2 out of 2 in the R2-Like Ligand-Binding Oxidase Y715F Mutant with Anaerobically 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 Y715F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn403 b:18.1 occ:1.00 O2 B:PLM404 1.8 33.6 1.0 OE1 B:GLU102 2.1 20.4 1.0 OE1 B:GLU69 2.1 21.4 1.0 ND1 B:HIS105 2.2 17.2 1.0 O B:HOH501 2.2 25.3 1.0 OE2 B:GLU202 2.2 22.0 1.0 C1 B:PLM404 2.9 31.0 1.0 CE1 B:HIS105 3.0 17.0 1.0 CD B:GLU69 3.1 24.7 1.0 HE1 B:HIS105 3.1 20.5 1.0 CD B:GLU102 3.2 21.1 1.0 CG B:HIS105 3.3 15.4 1.0 OE2 B:GLU69 3.3 24.3 1.0 CD B:GLU202 3.3 20.5 1.0 O1 B:PLM404 3.5 28.9 1.0 HB2 B:HIS105 3.5 19.4 1.0 HB3 B:HIS105 3.5 19.4 1.0 OE2 B:GLU102 3.5 21.4 1.0 FE B:FE2402 3.6 22.8 1.0 CB B:HIS105 3.7 16.1 1.0 HA B:GLU102 3.7 19.8 1.0 HG21 B:VAL72 3.8 24.6 1.0 H31 B:PLM404 3.9 37.9 1.0 HG2 B:GLU202 4.0 28.1 1.0 HG3 B:GLU202 4.1 28.1 1.0 CG B:GLU202 4.1 23.4 1.0 C2 B:PLM404 4.2 38.1 1.0 NE2 B:HIS105 4.2 18.3 1.0 HG B:LEU198 4.2 22.0 1.0 OE1 B:GLU202 4.2 24.0 1.0 HE1 B:HIS205 4.3 25.3 1.0 H32 B:PLM404 4.3 37.9 1.0 CD2 B:HIS105 4.3 17.1 1.0 HA B:GLU69 4.4 20.5 1.0 C3 B:PLM404 4.4 31.5 1.0 CG B:GLU69 4.5 19.9 1.0 CG B:GLU102 4.5 16.3 1.0 HG23 B:VAL72 4.5 24.6 1.0 CG2 B:VAL72 4.6 20.5 1.0 CA B:GLU102 4.6 16.5 1.0 HB3 B:GLU69 4.6 24.5 1.0 HB3 B:GLU102 4.7 21.2 1.0 HD23 B:LEU198 4.7 26.3 1.0 CB B:GLU102 4.8 17.7 1.0 HG22 B:VAL72 4.8 24.6 1.0 H21 B:PLM404 4.8 45.8 1.0 CE1 B:HIS205 4.8 21.1 1.0 H22 B:PLM404 4.8 45.8 1.0 ND1 B:HIS205 4.9 21.9 1.0 HG3 B:GLU69 4.9 23.9 1.0 HZ B:PHE175 4.9 26.2 1.0 CB B:GLU69 4.9 20.4 1.0 HG2 B:GLU102 4.9 19.5 1.0 HE2 B:HIS105 4.9 22.0 1.0

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