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Manganese in PDB 6f6b: R2-Like Ligand-Binding Oxidase A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor

Enzymatic activity of R2-Like Ligand-Binding Oxidase A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor:
1.17.4.1;

Protein crystallography data

The structure of R2-Like Ligand-Binding Oxidase A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6f6b 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) 48.62 / 2.01
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.983, 98.065, 127.626, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.6

Other elements in 6f6b:

The structure of R2-Like Ligand-Binding Oxidase A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the R2-Like Ligand-Binding Oxidase A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor (pdb code 6f6b). 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 R2-Like Ligand-Binding Oxidase A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6f6b:

Manganese binding site 1 out of 1 in 6f6b

Go back to Manganese Binding Sites List in 6f6b
Manganese binding site 1 out of 1 in the R2-Like Ligand-Binding Oxidase A171F 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 A171F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn403

b:38.0
occ:1.00
 OE1 A:GLU102 2.1 32.0 1.0
ND1 A:HIS105 2.1 31.3 1.0
OE1 A:GLU69 2.2 33.2 1.0
O A:HOH504 2.2 45.6 1.0
OE2 A:GLU202 2.3 47.6 1.0
CE1 A:HIS105 2.9 40.2 1.0
HE1 A:HIS105 3.0 48.2 1.0
CD A:GLU69 3.1 41.7 1.0
CD A:GLU102 3.2 31.2 1.0
CG A:HIS105 3.2 38.6 1.0
OE2 A:GLU69 3.3 48.2 1.0
CD A:GLU202 3.4 40.3 1.0
HB2 A:HIS105 3.4 56.2 1.0
OE2 A:GLU167 3.6 42.8 1.0
HA A:GLU102 3.6 38.4 1.0
OE2 A:GLU102 3.6 36.1 1.0
HB3 A:HIS105 3.6 56.2 1.0
CB A:HIS105 3.7 46.9 1.0
HG21 A:VAL72 3.7 37.6 1.0
FE A:FE2401 3.7 37.0 1.0
HG A:LEU198 4.0 48.8 1.0
NE2 A:HIS105 4.1 36.1 1.0
HH A:TYR175 4.1 78.6 1.0
HE1 A:HIS205 4.1 43.8 1.0
HG2 A:GLU202 4.1 58.7 1.0
HG3 A:GLU202 4.2 58.7 1.0
CG A:GLU202 4.2 48.9 1.0
OE1 A:GLU202 4.2 39.6 1.0
CD2 A:HIS105 4.2 36.9 1.0
HA A:GLU69 4.3 49.3 1.0
HD21 A:LEU198 4.3 55.5 1.0
HE2 A:PHE171 4.3 47.4 1.0
HD11 A:LEU198 4.3 49.1 1.0
HG23 A:VAL72 4.4 37.6 1.0
CG2 A:VAL72 4.4 31.3 1.0
CA A:GLU102 4.5 32.0 1.0
CG A:GLU102 4.5 34.1 1.0
HD2 A:PHE171 4.5 45.4 1.0
CG A:GLU69 4.5 44.0 1.0
OH A:TYR175 4.6 65.5 1.0
HB3 A:GLU102 4.6 37.0 1.0
HB3 A:GLU69 4.7 45.5 1.0
CG A:LEU198 4.7 40.7 1.0
HG22 A:VAL72 4.7 37.6 1.0
CE1 A:HIS205 4.7 36.5 1.0
CB A:GLU102 4.7 30.8 1.0
CD A:GLU167 4.8 35.8 1.0
HG3 A:GLU69 4.8 52.8 1.0
CE2 A:PHE171 4.8 39.5 1.0
ND1 A:HIS205 4.9 31.6 1.0
HE2 A:HIS105 4.9 43.3 1.0
CD2 A:PHE171 4.9 37.9 1.0
CD2 A:LEU198 4.9 46.3 1.0
CD1 A:LEU198 5.0 41.0 1.0
CB A:GLU69 5.0 37.9 1.0

Reference:

J.J.Griese, R.Kositzki, M.Haumann, M.Hogbom. Assembly of A Heterodinuclear Mn/Fe Cofactor Is Coupled to Tyrosine-Valine Ether Cross-Link Formation in the R2-Like Ligand-Binding Oxidase. J. Biol. Inorg. Chem. V. 24 211 2019.
ISSN: ESSN 1432-1327
PubMed: 30689052
DOI: 10.1007/S00775-019-01639-4
Page generated: Tue Dec 15 04:53:07 2020

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