Manganese in PDB 6i92: R2-Like Ligand-Binding Oxidase G68F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor

Enzymatic activity of R2-Like Ligand-Binding Oxidase G68F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase G68F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor:
1.17.4.1;

Protein crystallography data

The structure of R2-Like Ligand-Binding Oxidase G68F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6i92 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) 48.60 / 1.85
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 56.236, 96.593, 127.638, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 22.9

Other elements in 6i92:

The structure of R2-Like Ligand-Binding Oxidase G68F 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 G68F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor (pdb code 6i92). 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 G68F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6i92:

Manganese binding site 1 out of 1 in 6i92

Go back to Manganese Binding Sites List in 6i92
Manganese binding site 1 out of 1 in the R2-Like Ligand-Binding Oxidase G68F 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 G68F Mutant with Anaerobically Reconstituted Mn/Fe Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:37.5
occ:1.00
 O A:HOH504 1.9 49.0 1.0
OE1 A:GLU69 2.1 40.0 1.0
OE1 A:GLU102 2.1 35.1 1.0
OE2 A:GLU202 2.2 39.8 1.0
ND1 A:HIS105 2.2 38.6 1.0
CD A:GLU69 3.0 45.5 1.0
CE1 A:HIS105 3.0 37.0 1.0
HE1 A:HIS105 3.1 44.4 1.0
CD A:GLU102 3.2 38.6 1.0
CD A:GLU202 3.3 40.4 1.0
OE2 A:GLU69 3.3 49.1 1.0
CG A:HIS105 3.3 36.4 1.0
HB2 A:HIS105 3.5 44.3 1.0
OE2 A:GLU167 3.6 41.7 1.0
HA A:GLU102 3.6 41.0 1.0
HG21 A:VAL72 3.6 50.5 1.0
OE2 A:GLU102 3.6 40.0 1.0
FE A:FE2402 3.6 34.7 1.0
HB3 A:HIS105 3.7 44.3 1.0
CB A:HIS105 3.8 36.9 1.0
HG A:LEU198 3.8 42.5 1.0
HG2 A:GLU202 3.9 46.1 1.0
HG3 A:GLU202 4.0 46.1 1.0
CG A:GLU202 4.0 38.5 1.0
HE1 A:HIS205 4.1 44.3 1.0
HD11 A:LEU198 4.1 52.2 1.0
OE1 A:GLU202 4.1 36.7 1.0
NE2 A:HIS105 4.2 39.8 1.0
HD21 A:LEU198 4.2 46.3 1.0
HG23 A:VAL72 4.3 50.5 1.0
HA A:GLU69 4.3 53.0 1.0
CG2 A:VAL72 4.3 42.0 1.0
CD2 A:HIS105 4.4 37.3 1.0
CG A:GLU69 4.4 40.6 1.0
CG A:GLU102 4.5 32.7 1.0
CA A:GLU102 4.5 34.1 1.0
CG A:LEU198 4.5 35.4 1.0
HG22 A:VAL72 4.6 50.5 1.0
HB3 A:GLU69 4.6 47.2 1.0
CD1 A:LEU198 4.7 43.5 1.0
CE1 A:HIS205 4.7 36.9 1.0
HB3 A:GLU102 4.7 42.9 1.0
HG3 A:GLU69 4.7 48.7 1.0
ND1 A:HIS205 4.8 32.6 1.0
CD A:GLU167 4.8 38.9 1.0
HD12 A:LEU198 4.8 52.2 1.0
CB A:GLU102 4.8 35.7 1.0
CD2 A:LEU198 4.8 38.6 1.0
CB A:GLU69 4.9 39.4 1.0
HE2 A:HIS105 5.0 47.7 1.0

Reference:

Y.Kutin, R.Kositzki, R.M.M.Branca, V.Srinivas, D.Lundin, M.Haumann, M.Hogbom, N.Cox, J.J.Griese. Chemical Flexibility of Heterobimetallic Mn/Fe Cofactors: R2LOX and R2C Proteins. J.Biol.Chem. 2019.
ISSN: ESSN 1083-351X
PubMed: 31591267
DOI: 10.1074/JBC.RA119.010570
Page generated: Tue Dec 15 04:54:29 2020

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