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Manganese in PDB 6i95: R2-Like Ligand-Binding Oxidase G68L Mutant with Anaerobically Reconstituted Mn/Fe Cofactor

Enzymatic activity of R2-Like Ligand-Binding Oxidase G68L Mutant with Anaerobically Reconstituted Mn/Fe Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase G68L Mutant with Anaerobically Reconstituted Mn/Fe Cofactor:
1.17.4.1;

Protein crystallography data

The structure of R2-Like Ligand-Binding Oxidase G68L Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6i95 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) 48.80 / 1.65
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.958, 97.602, 127.528, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.4

Other elements in 6i95:

The structure of R2-Like Ligand-Binding Oxidase G68L 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 G68L Mutant with Anaerobically Reconstituted Mn/Fe Cofactor (pdb code 6i95). 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 G68L Mutant with Anaerobically Reconstituted Mn/Fe Cofactor, PDB code: 6i95:

Manganese binding site 1 out of 1 in 6i95

Go back to Manganese Binding Sites List in 6i95
Manganese binding site 1 out of 1 in the R2-Like Ligand-Binding Oxidase G68L 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 G68L Mutant with Anaerobically Reconstituted Mn/Fe Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:26.9
occ:1.00
 OE1 A:GLU102 2.1 25.2 1.0
OE1 A:GLU69 2.1 27.4 1.0
ND1 A:HIS105 2.1 25.4 1.0
O A:HOH502 2.2 43.5 1.0
OE2 A:GLU202 2.3 29.1 1.0
CE1 A:HIS105 3.0 26.4 1.0
HE1 A:HIS105 3.0 31.6 1.0
CD A:GLU69 3.1 31.8 1.0
CD A:GLU102 3.1 26.9 1.0
CG A:HIS105 3.2 23.7 1.0
CD A:GLU202 3.3 28.5 1.0
OE2 A:GLU69 3.3 32.5 1.0
HB2 A:HIS105 3.5 29.9 1.0
OE2 A:GLU102 3.6 28.2 1.0
HB3 A:HIS105 3.6 29.9 1.0
HA A:GLU102 3.6 29.1 1.0
FE A:FE2402 3.7 27.9 1.0
HG21 A:VAL72 3.7 33.5 1.0
CB A:HIS105 3.7 24.9 1.0
OE1 A:GLU167 3.7 33.0 1.0
HG A:LEU198 3.8 44.6 1.0
HG3 A:GLU202 4.0 34.0 1.0
HG2 A:GLU202 4.1 34.0 1.0
CG A:GLU202 4.1 28.3 1.0
HD21 A:LEU198 4.1 48.4 1.0
NE2 A:HIS105 4.1 27.1 1.0
OE1 A:GLU202 4.2 27.1 1.0
HE1 A:HIS205 4.3 31.0 1.0
CD2 A:HIS105 4.3 27.5 1.0
HD11 A:LEU198 4.3 37.5 1.0
HG23 A:VAL72 4.4 33.5 1.0
HA A:GLU69 4.4 30.9 1.0
CG2 A:VAL72 4.4 27.9 1.0
CG A:GLU69 4.5 27.2 1.0
CG A:GLU102 4.5 25.0 1.0
CG A:LEU198 4.5 37.2 1.0
CA A:GLU102 4.5 24.2 1.0
OH A:TYR175 4.6 40.7 0.5
HB3 A:GLU69 4.6 32.2 1.0
HB3 A:GLU102 4.6 29.8 1.0
HG22 A:VAL72 4.7 33.5 1.0
CD2 A:LEU198 4.7 40.3 1.0
HH A:TYR175 4.8 48.8 0.5
CB A:GLU102 4.8 24.8 1.0
HG3 A:GLU69 4.8 32.7 1.0
HD23 A:LEU68 4.8 37.5 1.0
CE1 A:HIS205 4.8 25.8 1.0
HD23 A:LEU198 4.9 48.4 1.0
CD1 A:LEU198 4.9 31.2 1.0
HE2 A:HIS105 4.9 32.5 1.0
HD22 A:LEU68 4.9 37.5 1.0
ND1 A:HIS205 4.9 27.3 1.0
CB A:GLU69 4.9 26.8 1.0
CD A:GLU167 4.9 27.4 1.0
HG2 A:GLU102 5.0 30.0 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: Sun Oct 6 04:52:56 2024

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