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Iron in PDB 6i90: R2-Like Ligand-Binding Oxidase G68F Mutant with Aerobically Reconstituted Mn/Fe Cofactor

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

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

Protein crystallography data

The structure of R2-Like Ligand-Binding Oxidase G68F Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6i90 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) 39.22 / 1.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 56.073, 96.770, 128.704, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.3

Other elements in 6i90:

The structure of R2-Like Ligand-Binding Oxidase G68F Mutant with Aerobically Reconstituted Mn/Fe Cofactor also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the R2-Like Ligand-Binding Oxidase G68F Mutant with Aerobically Reconstituted Mn/Fe Cofactor (pdb code 6i90). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the R2-Like Ligand-Binding Oxidase G68F Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6i90:

Iron binding site 1 out of 1 in 6i90

Go back to Iron Binding Sites List in 6i90
Iron binding site 1 out of 1 in the R2-Like Ligand-Binding Oxidase G68F Mutant with Aerobically Reconstituted Mn/Fe Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R2-Like Ligand-Binding Oxidase G68F Mutant with Aerobically Reconstituted Mn/Fe Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:31.6
occ:1.00
 OE2 A:GLU167 2.0 30.3 1.0
O A:HOH527 2.0 37.4 1.0
OE1 A:GLU102 2.1 31.4 1.0
ND1 A:HIS205 2.2 30.8 1.0
OE2 A:GLU202 2.2 31.8 1.0
O2 A:PLM401 2.2 45.1 1.0
CE1 A:HIS205 3.0 29.8 1.0
CD A:GLU167 3.0 36.1 1.0
HG2 A:GLU167 3.0 38.5 1.0
HE1 A:HIS205 3.1 35.7 1.0
CD A:GLU102 3.1 32.4 1.0
CD A:GLU202 3.1 39.3 1.0
CG A:HIS205 3.3 25.2 1.0
C1 A:PLM401 3.3 47.1 1.0
OE1 A:GLU202 3.4 39.3 1.0
HB3 A:HIS205 3.5 35.9 1.0
OE2 A:GLU102 3.5 30.4 1.0
MN A:MN3402 3.5 30.5 1.0
HB2 A:HIS205 3.6 35.9 1.0
CG A:GLU167 3.6 32.1 1.0
CB A:HIS205 3.7 29.9 1.0
O1 A:PLM401 3.8 50.5 1.0
HE2 A:PHE98 3.9 44.8 1.0
HE2 A:TYR162 3.9 43.8 1.0
HA A:GLU202 3.9 38.5 1.0
OE1 A:GLU167 4.1 32.6 1.0
HE1 A:HIS105 4.1 36.2 1.0
HG21 A:VAL72 4.1 42.6 1.0
NE2 A:HIS205 4.2 28.7 1.0
HG3 A:GLU167 4.2 38.5 1.0
CE2 A:PHE98 4.2 37.4 1.0
HZ A:PHE98 4.3 35.9 1.0
HB3 A:GLU167 4.3 37.2 1.0
CD2 A:HIS205 4.3 29.7 1.0
CG A:GLU102 4.4 29.5 1.0
CZ A:PHE98 4.4 29.9 1.0
CG A:GLU202 4.5 34.6 1.0
HG2 A:GLU102 4.5 35.5 1.0
CB A:GLU167 4.6 31.0 1.0
H22 A:PLM401 4.6 42.8 1.0
HG3 A:GLU202 4.6 41.5 1.0
HG3 A:GLU102 4.7 35.5 1.0
C2 A:PLM401 4.7 35.7 1.0
CE1 A:HIS105 4.7 30.2 1.0
O A:HOH508 4.8 36.4 1.0
ND1 A:HIS105 4.8 30.3 1.0
CA A:GLU202 4.8 32.1 1.0
CE2 A:TYR162 4.8 36.5 1.0
HB2 A:GLU202 4.9 37.7 1.0
HH A:TYR175 4.9 45.4 1.0
CB A:GLU202 5.0 31.4 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 Aug 6 22:17:11 2024

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