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Iron in PDB 6f6f: R2-Like Ligand-Binding Oxidase V72I Mutant with Aerobically Reconstituted Mn/Fe Cofactor

Enzymatic activity of R2-Like Ligand-Binding Oxidase V72I Mutant with Aerobically Reconstituted Mn/Fe Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase V72I Mutant with Aerobically Reconstituted Mn/Fe Cofactor:
1.17.4.1;

Protein crystallography data

The structure of R2-Like Ligand-Binding Oxidase V72I Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6f6f 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) 48.09 / 1.79
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.583, 95.899, 127.877, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 20.6

Other elements in 6f6f:

The structure of R2-Like Ligand-Binding Oxidase V72I 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 V72I Mutant with Aerobically Reconstituted Mn/Fe Cofactor (pdb code 6f6f). 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 V72I Mutant with Aerobically Reconstituted Mn/Fe Cofactor, PDB code: 6f6f:

Iron binding site 1 out of 1 in 6f6f

Go back to Iron Binding Sites List in 6f6f
Iron binding site 1 out of 1 in the R2-Like Ligand-Binding Oxidase V72I 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 V72I Mutant with Aerobically Reconstituted Mn/Fe Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:38.6
occ:1.00
 OE2 A:GLU167 2.0 41.7 1.0
O A:HOH512 2.0 44.3 1.0
O2 A:PLM401 2.0 51.3 1.0
OE1 A:GLU102 2.1 36.7 1.0
ND1 A:HIS205 2.1 35.6 1.0
OE2 A:GLU202 2.2 38.0 1.0
CD A:GLU167 3.0 44.9 1.0
HG2 A:GLU167 3.0 46.2 1.0
CE1 A:HIS205 3.0 34.2 1.0
CD A:GLU102 3.1 39.0 1.0
HE1 A:HIS205 3.1 41.1 1.0
CD A:GLU202 3.1 42.9 1.0
C1 A:PLM401 3.2 52.7 1.0
CG A:HIS205 3.2 29.8 1.0
OE1 A:GLU202 3.5 44.5 1.0
HB3 A:HIS205 3.5 37.1 1.0
MN A:MN3402 3.5 37.9 1.0
HB2 A:HIS205 3.5 37.1 1.0
OE2 A:GLU102 3.5 37.0 1.0
CG A:GLU167 3.5 38.5 1.0
CB A:HIS205 3.6 30.9 1.0
HE2 A:PHE98 3.7 50.7 1.0
O1 A:PLM401 3.7 51.8 1.0
HA A:GLU202 3.8 43.3 1.0
HE1 A:HIS105 3.9 40.2 1.0
OE1 A:GLU167 4.0 42.4 1.0
CE2 A:PHE98 4.1 42.2 1.0
NE2 A:HIS205 4.2 33.9 1.0
HG3 A:GLU167 4.2 46.2 1.0
HB3 A:GLU167 4.2 45.9 1.0
CD2 A:HIS205 4.3 33.7 1.0
CG A:GLU102 4.4 30.9 1.0
HZ A:PHE98 4.4 46.5 1.0
CG A:GLU202 4.5 42.7 1.0
HG2 A:GLU102 4.5 37.1 1.0
H22 A:PLM401 4.5 54.8 1.0
C2 A:PLM401 4.5 45.7 1.0
CB A:GLU167 4.5 38.3 1.0
CZ A:PHE98 4.6 38.8 1.0
HG3 A:GLU202 4.6 51.3 1.0
CE1 A:HIS105 4.6 33.5 1.0
HG3 A:GLU102 4.7 37.1 1.0
CA A:GLU202 4.7 36.0 1.0
ND1 A:HIS105 4.7 31.9 1.0
O A:HOH502 4.8 45.0 1.0
CD1 A:ILE72 4.8 55.1 1.0
H21 A:PLM401 4.8 54.8 1.0
HH A:TYR175 4.9 51.3 1.0
CD2 A:PHE98 4.9 38.6 1.0
HE2 A:HIS205 4.9 40.7 1.0
HB2 A:GLU202 4.9 47.2 1.0
CB A:GLU202 5.0 39.3 1.0
CG2 A:ILE72 5.0 47.2 1.0

Reference:

J.J.Griese, R.M.M.Branca, V.Srinivas, M.Hogbom. Ether Cross-Link Formation in the R2-Like Ligand-Binding Oxidase. J. Biol. Inorg. Chem. V. 23 879 2018.
ISSN: ESSN 1432-1327
PubMed: 29946980
DOI: 10.1007/S00775-018-1583-3
Page generated: Tue Aug 6 18:03:42 2024

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