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Manganese in PDB 4hr4: R2-Like Ligand-Binding Oxidase with Anaerobically Reconstituted Metal Cofactor

Enzymatic activity of R2-Like Ligand-Binding Oxidase with Anaerobically Reconstituted Metal Cofactor

All present enzymatic activity of R2-Like Ligand-Binding Oxidase with Anaerobically Reconstituted Metal Cofactor:
1.17.4.1;

Protein crystallography data

The structure of R2-Like Ligand-Binding Oxidase with Anaerobically Reconstituted Metal Cofactor, PDB code: 4hr4 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) 48.85 / 1.90
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.928, 97.709, 128.132, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.5

Other elements in 4hr4:

The structure of R2-Like Ligand-Binding Oxidase with Anaerobically Reconstituted Metal 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 with Anaerobically Reconstituted Metal Cofactor (pdb code 4hr4). 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 with Anaerobically Reconstituted Metal Cofactor, PDB code: 4hr4:

Manganese binding site 1 out of 1 in 4hr4

Go back to Manganese Binding Sites List in 4hr4
Manganese binding site 1 out of 1 in the R2-Like Ligand-Binding Oxidase with Anaerobically Reconstituted Metal 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 with Anaerobically Reconstituted Metal Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:30.9
occ:1.00
 O2 A:PLM404 1.7 48.6 1.0
O A:HOH567 2.0 48.5 1.0
OE2 A:GLU102 2.1 28.4 1.0
ND1 A:HIS105 2.1 27.0 1.0
OE2 A:GLU69 2.2 27.3 1.0
OE1 A:GLU202 2.3 32.3 1.0
C1 A:PLM404 2.9 48.7 1.0
CE1 A:HIS105 3.0 33.1 1.0
HE1 A:HIS105 3.1 39.7 1.0
CD A:GLU69 3.1 36.0 1.0
CG A:HIS105 3.2 28.7 1.0
CD A:GLU102 3.2 29.3 1.0
OE1 A:GLU69 3.3 40.5 1.0
CD A:GLU202 3.4 38.4 1.0
HB2 A:HIS105 3.4 35.8 1.0
O1 A:PLM404 3.4 31.6 1.0
HA A:GLU102 3.6 34.6 1.0
HB3 A:HIS105 3.6 35.8 1.0
FE A:FE2402 3.6 33.9 1.0
CB A:HIS105 3.6 29.8 1.0
OE1 A:GLU102 3.7 31.5 1.0
H31 A:PLM404 3.7 53.6 1.0
HG21 A:VAL72 3.7 33.0 1.0
H32 A:PLM404 3.9 53.6 1.0
HG A:LEU198 4.0 43.2 1.0
C2 A:PLM404 4.0 57.2 1.0
HG2 A:GLU202 4.1 45.1 1.0
HE1 A:HIS205 4.1 37.4 1.0
NE2 A:HIS105 4.1 33.1 1.0
CG A:GLU202 4.2 37.6 1.0
C3 A:PLM404 4.2 44.6 1.0
HG3 A:GLU202 4.2 45.1 1.0
OE2 A:GLU202 4.2 33.0 1.0
HD11 A:LEU198 4.2 47.7 1.0
CD2 A:HIS105 4.3 31.2 1.0
HD21 A:LEU198 4.3 50.5 1.0
HA A:GLU69 4.3 38.6 1.0
HG23 A:VAL72 4.3 33.0 1.0
CG2 A:VAL72 4.4 27.5 1.0
CG A:GLU69 4.5 32.3 1.0
CA A:GLU102 4.5 28.9 1.0
CG A:GLU102 4.6 32.9 1.0
HB3 A:GLU69 4.6 35.4 1.0
H21 A:PLM404 4.6 68.6 1.0
HH A:TYR175 4.6 66.1 1.0
HB3 A:GLU102 4.7 35.9 1.0
HG22 A:VAL72 4.7 33.0 1.0
CG A:LEU198 4.7 36.0 1.0
CE1 A:HIS205 4.7 31.1 1.0
OH A:TYR175 4.7 55.1 1.0
CB A:GLU102 4.8 29.9 1.0
ND1 A:HIS205 4.8 31.5 1.0
HG3 A:GLU69 4.8 38.7 1.0
H22 A:PLM404 4.8 68.6 1.0
CD1 A:LEU198 4.9 39.7 1.0
HE2 A:HIS105 4.9 39.7 1.0
CD2 A:LEU198 4.9 42.1 1.0
CB A:GLU69 4.9 29.5 1.0

Reference:

J.J.Griese, K.Roos, N.Cox, H.S.Shafaat, R.M.M.Branca, J.Lehtio, A.Graslund, W.Lubitz, P.E.M.Siegbahn, M.Hogbom. Direct Observation of Structurally Encoded Metal Discrimination and Ether Bond Formation in A Heterodinuclear Metalloprotein Proc.Natl.Acad.Sci.Usa V. 110 17189 2013.
ISSN: ISSN 0027-8424
PubMed: 24101498
DOI: 10.1073/PNAS.1304368110
Page generated: Sat Oct 5 19:43:44 2024

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