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Iron in PDB 4aan: Maca Wild-Type Fully Reduced

Enzymatic activity of Maca Wild-Type Fully Reduced

All present enzymatic activity of Maca Wild-Type Fully Reduced:
1.11.1.5;

Protein crystallography data

The structure of Maca Wild-Type Fully Reduced, PDB code: 4aan was solved by J.Seidel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 77.92 / 1.22
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 95.600, 46.970, 77.930, 90.00, 90.94, 90.00
R / Rfree (%) 14.69 / 16.624

Other elements in 4aan:

The structure of Maca Wild-Type Fully Reduced also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Maca Wild-Type Fully Reduced (pdb code 4aan). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Maca Wild-Type Fully Reduced, PDB code: 4aan:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4aan

Go back to Iron Binding Sites List in 4aan
Iron binding site 1 out of 2 in the Maca Wild-Type Fully Reduced


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Maca Wild-Type Fully Reduced within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe400

b:5.8
occ:1.00
FE A:HEC400 0.0 5.8 1.0
ND A:HEC400 2.0 6.1 1.0
NA A:HEC400 2.0 5.9 1.0
NC A:HEC400 2.0 5.8 1.0
NE2 A:HIS77 2.0 5.8 1.0
NB A:HEC400 2.0 5.4 1.0
O A:HOH2154 2.1 11.8 1.0
C1D A:HEC400 3.0 6.5 1.0
C4D A:HEC400 3.0 6.0 1.0
CE1 A:HIS77 3.0 6.2 1.0
C4A A:HEC400 3.0 6.4 1.0
C1B A:HEC400 3.0 5.4 1.0
CD2 A:HIS77 3.0 5.4 1.0
C1A A:HEC400 3.0 6.7 1.0
C1C A:HEC400 3.0 5.7 1.0
C4C A:HEC400 3.0 5.8 1.0
C4B A:HEC400 3.0 5.3 1.0
CHD A:HEC400 3.3 6.7 1.0
CHA A:HEC400 3.4 6.5 1.0
CHB A:HEC400 3.4 6.2 1.0
CHC A:HEC400 3.4 5.7 1.0
NE2 A:GLN126 4.0 8.0 1.0
O A:HOH2161 4.1 15.8 1.0
ND1 A:HIS77 4.1 6.3 1.0
CG A:HIS77 4.2 5.4 1.0
C3D A:HEC400 4.2 6.5 1.0
C2A A:HEC400 4.2 6.1 1.0
C2D A:HEC400 4.2 7.1 1.0
C2C A:HEC400 4.2 5.8 1.0
C3A A:HEC400 4.2 5.9 1.0
C3C A:HEC400 4.3 6.1 1.0
C3B A:HEC400 4.3 6.2 1.0
C2B A:HEC400 4.3 6.0 1.0
CG A:PRO130 4.5 11.0 1.0
CB A:PRO130 4.6 9.1 1.0

Iron binding site 2 out of 2 in 4aan

Go back to Iron Binding Sites List in 4aan
Iron binding site 2 out of 2 in the Maca Wild-Type Fully Reduced


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Maca Wild-Type Fully Reduced within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:6.7
occ:1.00
FE A:HEC401 0.0 6.7 1.0
ND A:HEC401 2.0 6.3 1.0
NA A:HEC401 2.0 6.4 1.0
NC A:HEC401 2.0 6.6 1.0
NE2 A:HIS223 2.1 6.6 1.0
NB A:HEC401 2.1 7.1 1.0
SD A:MET297 2.3 7.2 0.8
C4A A:HEC401 3.0 6.7 1.0
CE1 A:HIS223 3.0 6.5 1.0
C1D A:HEC401 3.0 7.2 1.0
C4D A:HEC401 3.0 6.9 1.0
C1A A:HEC401 3.0 6.2 1.0
C4C A:HEC401 3.1 7.2 1.0
C4B A:HEC401 3.1 6.8 1.0
C1C A:HEC401 3.1 6.9 1.0
C1B A:HEC401 3.1 7.0 1.0
CD2 A:HIS223 3.1 7.3 1.0
CG A:MET297 3.4 7.2 0.8
CHC A:HEC401 3.4 6.8 1.0
CHA A:HEC401 3.4 6.4 1.0
CHB A:HEC401 3.4 7.0 1.0
CHD A:HEC401 3.4 7.0 1.0
CE A:MET297 3.4 7.6 0.8
CE A:MET297 3.7 7.2 0.2
CG A:MET297 3.9 7.1 0.2
CB A:MET297 4.1 7.9 0.2
ND1 A:HIS223 4.2 7.2 1.0
CG A:HIS223 4.2 7.1 1.0
C3C A:HEC401 4.2 7.7 1.0
C3A A:HEC401 4.2 6.7 1.0
C3D A:HEC401 4.3 6.9 1.0
C2A A:HEC401 4.3 6.3 1.0
C2C A:HEC401 4.3 7.5 1.0
C2D A:HEC401 4.3 7.2 1.0
C3B A:HEC401 4.3 7.5 1.0
C2B A:HEC401 4.3 7.2 1.0
CB A:MET297 4.3 7.8 0.8
SD A:MET297 4.7 7.8 0.2
CG A:GLN301 5.0 8.3 1.0

Reference:

J.Seidel, M.Hoffmann, K.E.Ellis, A.Seidel, T.Spatzal, S.Gerhardt, S.J.Elliott, O.Einsle. Maca Is A Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Biochemistry V. 51 2747 2012.
ISSN: ISSN 0006-2960
PubMed: 22417533
DOI: 10.1021/BI300249U
Page generated: Sun Dec 13 15:27:54 2020

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