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Iron in PDB 5ikd: Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase

Enzymatic activity of Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase

All present enzymatic activity of Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase:
1.11.1.19;

Protein crystallography data

The structure of Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase, PDB code: 5ikd was solved by A.Romero, I.Davo-Siguero, A.T.Martinez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.26 / 1.11
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 104.928, 56.065, 82.709, 90.00, 97.03, 90.00
R / Rfree (%) 15 / 15.8

Iron Binding Sites:

The binding sites of Iron atom in the Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase (pdb code 5ikd). 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 Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase, PDB code: 5ikd:

Iron binding site 1 out of 1 in 5ikd

Go back to Iron Binding Sites List in 5ikd
Iron binding site 1 out of 1 in the Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye- Decolorizing Peroxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:5.7
occ:1.00
 FE A:HEM501 0.0 5.7 1.0
NB A:HEM501 2.0 8.6 1.0
ND A:HEM501 2.0 6.3 1.0
NA A:HEM501 2.1 6.6 1.0
NC A:HEM501 2.1 6.2 1.0
NE2 A:HIS304 2.1 5.9 1.0
C1B A:HEM501 3.0 8.4 1.0
C4D A:HEM501 3.0 6.5 1.0
C1D A:HEM501 3.1 5.9 1.0
O A:HOH918 3.1 34.6 1.0
CE1 A:HIS304 3.1 6.0 1.0
C1A A:HEM501 3.1 6.6 1.0
C4B A:HEM501 3.1 6.9 1.0
C4C A:HEM501 3.1 6.1 1.0
C4A A:HEM501 3.1 7.5 1.0
C1C A:HEM501 3.1 7.0 1.0
CD2 A:HIS304 3.1 5.7 1.0
HE1 A:HIS304 3.2 7.2 1.0
HD2 A:HIS304 3.3 6.8 1.0
CHA A:HEM501 3.4 5.8 1.0
CHD A:HEM501 3.4 6.1 1.0
CHB A:HEM501 3.5 8.4 1.0
CHC A:HEM501 3.5 7.6 1.0
HH11 A:ARG332 3.8 9.5 1.0
ND1 A:HIS304 4.2 6.3 1.0
CG A:HIS304 4.3 5.7 1.0
NH1 A:ARG332 4.3 7.9 1.0
C2D A:HEM501 4.3 6.3 1.0
C3D A:HEM501 4.3 6.2 1.0
C3B A:HEM501 4.3 7.3 1.0
C2B A:HEM501 4.3 8.4 1.0
C2A A:HEM501 4.3 6.6 1.0
C3A A:HEM501 4.3 7.5 1.0
C3C A:HEM501 4.3 6.9 1.0
C2C A:HEM501 4.3 7.1 1.0
HD2 A:ARG332 4.4 9.9 1.0
HHB A:HEM501 4.4 10.1 1.0
HHA A:HEM501 4.4 6.9 1.0
HHD A:HEM501 4.4 7.3 1.0
HH12 A:ARG332 4.4 9.5 1.0
HHC A:HEM501 4.4 9.2 1.0
HG1 A:THR308 4.5 9.7 1.0
HG21 A:THR308 4.6 10.6 1.0
O A:HOH1032 4.6 31.3 1.0
HD3 A:ARG332 4.7 9.9 1.0
HG21 A:ILE398 4.7 11.0 1.0
CD A:ARG332 4.9 8.2 1.0
HD1 A:HIS304 5.0 7.6 1.0

Reference:

D.Linde, M.Canellas, I.Davo-Siguero, A.Romero, F.Lucas, F.J.Ruiz-Duenas, V.Guallar, A.T.Martinez. Asymmetric Sulfoxidation By Engineering the Heme Pocket of A Dye-Decolorizing Peroxidase Catalysis Science and 2016TECHNOLOGY.
ISSN: ESSN 2044-4761
DOI: 10.1039/C6CY00539J
Page generated: Tue Aug 6 02:14:40 2024

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