Iron in PDB 6iss: Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239

All present enzymatic activity of Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239:
1.11.1.14;

The structure of Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239, PDB code: 6iss was solved by H.Seo, H.Son, K.-J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.49 / 1.53
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	72.959, 93.740, 227.371, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.6

The structure of Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239 also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Iron atom in the Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239 (pdb code 6iss). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239, PDB code: 6iss:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:10.9 occ:1.00 FE A:HEM401 0.0 10.9 1.0 ND A:HEM401 1.9 11.3 1.0 NC A:HEM401 2.0 9.7 1.0 NA A:HEM401 2.0 11.2 1.0 NB A:HEM401 2.1 11.5 1.0 NE2 A:HIS176 2.1 10.4 1.0 O A:HOH632 2.3 23.3 1.0 C1D A:HEM401 3.0 10.7 1.0 C4D A:HEM401 3.0 11.1 1.0 C1B A:HEM401 3.0 11.9 1.0 C4C A:HEM401 3.0 11.6 1.0 C4A A:HEM401 3.1 12.4 1.0 C1C A:HEM401 3.1 11.2 1.0 C4B A:HEM401 3.1 12.2 1.0 C1A A:HEM401 3.1 12.9 1.0 CE1 A:HIS176 3.1 9.3 1.0 CD2 A:HIS176 3.1 9.3 1.0 CHB A:HEM401 3.4 12.0 1.0 CHD A:HEM401 3.4 10.5 1.0 CHA A:HEM401 3.5 12.0 1.0 CHC A:HEM401 3.5 12.1 1.0 C3D A:HEM401 4.2 10.7 1.0 C2D A:HEM401 4.2 10.2 1.0 C2C A:HEM401 4.2 11.0 1.0 O A:HOH731 4.2 17.7 1.0 ND1 A:HIS176 4.3 9.6 1.0 C3A A:HEM401 4.3 11.7 1.0 C2B A:HEM401 4.3 12.5 1.0 CG A:HIS176 4.3 9.7 1.0 C3C A:HEM401 4.3 11.9 1.0 C2A A:HEM401 4.3 12.4 1.0 C3B A:HEM401 4.3 12.0 1.0 O A:HOH735 4.4 33.1 1.0 CE2 A:PHE193 4.9 12.9 1.0

Iron binding site 2 out of 2 in the Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Lignin Peroxidase H8 Triple Mutant S49C/A67C/H239 within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe401 b:11.0 occ:1.00 FE G:HEM401 0.0 11.0 1.0 ND G:HEM401 1.9 11.2 1.0 NA G:HEM401 2.0 10.8 1.0 NB G:HEM401 2.1 11.3 1.0 NC G:HEM401 2.1 11.5 1.0 NE2 G:HIS176 2.1 9.5 1.0 O G:HOH668 2.2 20.1 1.0 C1D G:HEM401 2.9 10.7 1.0 C4D G:HEM401 3.0 9.4 1.0 C4B G:HEM401 3.0 11.3 1.0 C1B G:HEM401 3.0 11.5 1.0 C4A G:HEM401 3.1 11.6 1.0 C1C G:HEM401 3.1 12.8 1.0 C4C G:HEM401 3.1 11.8 1.0 C1A G:HEM401 3.1 10.7 1.0 CE1 G:HIS176 3.1 9.3 1.0 CD2 G:HIS176 3.2 8.9 1.0 CHD G:HEM401 3.4 10.3 1.0 CHC G:HEM401 3.4 11.7 1.0 CHB G:HEM401 3.4 12.1 1.0 CHA G:HEM401 3.4 10.3 1.0 C2D G:HEM401 4.2 9.3 1.0 C3D G:HEM401 4.2 9.8 1.0 ND1 G:HIS176 4.2 8.8 1.0 C2C G:HEM401 4.3 12.0 1.0 C2B G:HEM401 4.3 12.1 1.0 C3A G:HEM401 4.3 11.4 1.0 C3B G:HEM401 4.3 11.2 1.0 C2A G:HEM401 4.3 10.7 1.0 CG G:HIS176 4.3 8.6 1.0 C3C G:HEM401 4.3 11.5 1.0 O G:HOH729 4.4 18.0 1.0 CE2 G:PHE193 4.9 10.3 1.0

H.Son, H.Seo, L.T.M.Pham, S.H.Kang, K.-J.Kim, Y.H.Kim. Reinforced Helix-Loop Interaction of Lignin Peroxidase H8 of Phanerochaete Chrysosporium (LIPH8) For Improving Acid-pH Stability As Well As Thermostability To Be Published.