Iron in PDB 1lga: Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms

The structure of Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms, PDB code: 1lga was solved by T.L.Poulos, S.L.Edwards, H.Wariishi, M.H.Gold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.03
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.700, 77.500, 100.000, 90.00, 101.00, 90.00
R / Rfree (%)	15 / n/a

The structure of Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Iron atom in the Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms (pdb code 1lga). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms, PDB code: 1lga:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe396 b:9.5 occ:1.00 FE A:HEM396 0.0 9.5 1.0 ND A:HEM396 2.0 6.3 1.0 NC A:HEM396 2.0 7.1 1.0 NA A:HEM396 2.0 7.0 1.0 NB A:HEM396 2.0 6.1 1.0 NE2 A:HIS176 2.1 4.0 1.0 O A:HOH471 2.7 10.9 1.0 C1C A:HEM396 3.0 2.5 1.0 C1D A:HEM396 3.0 9.3 1.0 C4D A:HEM396 3.0 5.5 1.0 C4C A:HEM396 3.0 5.7 1.0 C1A A:HEM396 3.0 7.2 1.0 C4B A:HEM396 3.0 2.5 1.0 C4A A:HEM396 3.0 7.1 1.0 C1B A:HEM396 3.1 2.8 1.0 CE1 A:HIS176 3.1 4.8 1.0 CD2 A:HIS176 3.1 7.4 1.0 CHC A:HEM396 3.4 2.8 1.0 CHD A:HEM396 3.4 5.8 1.0 CHA A:HEM396 3.4 3.9 1.0 CHB A:HEM396 3.4 6.2 1.0 C3D A:HEM396 4.2 6.6 1.0 C2C A:HEM396 4.2 5.8 1.0 C2D A:HEM396 4.2 7.2 1.0 C3C A:HEM396 4.2 6.6 1.0 C2A A:HEM396 4.2 7.2 1.0 C3A A:HEM396 4.3 7.7 1.0 C3B A:HEM396 4.3 4.5 1.0 ND1 A:HIS176 4.3 5.3 1.0 CG A:HIS176 4.3 5.6 1.0 C2B A:HEM396 4.3 3.9 1.0 O A:HOH454 4.6 6.3 1.0 CE2 A:PHE193 4.9 7.9 1.0

Iron binding site 2 out of 2 in the Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystallographic Refinement of Lignin Peroxidase at 2 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe396 b:7.6 occ:1.00 FE B:HEM396 0.0 7.6 1.0 NA B:HEM396 1.9 3.9 1.0 NB B:HEM396 2.0 6.5 1.0 ND B:HEM396 2.0 5.4 1.0 NC B:HEM396 2.0 3.0 1.0 NE2 B:HIS176 2.2 4.4 1.0 O B:HOH458 2.7 5.6 1.0 C1A B:HEM396 2.9 2.7 1.0 C4A B:HEM396 3.0 2.0 1.0 C4D B:HEM396 3.0 4.3 1.0 C4B B:HEM396 3.0 6.2 1.0 C1C B:HEM396 3.0 3.5 1.0 C1B B:HEM396 3.0 9.0 1.0 C1D B:HEM396 3.0 6.8 1.0 C4C B:HEM396 3.1 3.3 1.0 CE1 B:HIS176 3.1 4.8 1.0 CD2 B:HIS176 3.2 2.0 1.0 CHA B:HEM396 3.3 3.9 1.0 CHC B:HEM396 3.4 5.4 1.0 CHB B:HEM396 3.4 5.5 1.0 CHD B:HEM396 3.4 3.7 1.0 C2A B:HEM396 4.2 2.4 1.0 C3A B:HEM396 4.2 2.0 1.0 C3D B:HEM396 4.2 6.7 1.0 C3B B:HEM396 4.2 9.0 1.0 C2B B:HEM396 4.2 9.5 1.0 C2C B:HEM396 4.3 4.3 1.0 C2D B:HEM396 4.3 5.8 1.0 C3C B:HEM396 4.3 6.2 1.0 CG B:HIS176 4.3 2.0 1.0 ND1 B:HIS176 4.3 4.2 1.0 O B:HOH446 4.4 24.9 1.0 O B:HOH445 4.5 4.2 1.0

T.L.Poulos, S.L.Edwards, H.Wariishi, M.H.Gold. Crystallographic Refinement of Lignin Peroxidase at 2 A. J.Biol.Chem. V. 268 4429 1993.
ISSN: ISSN 0021-9258
PubMed: 8440725