Iron in PDB 4gs1: Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica

All present enzymatic activity of Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica:
1.11.1.19;

The structure of Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica, PDB code: 4gs1 was solved by T.Lukk, A.M.A.Hetta, A.Jones, J.Solbiati, S.Majumdar, J.E.Cronan, J.A.Gerlt, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.680, 91.190, 110.550, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 17.4

The binding sites of Iron atom in the Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica (pdb code 4gs1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica, PDB code: 4gs1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:14.8 occ:1.00 FE A:HEM501 0.0 14.8 1.0 NA A:HEM501 2.0 14.7 1.0 NB A:HEM501 2.0 13.0 1.0 NC A:HEM501 2.1 18.2 1.0 ND A:HEM501 2.1 13.5 1.0 NE2 A:HIS336 2.2 13.8 1.0 O2 A:OXY502 2.4 24.1 1.0 C4A A:HEM501 3.0 15.2 1.0 C1B A:HEM501 3.1 12.6 1.0 C1A A:HEM501 3.1 15.7 1.0 C1D A:HEM501 3.1 13.9 1.0 C4C A:HEM501 3.1 14.6 1.0 C4B A:HEM501 3.1 13.8 1.0 C1C A:HEM501 3.1 14.3 1.0 C4D A:HEM501 3.1 16.2 1.0 CD2 A:HIS336 3.1 16.4 1.0 CE1 A:HIS336 3.2 15.9 1.0 CHB A:HEM501 3.4 14.5 1.0 CHD A:HEM501 3.4 14.3 1.0 CHC A:HEM501 3.5 14.7 1.0 CHA A:HEM501 3.5 15.4 1.0 O1 A:OXY502 3.8 23.2 1.0 NH1 A:ARG352 4.1 15.9 1.0 C3A A:HEM501 4.3 14.4 1.0 C2A A:HEM501 4.3 14.9 1.0 C2B A:HEM501 4.3 13.6 1.0 CG A:HIS336 4.3 15.1 1.0 ND1 A:HIS336 4.3 12.9 1.0 C3B A:HEM501 4.3 11.8 1.0 C2C A:HEM501 4.3 14.6 1.0 C2D A:HEM501 4.3 14.8 1.0 C3C A:HEM501 4.3 15.0 1.0 C3D A:HEM501 4.3 13.7 1.0 CD A:ARG352 4.5 16.1 1.0 CZ A:ARG352 4.8 18.2 1.0 NE A:ARG352 5.0 15.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Dyp-Type Peroxidase From Thermobifida Cellulosilytica within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:13.7 occ:1.00 FE B:HEM501 0.0 13.7 1.0 NA B:HEM501 2.0 12.9 1.0 NC B:HEM501 2.0 13.7 1.0 ND B:HEM501 2.0 12.0 1.0 NB B:HEM501 2.1 12.8 1.0 NE2 B:HIS336 2.2 12.9 1.0 O1 B:OXY502 2.4 21.7 1.0 C1D B:HEM501 3.0 12.6 1.0 C4C B:HEM501 3.0 16.7 1.0 C4D B:HEM501 3.1 14.6 1.0 C1A B:HEM501 3.1 12.0 1.0 C4A B:HEM501 3.1 12.1 1.0 C1C B:HEM501 3.1 13.6 1.0 C1B B:HEM501 3.1 14.5 1.0 C4B B:HEM501 3.1 13.9 1.0 CD2 B:HIS336 3.1 12.8 1.0 CE1 B:HIS336 3.2 13.8 1.0 CHD B:HEM501 3.4 13.8 1.0 CHA B:HEM501 3.4 13.2 1.0 CHB B:HEM501 3.4 14.9 1.0 CHC B:HEM501 3.5 14.0 1.0 O2 B:OXY502 3.8 20.4 1.0 NH1 B:ARG352 4.1 13.2 1.0 C3A B:HEM501 4.3 10.7 1.0 CG B:HIS336 4.3 9.6 1.0 C2D B:HEM501 4.3 13.8 1.0 C2A B:HEM501 4.3 11.8 1.0 C3C B:HEM501 4.3 14.5 1.0 ND1 B:HIS336 4.3 11.7 1.0 C3D B:HEM501 4.3 12.3 1.0 C2C B:HEM501 4.3 12.7 1.0 C2B B:HEM501 4.3 13.2 1.0 C3B B:HEM501 4.3 12.6 1.0 CD B:ARG352 4.6 13.7 1.0 CZ B:ARG352 4.9 13.9 1.0

T.Lukk, A.M.A.Hetta, A.Jones, J.Solbiati, S.Majumdar, J.E.Cronan, J.A.Gerlt, S.K.Nair. Dyp-Type Peroxidases From Stretptomyces and Thermobifida Can Modify Organosolv Lignin. To Be Published.