Iron in PDB 4g2c: DYP2 From Amycolatopsis Sp. Atcc 39116

The structure of DYP2 From Amycolatopsis Sp. Atcc 39116, PDB code: 4g2c was solved by M.E.Brown, T.Barros, M.C.Y.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.04 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.131, 77.952, 252.353, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 24.3

The structure of DYP2 From Amycolatopsis Sp. Atcc 39116 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Iron atom in the DYP2 From Amycolatopsis Sp. Atcc 39116 (pdb code 4g2c). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the DYP2 From Amycolatopsis Sp. Atcc 39116, PDB code: 4g2c:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the DYP2 From Amycolatopsis Sp. Atcc 39116


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of DYP2 From Amycolatopsis Sp. Atcc 39116 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:20.0 occ:1.00 FE A:HEM501 0.0 20.0 1.0 NB A:HEM501 2.0 24.8 1.0 NA A:HEM501 2.0 16.5 1.0 NC A:HEM501 2.1 20.4 1.0 NE2 A:HIS323 2.1 18.7 1.0 ND A:HEM501 2.1 20.4 1.0 C4A A:HEM501 3.0 21.4 1.0 C1B A:HEM501 3.0 22.8 1.0 C4B A:HEM501 3.1 21.1 1.0 C1A A:HEM501 3.1 21.2 1.0 CE1 A:HIS323 3.1 18.1 1.0 C1C A:HEM501 3.1 23.7 1.0 C4C A:HEM501 3.1 19.7 1.0 C1D A:HEM501 3.1 23.0 1.0 C4D A:HEM501 3.1 22.2 1.0 CD2 A:HIS323 3.1 18.2 1.0 CHB A:HEM501 3.3 20.7 1.0 CHC A:HEM501 3.5 21.5 1.0 CHD A:HEM501 3.5 18.7 1.0 O A:HOH831 3.5 30.0 1.0 CHA A:HEM501 3.5 22.1 1.0 NH1 A:ARG348 4.2 22.9 1.0 ND1 A:HIS323 4.2 17.4 1.0 C3A A:HEM501 4.2 19.6 1.0 C2B A:HEM501 4.2 22.4 1.0 C3B A:HEM501 4.2 22.8 1.0 CG A:HIS323 4.3 21.7 1.0 C2A A:HEM501 4.3 21.7 1.0 C3C A:HEM501 4.3 20.7 1.0 C2C A:HEM501 4.3 24.3 1.0 C3D A:HEM501 4.4 24.6 1.0 C2D A:HEM501 4.4 22.9 1.0 CD A:ARG348 5.0 23.2 1.0

Iron binding site 2 out of 2 in the DYP2 From Amycolatopsis Sp. Atcc 39116


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of DYP2 From Amycolatopsis Sp. Atcc 39116 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:27.5 occ:1.00 FE B:HEM501 0.0 27.5 1.0 NB B:HEM501 2.0 29.9 1.0 ND B:HEM501 2.1 28.1 1.0 NA B:HEM501 2.1 30.6 1.0 NC B:HEM501 2.1 32.9 1.0 NE2 B:HIS323 2.1 27.6 1.0 C4B B:HEM501 3.0 29.5 1.0 C4D B:HEM501 3.0 28.4 1.0 CD2 B:HIS323 3.0 25.9 1.0 C1A B:HEM501 3.1 27.2 1.0 C1B B:HEM501 3.1 31.2 1.0 C1C B:HEM501 3.1 28.3 1.0 C4A B:HEM501 3.1 30.3 1.0 C1D B:HEM501 3.1 31.5 1.0 C4C B:HEM501 3.1 26.4 1.0 CE1 B:HIS323 3.2 29.7 1.0 O B:HOH770 3.2 30.0 1.0 CHC B:HEM501 3.4 26.8 1.0 CHA B:HEM501 3.4 30.8 1.0 CHB B:HEM501 3.5 27.6 1.0 CHD B:HEM501 3.5 30.4 1.0 NH1 B:ARG348 4.2 26.7 1.0 CG B:HIS323 4.2 29.2 1.0 C3B B:HEM501 4.2 29.4 1.0 ND1 B:HIS323 4.2 28.6 1.0 C2B B:HEM501 4.3 29.1 1.0 C3D B:HEM501 4.3 31.1 1.0 C2A B:HEM501 4.3 31.4 1.0 C2C B:HEM501 4.3 26.7 1.0 C3A B:HEM501 4.3 28.7 1.0 C2D B:HEM501 4.3 27.1 1.0 C3C B:HEM501 4.3 23.5 1.0 CZ B:ARG348 4.9 26.2 1.0 CD B:ARG348 4.9 30.4 1.0

M.E.Brown, T.Barros, M.C.Chang. Identification and Characterization of A Multifunctional Dye Peroxidase From A Lignin-Reactive Bacterium. Acs Chem.Biol. V. 7 2074 2012.
ISSN: ISSN 1554-8929
PubMed: 23054399
DOI: 10.1021/CB300383Y