Iron in PDB 5jxu: Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase.

The structure of Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase., PDB code: 5jxu was solved by K.X.Ramyar, E.A.Carlson, P.Li, B.V.Geisbrecht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.91 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.296, 92.319, 97.187, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 22.5

The binding sites of Iron atom in the Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase. (pdb code 5jxu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase., PDB code: 5jxu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:27.4 occ:1.00 FE A:HEM501 0.0 27.4 1.0 NA A:HEM501 2.0 27.5 1.0 ND A:HEM501 2.0 27.6 1.0 NC A:HEM501 2.1 27.5 1.0 NB A:HEM501 2.1 27.4 1.0 NE2 A:HIS312 2.1 21.8 0.9 CE1 A:HIS312 3.1 32.6 1.0 C1A A:HEM501 3.1 27.6 1.0 C1D A:HEM501 3.1 27.6 1.0 C4A A:HEM501 3.1 27.5 1.0 C4D A:HEM501 3.1 27.6 1.0 C1C A:HEM501 3.1 27.5 1.0 C4B A:HEM501 3.1 27.5 1.0 C4C A:HEM501 3.1 27.5 1.0 CD2 A:HIS312 3.1 30.0 0.8 C1B A:HEM501 3.1 27.5 1.0 CHA A:HEM501 3.4 27.6 1.0 CHC A:HEM501 3.4 27.5 1.0 CHD A:HEM501 3.4 27.6 1.0 CHB A:HEM501 3.5 27.5 1.0 NH1 A:ARG327 4.1 28.9 1.0 ND1 A:HIS312 4.2 27.8 0.9 CG A:HIS312 4.2 22.9 0.8 C2A A:HEM501 4.3 27.6 1.0 C3A A:HEM501 4.3 27.6 1.0 C2D A:HEM501 4.3 27.7 1.0 C2C A:HEM501 4.3 27.5 1.0 C3D A:HEM501 4.3 27.8 1.0 C3C A:HEM501 4.3 27.6 1.0 C3B A:HEM501 4.3 27.5 1.0 C2B A:HEM501 4.3 27.5 1.0 CZ A:ARG327 4.9 30.6 0.8 CD A:ARG327 4.9 33.7 1.0 CE1 A:PHE348 5.0 28.5 1.0

Iron binding site 2 out of 2 in the Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structural Basis For the Catalytic Activity of Thermomonospora Curvata Heme-Containing Dyp-Type Peroxidase. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:29.7 occ:1.00 FE B:HEM501 0.0 29.7 1.0 NA B:HEM501 2.1 29.8 1.0 NC B:HEM501 2.1 29.9 1.0 ND B:HEM501 2.1 29.9 1.0 NB B:HEM501 2.1 29.7 1.0 NE2 B:HIS312 2.1 29.3 1.0 C4C B:HEM501 3.1 30.0 1.0 C4A B:HEM501 3.1 29.8 1.0 C1D B:HEM501 3.1 30.0 1.0 C1C B:HEM501 3.1 29.9 1.0 C1B B:HEM501 3.1 29.7 1.0 CE1 B:HIS312 3.1 27.0 1.0 C1A B:HEM501 3.1 29.8 1.0 C4D B:HEM501 3.1 29.9 1.0 C4B B:HEM501 3.1 29.7 1.0 CD2 B:HIS312 3.1 24.8 0.9 CHD B:HEM501 3.4 30.0 1.0 CHB B:HEM501 3.4 29.8 1.0 CHC B:HEM501 3.4 29.8 1.0 CHA B:HEM501 3.4 29.9 1.0 O B:HOH715 3.9 43.3 1.0 NH1 B:ARG327 4.1 29.7 0.8 ND1 B:HIS312 4.2 35.3 1.0 CG B:HIS312 4.2 26.9 0.8 C3C B:HEM501 4.3 30.1 1.0 C2C B:HEM501 4.3 30.0 1.0 C3A B:HEM501 4.3 29.8 1.0 C2A B:HEM501 4.3 29.9 1.0 C2D B:HEM501 4.3 30.0 1.0 C2B B:HEM501 4.3 29.7 1.0 C3D B:HEM501 4.3 30.0 1.0 C3B B:HEM501 4.3 29.7 1.0 CD B:ARG327 4.8 30.3 0.9 CZ B:ARG327 4.8 37.5 0.9 CE1 B:PHE348 4.9 35.6 1.0

R.Shrestha, X.Chen, K.X.Ramyar, Z.Hayati, E.A.Carlson, S.H.Bossmann, L.Song, B.V.Geisbrecht, P.Li. Identification of Surface-Exposed Protein Radicals and A Substrate Oxidation Site in A-Class Dye-Decolorizing Peroxidase From Thermomonospora Curvata. Acs Catal V. 6 8036 2016.
ISSN: ESSN 2155-5435
PubMed: 29308294
DOI: 10.1021/ACSCATAL.6B01952