Iron in PDB 4zva: Crystal Structure of Globin Domain of the E. Coli Dosc - Form I (Ferric)

All present enzymatic activity of Crystal Structure of Globin Domain of the E. Coli Dosc - Form I (Ferric):
2.7.7.65;

The structure of Crystal Structure of Globin Domain of the E. Coli Dosc - Form I (Ferric), PDB code: 4zva was solved by M.Tarnawski, T.R.M.Barends, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.71 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.410, 97.410, 152.180, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 25.7

The binding sites of Iron atom in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form I (Ferric) (pdb code 4zva). 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 Globin Domain of the E. Coli Dosc - Form I (Ferric), PDB code: 4zva:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form I (Ferric)


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 Globin Domain of the E. Coli Dosc - Form I (Ferric) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:47.6 occ:1.00 FE A:HEM201 0.0 47.6 1.0 NC A:HEM201 2.1 45.3 1.0 NA A:HEM201 2.1 47.1 1.0 NB A:HEM201 2.1 45.7 1.0 ND A:HEM201 2.1 49.1 1.0 NE2 A:HIS98 2.2 50.7 1.0 C1C A:HEM201 3.1 45.0 1.0 C4B A:HEM201 3.1 45.0 1.0 C1A A:HEM201 3.1 51.1 1.0 CE1 A:HIS98 3.1 52.1 1.0 C4D A:HEM201 3.1 48.7 1.0 C4C A:HEM201 3.1 46.2 1.0 C1D A:HEM201 3.1 49.0 1.0 C4A A:HEM201 3.1 48.5 1.0 C1B A:HEM201 3.1 50.2 1.0 CD2 A:HIS98 3.2 52.1 1.0 CHA A:HEM201 3.4 50.8 1.0 CHC A:HEM201 3.4 45.7 1.0 CHD A:HEM201 3.5 52.3 1.0 CHB A:HEM201 3.5 53.2 1.0 CD1 A:LEU65 3.8 48.5 1.0 ND1 A:HIS98 4.2 48.5 1.0 C2C A:HEM201 4.3 46.7 1.0 C2A A:HEM201 4.3 52.9 1.0 C3C A:HEM201 4.3 43.6 1.0 C3B A:HEM201 4.3 46.8 1.0 C3A A:HEM201 4.3 47.6 1.0 CG A:HIS98 4.3 53.1 1.0 C3D A:HEM201 4.3 52.1 1.0 C2B A:HEM201 4.3 49.9 1.0 C2D A:HEM201 4.3 46.4 1.0 CG1 A:VAL94 4.7 46.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form I (Ferric)


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 Globin Domain of the E. Coli Dosc - Form I (Ferric) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:40.1 occ:1.00 FE B:HEM201 0.0 40.1 1.0 NB B:HEM201 2.1 43.0 1.0 NC B:HEM201 2.1 43.7 1.0 ND B:HEM201 2.1 39.7 1.0 NA B:HEM201 2.1 34.9 1.0 NE2 B:HIS98 2.2 40.0 1.0 CE1 B:HIS98 3.0 40.4 1.0 C4B B:HEM201 3.0 45.2 1.0 C1C B:HEM201 3.1 45.4 1.0 C4D B:HEM201 3.1 43.5 1.0 C1A B:HEM201 3.1 42.0 1.0 C4C B:HEM201 3.1 42.7 1.0 C1D B:HEM201 3.1 45.9 1.0 C1B B:HEM201 3.1 41.8 1.0 C4A B:HEM201 3.1 41.5 1.0 CD2 B:HIS98 3.3 40.4 1.0 CHA B:HEM201 3.4 35.1 1.0 CHC B:HEM201 3.4 42.1 1.0 CHD B:HEM201 3.5 43.3 1.0 CHB B:HEM201 3.5 46.0 1.0 CD1 B:LEU65 3.7 32.4 1.0 ND1 B:HIS98 4.2 40.7 1.0 C3B B:HEM201 4.3 42.0 1.0 C2C B:HEM201 4.3 45.4 1.0 C2A B:HEM201 4.3 40.2 1.0 C3D B:HEM201 4.3 44.2 1.0 C2B B:HEM201 4.3 43.2 1.0 C3C B:HEM201 4.3 45.9 1.0 C3A B:HEM201 4.3 42.4 1.0 CG B:HIS98 4.3 42.2 1.0 C2D B:HEM201 4.3 39.3 1.0 CG1 B:VAL94 4.6 40.4 1.0

M.Tarnawski, T.R.Barends, I.Schlichting. Structural Analysis of An Oxygen-Regulated Diguanylate Cyclase. Acta Crystallogr.,Sect.D V. 71 2158 2015.
ISSN: ESSN 1399-0047
PubMed: 26527135
DOI: 10.1107/S139900471501545X