Iron in PDB 4zvb: Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous)

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

The structure of Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous), PDB code: 4zvb 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)	45.34 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.960, 58.270, 59.400, 79.52, 75.69, 75.29
R / Rfree (%)	21.7 / 25.1

The binding sites of Iron atom in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous) (pdb code 4zvb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous), PDB code: 4zvb:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous)


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 II (Ferrous) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:45.4 occ:1.00 FE A:HEM201 0.0 45.4 1.0 NA A:HEM201 2.1 35.3 1.0 NC A:HEM201 2.1 30.1 1.0 NB A:HEM201 2.1 34.2 1.0 ND A:HEM201 2.1 29.9 1.0 NE2 A:HIS98 2.2 38.0 1.0 CE1 A:HIS98 2.9 40.1 1.0 C1A A:HEM201 3.1 31.6 1.0 C4D A:HEM201 3.1 33.4 1.0 C1C A:HEM201 3.1 27.1 1.0 C4B A:HEM201 3.1 33.7 1.0 C4C A:HEM201 3.1 23.3 1.0 C4A A:HEM201 3.1 37.1 1.0 C1D A:HEM201 3.1 29.2 1.0 C1B A:HEM201 3.1 35.1 1.0 CD2 A:HIS98 3.3 43.0 1.0 CHA A:HEM201 3.4 36.8 1.0 CHC A:HEM201 3.4 29.1 1.0 CHD A:HEM201 3.4 24.4 1.0 CHB A:HEM201 3.5 40.1 1.0 CD1 A:LEU65 3.8 38.9 1.0 ND1 A:HIS98 4.1 42.1 1.0 C2A A:HEM201 4.3 39.0 1.0 C3A A:HEM201 4.3 40.3 1.0 C2C A:HEM201 4.3 29.0 1.0 C3C A:HEM201 4.3 24.2 1.0 C3D A:HEM201 4.3 29.9 1.0 C3B A:HEM201 4.3 37.3 1.0 C2B A:HEM201 4.3 35.6 1.0 C2D A:HEM201 4.3 26.7 1.0 CG A:HIS98 4.4 47.0 1.0 CG1 A:VAL94 4.7 33.0 1.0 CE A:MET69 4.9 39.3 1.0 CD2 A:LEU65 5.0 45.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous)


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 II (Ferrous) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:39.4 occ:1.00 FE B:HEM201 0.0 39.4 1.0 NC B:HEM201 2.0 41.2 1.0 NA B:HEM201 2.1 40.9 1.0 ND B:HEM201 2.1 41.9 1.0 NB B:HEM201 2.1 41.4 1.0 NE2 B:HIS98 2.2 36.3 1.0 CE1 B:HIS98 3.0 36.3 1.0 C1A B:HEM201 3.0 39.9 1.0 C4D B:HEM201 3.1 44.2 1.0 C1C B:HEM201 3.1 35.1 1.0 C4C B:HEM201 3.1 38.2 1.0 C4B B:HEM201 3.1 35.3 1.0 C1D B:HEM201 3.1 37.5 1.0 C4A B:HEM201 3.1 38.6 1.0 C1B B:HEM201 3.1 36.6 1.0 CD2 B:HIS98 3.3 41.0 1.0 CHA B:HEM201 3.4 40.8 1.0 CHC B:HEM201 3.4 36.9 1.0 CHD B:HEM201 3.4 35.8 1.0 CD1 B:LEU65 3.5 42.6 1.0 CHB B:HEM201 3.5 40.1 1.0 ND1 B:HIS98 4.1 42.9 1.0 C2A B:HEM201 4.3 48.8 1.0 C2C B:HEM201 4.3 34.9 1.0 C3C B:HEM201 4.3 33.7 1.0 C3A B:HEM201 4.3 45.5 1.0 C3D B:HEM201 4.3 42.4 1.0 C3B B:HEM201 4.3 37.6 1.0 CG B:HIS98 4.3 43.0 1.0 C2D B:HEM201 4.3 45.0 1.0 C2B B:HEM201 4.3 40.8 1.0 CG B:LEU65 4.8 44.0 1.0 CG1 B:VAL94 4.8 38.1 1.0 CD2 B:LEU65 4.9 38.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:42.2 occ:1.00 FE C:HEM201 0.0 42.2 1.0 NA C:HEM201 2.0 29.3 1.0 NC C:HEM201 2.1 25.2 1.0 NB C:HEM201 2.1 31.0 1.0 ND C:HEM201 2.1 27.0 1.0 NE2 C:HIS98 2.2 40.5 1.0 CE1 C:HIS98 2.9 39.0 1.0 C1A C:HEM201 3.0 30.1 1.0 C4D C:HEM201 3.1 28.6 1.0 C1C C:HEM201 3.1 30.3 1.0 C4B C:HEM201 3.1 30.7 1.0 C4C C:HEM201 3.1 19.0 1.0 C4A C:HEM201 3.1 34.8 1.0 C1D C:HEM201 3.1 26.6 1.0 C1B C:HEM201 3.1 33.9 1.0 CD2 C:HIS98 3.4 38.4 1.0 CHA C:HEM201 3.4 33.8 1.0 CHC C:HEM201 3.4 29.9 1.0 CHD C:HEM201 3.5 23.5 1.0 CHB C:HEM201 3.5 37.6 1.0 CD1 C:LEU65 3.6 38.1 1.0 ND1 C:HIS98 4.1 34.8 1.0 C2A C:HEM201 4.3 37.3 1.0 C2C C:HEM201 4.3 28.9 1.0 C3A C:HEM201 4.3 40.4 1.0 C3D C:HEM201 4.3 24.5 1.0 C3C C:HEM201 4.3 24.9 1.0 C3B C:HEM201 4.3 35.2 1.0 C2D C:HEM201 4.3 24.4 1.0 C2B C:HEM201 4.3 36.4 1.0 CG C:HIS98 4.3 42.7 1.0 CG1 C:VAL94 4.7 27.9 1.0 CE C:MET69 4.7 35.6 1.0 CG C:LEU65 4.9 46.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Globin Domain of the E. Coli Dosc - Form II (Ferrous) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:43.6 occ:1.00 FE D:HEM201 0.0 43.6 1.0 NA D:HEM201 2.0 42.0 1.0 NC D:HEM201 2.1 43.5 1.0 NB D:HEM201 2.1 43.2 1.0 ND D:HEM201 2.1 38.4 1.0 NE2 D:HIS98 2.2 34.7 1.0 CE1 D:HIS98 2.9 33.5 1.0 C1A D:HEM201 3.0 38.3 1.0 C1C D:HEM201 3.1 40.5 1.0 C4D D:HEM201 3.1 41.2 1.0 C4B D:HEM201 3.1 43.1 1.0 C4C D:HEM201 3.1 32.7 1.0 C4A D:HEM201 3.1 40.4 1.0 C1D D:HEM201 3.1 41.3 1.0 C1B D:HEM201 3.1 39.5 1.0 CD2 D:HIS98 3.3 40.1 1.0 CHA D:HEM201 3.4 37.1 1.0 CHC D:HEM201 3.4 38.0 1.0 CHD D:HEM201 3.4 34.7 1.0 CD1 D:LEU65 3.5 43.0 1.0 CHB D:HEM201 3.5 43.6 1.0 ND1 D:HIS98 4.1 37.8 1.0 C2A D:HEM201 4.3 42.7 1.0 C2C D:HEM201 4.3 41.7 1.0 C3A D:HEM201 4.3 44.1 1.0 C3C D:HEM201 4.3 35.3 1.0 C3B D:HEM201 4.3 40.7 1.0 C3D D:HEM201 4.3 38.2 1.0 C2B D:HEM201 4.3 43.5 1.0 C2D D:HEM201 4.3 42.8 1.0 CG D:HIS98 4.3 43.8 1.0 CG1 D:VAL94 4.8 36.6 1.0 CG D:LEU65 4.8 48.5 1.0 CD2 D:LEU65 4.9 44.0 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