Iron in PDB 1or4: Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form

The structure of Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form, PDB code: 1or4 was solved by W.Zhang, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.98 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.994, 80.117, 85.944, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 25.8

The binding sites of Iron atom in the Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form (pdb code 1or4). 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 Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form, PDB code: 1or4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form


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 Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe180 b:20.2 occ:1.00 FE A:HEM180 0.0 20.2 1.0 C A:CYN181 1.6 7.8 1.0 NA A:HEM180 2.0 17.3 1.0 NC A:HEM180 2.0 18.2 1.0 NB A:HEM180 2.0 19.3 1.0 ND A:HEM180 2.0 17.5 1.0 NE2 A:HIS123 2.0 24.2 1.0 CE1 A:HIS123 2.9 31.7 1.0 C4B A:HEM180 3.0 15.7 1.0 C4C A:HEM180 3.0 16.8 1.0 C4A A:HEM180 3.0 17.4 1.0 C4D A:HEM180 3.0 19.5 1.0 C1B A:HEM180 3.0 21.1 1.0 C1A A:HEM180 3.0 18.7 1.0 C1C A:HEM180 3.0 16.9 1.0 C1D A:HEM180 3.0 14.9 1.0 CD2 A:HIS123 3.1 22.4 1.0 N A:CYN181 3.1 18.2 1.0 CHC A:HEM180 3.3 15.8 1.0 CHB A:HEM180 3.3 17.9 1.0 CHA A:HEM180 3.3 21.3 1.0 CHD A:HEM180 3.4 15.1 1.0 ND1 A:HIS123 4.1 25.5 1.0 CG A:HIS123 4.2 27.0 1.0 C3D A:HEM180 4.3 21.4 1.0 C2B A:HEM180 4.3 19.6 1.0 C3A A:HEM180 4.3 22.4 1.0 C3C A:HEM180 4.3 15.7 1.0 C2C A:HEM180 4.3 16.4 1.0 C3B A:HEM180 4.3 17.4 1.0 C2A A:HEM180 4.3 22.1 1.0 C2D A:HEM180 4.3 18.4 1.0 O A:HOH182 4.8 16.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form


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 Hemat Sensor Domain From B.Subtilis in the Cyano-Liganded Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe180 b:23.5 occ:1.00 FE B:HEM180 0.0 23.5 1.0 C B:CYN181 1.5 11.4 1.0 ND B:HEM180 2.0 26.9 1.0 NB B:HEM180 2.0 15.7 1.0 NA B:HEM180 2.0 25.3 1.0 NC B:HEM180 2.0 18.3 1.0 NE2 B:HIS123 2.0 23.6 1.0 CD2 B:HIS123 3.0 19.4 1.0 CE1 B:HIS123 3.0 33.4 1.0 C4C B:HEM180 3.0 17.7 1.0 C1B B:HEM180 3.0 15.0 1.0 C4D B:HEM180 3.0 30.0 1.0 C4B B:HEM180 3.0 15.8 1.0 C1C B:HEM180 3.0 16.3 1.0 C4A B:HEM180 3.0 24.1 1.0 C1A B:HEM180 3.0 26.6 1.0 C1D B:HEM180 3.0 23.0 1.0 N B:CYN181 3.1 15.3 1.0 CHB B:HEM180 3.4 19.2 1.0 CHC B:HEM180 3.4 16.4 1.0 CHA B:HEM180 3.4 28.1 1.0 CHD B:HEM180 3.4 20.6 1.0 ND1 B:HIS123 4.1 36.5 1.0 CG B:HIS123 4.1 28.2 1.0 C3D B:HEM180 4.3 29.3 1.0 C2B B:HEM180 4.3 17.0 1.0 C2C B:HEM180 4.3 14.8 1.0 C2A B:HEM180 4.3 29.4 1.0 C3C B:HEM180 4.3 14.4 1.0 C2D B:HEM180 4.3 23.2 1.0 C3B B:HEM180 4.3 18.4 1.0 C3A B:HEM180 4.3 27.8 1.0 O B:HOH182 4.5 23.6 1.0

W.Zhang, G.N.Phillips. Structure of the Oxygen Sensor in Bacillus Subtilis: Signal Transduction of Chemotaxis By Control of Symmetry. Structure V. 11 1097 2003.
ISSN: ISSN 0969-2126
PubMed: 12962628
DOI: 10.1016/S0969-2126(03)00169-2