Iron in PDB 1or6: Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Unliganded Form

The structure of Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Unliganded Form, PDB code: 1or6 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)	26.74 / 2.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.453, 79.724, 85.146, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 32.9

The binding sites of Iron atom in the Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Unliganded Form (pdb code 1or6). 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 Unliganded Form, PDB code: 1or6:
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 Unliganded 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 Unliganded Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe180 b:29.7 occ:1.00 FE A:HEM180 0.0 29.7 1.0 ND A:HEM180 1.9 35.4 1.0 NA A:HEM180 1.9 35.4 1.0 NC A:HEM180 2.0 32.9 1.0 NB A:HEM180 2.1 36.2 1.0 NE2 A:HIS123 2.3 37.8 1.0 C4D A:HEM180 2.9 36.6 1.0 C1D A:HEM180 2.9 35.2 1.0 C1A A:HEM180 2.9 36.3 1.0 C4C A:HEM180 3.0 33.3 1.0 C4A A:HEM180 3.0 34.8 1.0 C1C A:HEM180 3.1 32.9 1.0 C1B A:HEM180 3.1 36.9 1.0 C4B A:HEM180 3.1 35.9 1.0 CE1 A:HIS123 3.1 38.7 1.0 CHA A:HEM180 3.3 34.8 1.0 CD2 A:HIS123 3.3 37.2 1.0 CHD A:HEM180 3.3 33.8 1.0 CHB A:HEM180 3.4 35.7 1.0 CHC A:HEM180 3.5 34.8 1.0 CD1 A:LEU92 4.1 45.1 1.0 C2D A:HEM180 4.2 36.9 1.0 C3D A:HEM180 4.2 38.6 1.0 C2A A:HEM180 4.2 37.5 1.0 C3A A:HEM180 4.2 35.9 1.0 C3C A:HEM180 4.3 32.2 1.0 ND1 A:HIS123 4.3 39.1 1.0 C2C A:HEM180 4.3 32.5 1.0 C3B A:HEM180 4.4 36.5 1.0 C2B A:HEM180 4.4 36.5 1.0 CG A:HIS123 4.4 36.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hemat Sensor Domain From B.Subtilis in the Unliganded 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 Unliganded Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe180 b:28.7 occ:1.00 FE B:HEM180 0.0 28.7 1.0 NA B:HEM180 1.9 28.8 1.0 ND B:HEM180 2.0 28.3 1.0 NB B:HEM180 2.0 24.8 1.0 NE2 B:HIS123 2.1 40.4 1.0 NC B:HEM180 2.1 27.9 1.0 C1A B:HEM180 2.9 30.9 1.0 CE1 B:HIS123 2.9 40.8 1.0 C4A B:HEM180 2.9 28.4 1.0 C4D B:HEM180 3.0 28.6 1.0 C1B B:HEM180 3.0 25.0 1.0 C4B B:HEM180 3.0 24.8 1.0 C1D B:HEM180 3.1 27.4 1.0 C1C B:HEM180 3.1 25.5 1.0 C4C B:HEM180 3.2 27.4 1.0 CD2 B:HIS123 3.2 39.9 1.0 CHA B:HEM180 3.3 29.8 1.0 CHB B:HEM180 3.3 25.0 1.0 CHC B:HEM180 3.5 26.1 1.0 CHD B:HEM180 3.5 26.7 1.0 ND1 B:HIS123 4.1 40.7 1.0 C2A B:HEM180 4.2 32.0 1.0 C3A B:HEM180 4.2 31.0 1.0 C3D B:HEM180 4.2 28.2 1.0 C2B B:HEM180 4.2 25.0 1.0 C3B B:HEM180 4.3 25.0 1.0 CG B:HIS123 4.3 39.7 1.0 C2D B:HEM180 4.3 27.2 1.0 CD2 B:LEU92 4.3 35.7 1.0 C2C B:HEM180 4.4 25.3 1.0 C3C B:HEM180 4.4 28.5 1.0 CD2 B:LEU96 4.9 39.9 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