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

Protein crystallography data

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

Iron Binding Sites:

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 1or4

Go back to Iron Binding Sites List in 1or4
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 1or4

Go back to Iron Binding Sites List in 1or4
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

Reference:

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
Page generated: Sat Aug 3 12:36:42 2024

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