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Iron in PDB 3qjt: The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus

Enzymatic activity of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus

All present enzymatic activity of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus:
1.9.3.1;

Protein crystallography data

The structure of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus, PDB code: 3qjt was solved by B.Liu, Y.Zhang, J.T.Sage, T.Doukov, Y.Chen, C.D.Stout, J.A.Fee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.62 / 2.95
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.964, 114.964, 148.562, 90.00, 90.00, 90.00
R / Rfree (%) 25.8 / 32.3

Other elements in 3qjt:

The structure of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus also contains other interesting chemical elements:

Copper (Cu) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus (pdb code 3qjt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus, PDB code: 3qjt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3qjt

Go back to Iron Binding Sites List in 3qjt
Iron binding site 1 out of 2 in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:53.2
occ:1.00
 FE A:HEM800 0.0 53.2 1.0
ND A:HEM800 2.0 53.7 1.0
NE2 A:HIS386 2.0 56.0 1.0
NE2 A:HIS72 2.0 57.9 1.0
NC A:HEM800 2.1 54.7 1.0
NA A:HEM800 2.1 54.0 1.0
NB A:HEM800 2.1 55.9 1.0
CE1 A:HIS386 2.7 55.9 1.0
CE1 A:HIS72 2.9 60.3 1.0
C1D A:HEM800 3.0 53.3 1.0
C4D A:HEM800 3.0 55.0 1.0
CD2 A:HIS72 3.0 59.4 1.0
C1A A:HEM800 3.1 53.0 1.0
C4C A:HEM800 3.1 55.2 1.0
CD2 A:HIS386 3.1 57.3 1.0
C4A A:HEM800 3.1 53.7 1.0
C1C A:HEM800 3.1 55.0 1.0
C4B A:HEM800 3.2 56.9 1.0
C1B A:HEM800 3.2 55.8 1.0
CHD A:HEM800 3.4 54.8 1.0
CHA A:HEM800 3.4 54.2 1.0
CHB A:HEM800 3.5 55.9 1.0
CHC A:HEM800 3.5 56.3 1.0
ND1 A:HIS386 3.9 57.1 1.0
ND1 A:HIS72 4.0 61.3 1.0
CG A:HIS386 4.1 56.4 1.0
CG A:HIS72 4.1 61.4 1.0
C2D A:HEM800 4.2 53.1 1.0
C3D A:HEM800 4.2 54.2 1.0
C2A A:HEM800 4.3 52.1 1.0
C3A A:HEM800 4.3 52.4 1.0
C3C A:HEM800 4.3 56.2 1.0
C2C A:HEM800 4.4 56.0 1.0
C3B A:HEM800 4.4 57.1 1.0
C2B A:HEM800 4.4 55.7 1.0
NE2 A:GLN42 4.7 63.1 1.0
CE1 A:PHE385 5.0 59.1 1.0

Iron binding site 2 out of 2 in 3qjt

Go back to Iron Binding Sites List in 3qjt
Iron binding site 2 out of 2 in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:48.6
occ:1.00
 FE A:HAS801 0.0 48.6 1.0
NE2 A:HIS384 1.9 56.9 1.0
C A:CMO563 1.9 53.1 1.0
NB A:HAS801 2.1 52.6 1.0
NC A:HAS801 2.1 49.5 1.0
ND A:HAS801 2.1 52.0 1.0
NA A:HAS801 2.1 50.4 1.0
CE1 A:HIS384 2.6 58.0 1.0
O A:CMO563 2.6 71.7 1.0
C1B A:HAS801 3.1 53.7 1.0
C4C A:HAS801 3.1 49.6 1.0
CD2 A:HIS384 3.1 56.3 1.0
C1D A:HAS801 3.1 54.7 1.0
C4A A:HAS801 3.1 48.3 1.0
C1C A:HAS801 3.1 48.9 1.0
C1A A:HAS801 3.1 49.3 1.0
C4B A:HAS801 3.2 53.0 1.0
C4D A:HAS801 3.2 50.6 1.0
CHB A:HAS801 3.5 54.6 1.0
CHD A:HAS801 3.5 48.6 1.0
CHC A:HAS801 3.6 50.9 1.0
CHA A:HAS801 3.6 50.5 1.0
ND1 A:HIS384 3.8 57.1 1.0
CG A:HIS384 4.1 55.8 1.0
C2D A:HAS801 4.3 54.9 1.0
C3C A:HAS801 4.3 49.4 1.0
C2B A:HAS801 4.4 53.9 1.0
C3D A:HAS801 4.4 52.2 1.0
C2C A:HAS801 4.4 49.1 1.0
C3B A:HAS801 4.4 53.4 1.0
C2A A:HAS801 4.4 48.4 1.0
C3A A:HAS801 4.4 49.0 1.0
CA A:GLY363 4.8 56.4 1.0
CU A:CU1803 4.9 57.0 1.0

Reference:

B.Liu, Y.Zhang, J.T.Sage, S.M.Soltis, T.Doukov, Y.Chen, C.D.Stout, J.A.Fee. Structural Changes That Occur Upon Photolysis of the Fe(II)(A3)-Co Complex in the Cytochrome Ba(3)-Oxidase of Thermus Thermophilus: A Combined X-Ray Crystallographic and Infrared Spectral Study Demonstrates Co Binding to Cu(B). Biochim.Biophys.Acta V.1817 658 2012.
ISSN: ISSN 0006-3002
PubMed: 22226917
DOI: 10.1016/J.BBABIO.2011.12.010
Page generated: Tue Aug 5 06:09:12 2025

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