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Iron in PDB 3qjs: 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: 3qjs 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) 20.00 / 2.80
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.206, 114.206, 146.934, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 26.5

Other elements in 3qjs:

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 3qjs). 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: 3qjs:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3qjs

Go back to Iron Binding Sites List in 3qjs
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:38.3
occ:1.00
 FE A:HEM800 0.0 38.3 1.0
NE2 A:HIS386 1.8 48.6 1.0
NA A:HEM800 2.0 37.2 1.0
NC A:HEM800 2.0 38.8 1.0
ND A:HEM800 2.1 35.0 1.0
NB A:HEM800 2.1 35.3 1.0
NE2 A:HIS72 2.3 43.7 1.0
CE1 A:HIS386 2.4 49.7 1.0
C1A A:HEM800 2.9 38.0 1.0
C4D A:HEM800 3.0 36.5 1.0
CE1 A:HIS72 3.0 44.4 1.0
C1C A:HEM800 3.1 38.1 1.0
C4C A:HEM800 3.1 39.6 1.0
C4A A:HEM800 3.1 39.0 1.0
CD2 A:HIS386 3.1 48.4 1.0
C4B A:HEM800 3.1 36.3 1.0
C1B A:HEM800 3.1 35.8 1.0
C1D A:HEM800 3.2 37.0 1.0
CHA A:HEM800 3.3 36.4 1.0
CD2 A:HIS72 3.4 46.9 1.0
CHC A:HEM800 3.4 35.9 1.0
CHB A:HEM800 3.5 39.1 1.0
CHD A:HEM800 3.5 37.5 1.0
ND1 A:HIS386 3.7 47.4 1.0
CG A:HIS386 4.0 47.4 1.0
C2A A:HEM800 4.1 40.6 1.0
C3A A:HEM800 4.2 40.8 1.0
ND1 A:HIS72 4.2 51.8 1.0
C3C A:HEM800 4.3 41.0 1.0
C2C A:HEM800 4.3 39.9 1.0
C3B A:HEM800 4.3 37.3 1.0
C3D A:HEM800 4.3 37.1 1.0
C2B A:HEM800 4.3 37.1 1.0
NE2 A:GLN42 4.4 49.6 1.0
C2D A:HEM800 4.4 37.4 1.0
CG A:HIS72 4.4 50.4 1.0
OD1 A:ASN76 4.9 56.7 1.0

Iron binding site 2 out of 2 in 3qjs

Go back to Iron Binding Sites List in 3qjs
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:37.6
occ:1.00
 FE A:HAS801 0.0 37.6 1.0
C A:CMO563 1.9 46.2 1.0
NA A:HAS801 2.0 33.9 1.0
ND A:HAS801 2.1 36.8 1.0
NC A:HAS801 2.1 33.6 1.0
NB A:HAS801 2.1 34.8 1.0
NE2 A:HIS384 2.1 40.4 1.0
O A:CMO563 2.9 36.4 1.0
C1A A:HAS801 3.0 33.0 1.0
CD2 A:HIS384 3.0 37.9 1.0
C4A A:HAS801 3.0 32.3 1.0
C4D A:HAS801 3.1 36.2 1.0
C4C A:HAS801 3.1 34.5 1.0
C1D A:HAS801 3.1 39.5 1.0
C1C A:HAS801 3.1 34.4 1.0
C1B A:HAS801 3.1 34.9 1.0
C4B A:HAS801 3.2 36.1 1.0
CE1 A:HIS384 3.2 40.5 1.0
CHA A:HAS801 3.5 35.3 1.0
CHD A:HAS801 3.5 33.6 1.0
CHB A:HAS801 3.6 37.5 1.0
CHC A:HAS801 3.7 35.7 1.0
CG A:HIS384 4.2 40.8 1.0
ND1 A:HIS384 4.2 43.1 1.0
C3C A:HAS801 4.3 37.0 1.0
C2A A:HAS801 4.3 35.0 1.0
C2B A:HAS801 4.3 32.8 1.0
C3A A:HAS801 4.4 34.7 1.0
C2D A:HAS801 4.4 41.9 1.0
C3B A:HAS801 4.4 33.3 1.0
C2C A:HAS801 4.4 35.9 1.0
C3D A:HAS801 4.4 38.9 1.0
ND2 A:ASN366 4.9 45.4 1.0
CU A:CU1803 5.0 41.6 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: Sun Aug 4 18:47:04 2024

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