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Iron in PDB 3bvd: Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN

Enzymatic activity of Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN

All present enzymatic activity of Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN:
1.9.3.1;

Protein crystallography data

The structure of Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN, PDB code: 3bvd was solved by V.M.Luna, Y.Chen, J.A.Fee, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.96 / 3.37
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 119.726, 119.726, 153.535, 90.00, 90.00, 90.00
R / Rfree (%) 29.2 / 33.6

Other elements in 3bvd:

The structure of Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN also contains other interesting chemical elements:

Xenon (Xe) 7 atoms
Copper (Cu) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN (pdb code 3bvd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN, PDB code: 3bvd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3bvd

Go back to Iron Binding Sites List in 3bvd
Iron binding site 1 out of 2 in the Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:85.5
occ:1.00
FE A:HEM800 0.0 85.5 1.0
NC A:HEM800 2.0 85.5 1.0
NA A:HEM800 2.0 85.5 1.0
NB A:HEM800 2.1 85.5 1.0
ND A:HEM800 2.1 85.5 1.0
NE2 A:HIS386 2.1 85.5 1.0
NE2 A:HIS72 2.2 85.5 1.0
CE1 A:HIS386 3.0 85.5 1.0
C1A A:HEM800 3.0 85.5 1.0
C4D A:HEM800 3.0 85.5 1.0
C4A A:HEM800 3.0 85.5 1.0
C4C A:HEM800 3.1 85.5 1.0
C1B A:HEM800 3.1 85.5 1.0
C1C A:HEM800 3.1 85.5 1.0
C1D A:HEM800 3.1 85.5 1.0
C4B A:HEM800 3.1 85.5 1.0
CE1 A:HIS72 3.1 85.5 1.0
CD2 A:HIS386 3.2 85.5 1.0
CD2 A:HIS72 3.2 85.5 1.0
CHA A:HEM800 3.4 85.5 1.0
CHB A:HEM800 3.4 85.5 1.0
CHD A:HEM800 3.4 85.5 1.0
CHC A:HEM800 3.5 85.5 1.0
ND1 A:HIS386 4.2 85.5 1.0
C2A A:HEM800 4.2 85.5 1.0
C3A A:HEM800 4.2 85.5 1.0
ND1 A:HIS72 4.3 85.5 1.0
CG A:HIS386 4.3 85.5 1.0
C3D A:HEM800 4.3 85.5 1.0
C3C A:HEM800 4.3 85.5 1.0
C2C A:HEM800 4.3 85.5 1.0
C2B A:HEM800 4.3 85.5 1.0
C2D A:HEM800 4.3 85.5 1.0
C3B A:HEM800 4.3 85.5 1.0
CG A:HIS72 4.3 85.5 1.0
NE2 A:GLN42 4.9 85.5 1.0

Iron binding site 2 out of 2 in 3bvd

Go back to Iron Binding Sites List in 3bvd
Iron binding site 2 out of 2 in the Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Surface-Engineered Cytochrome BA3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100PSI 5MIN within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:85.5
occ:1.00
FE A:HAS801 0.0 85.5 1.0
ND A:HAS801 2.1 85.5 1.0
NA A:HAS801 2.1 85.5 1.0
NC A:HAS801 2.1 85.5 1.0
NB A:HAS801 2.1 85.5 1.0
NE2 A:HIS384 2.9 85.5 1.0
C1D A:HAS801 3.1 85.5 1.0
C1A A:HAS801 3.1 85.5 1.0
C4D A:HAS801 3.1 85.5 1.0
C4C A:HAS801 3.1 85.5 1.0
C4A A:HAS801 3.1 85.5 1.0
C1B A:HAS801 3.1 85.5 1.0
C1C A:HAS801 3.1 85.5 1.0
C4B A:HAS801 3.1 85.5 1.0
CHA A:HAS801 3.4 85.5 1.0
CHD A:HAS801 3.4 85.5 1.0
CHC A:HAS801 3.4 85.5 1.0
CHB A:HAS801 3.5 85.5 1.0
CD2 A:HIS384 3.8 85.5 1.0
CE1 A:HIS384 3.8 85.5 1.0
C2D A:HAS801 4.3 85.5 1.0
C3C A:HAS801 4.3 85.5 1.0
C3D A:HAS801 4.3 85.5 1.0
C2B A:HAS801 4.3 85.5 1.0
C2C A:HAS801 4.4 85.5 1.0
C3B A:HAS801 4.4 85.5 1.0
C2A A:HAS801 4.4 85.5 1.0
C3A A:HAS801 4.4 85.5 1.0
CU A:CU803 4.7 85.5 1.0
CE1 A:HIS233 4.7 85.5 1.0
ND1 A:HIS384 4.9 85.5 1.0
CG A:HIS384 5.0 85.5 1.0
ND1 A:HIS233 5.0 85.5 1.0

Reference:

V.M.Luna, Y.Chen, J.A.Fee, C.D.Stout. Crystallographic Studies of Xe and Kr Binding Within the Large Internal Cavity of Cytochrome BA3 From Thermus Thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases. Biochemistry V. 47 4657 2008.
ISSN: ISSN 0006-2960
PubMed: 18376849
DOI: 10.1021/BI800045Y
Page generated: Sun Dec 13 15:02:10 2020

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