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Iron in PDB 2qpd: An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus

Enzymatic activity of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus

All present enzymatic activity of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus:
1.9.3.1;

Protein crystallography data

The structure of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus, PDB code: 2qpd was solved by B.Liu, V.M.Luna, 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) 19.98 / 3.25
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 115.190, 115.190, 149.140, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 30.7

Other elements in 2qpd:

The structure of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of 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 An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus (pdb code 2qpd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus, PDB code: 2qpd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2qpd

Go back to Iron Binding Sites List in 2qpd
Iron binding site 1 out of 2 in the An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of 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 An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:71.2
occ:1.00
 FE A:HEM800 0.0 71.2 1.0
NB A:HEM800 2.0 80.8 1.0
NA A:HEM800 2.0 84.2 1.0
ND A:HEM800 2.1 84.7 1.0
NE2 A:HIS72 2.1 23.1 1.0
NC A:HEM800 2.1 86.9 1.0
NE2 A:HIS386 2.2 6.3 1.0
CE1 A:HIS72 2.7 41.2 1.0
CE1 A:HIS386 2.9 32.0 1.0
C4B A:HEM800 3.0 79.3 1.0
C4D A:HEM800 3.0 83.1 1.0
C1A A:HEM800 3.0 68.0 1.0
C1B A:HEM800 3.1 79.5 1.0
C1C A:HEM800 3.1 78.1 1.0
C4A A:HEM800 3.1 81.4 1.0
C1D A:HEM800 3.2 69.7 1.0
C4C A:HEM800 3.2 70.3 1.0
CHA A:HEM800 3.3 72.7 1.0
CHC A:HEM800 3.4 63.1 1.0
CD2 A:HIS72 3.4 33.4 1.0
CD2 A:HIS386 3.4 25.2 1.0
CHB A:HEM800 3.5 80.6 1.0
CHD A:HEM800 3.6 67.2 1.0
ND1 A:HIS72 3.9 41.6 1.0
ND1 A:HIS386 4.1 27.2 1.0
C3B A:HEM800 4.2 83.7 1.0
C2A A:HEM800 4.2 55.0 1.0
C2B A:HEM800 4.3 72.7 1.0
CG A:HIS72 4.3 35.1 1.0
C3D A:HEM800 4.3 84.9 1.0
C3A A:HEM800 4.3 69.8 1.0
C2C A:HEM800 4.3 66.1 1.0
CG A:HIS386 4.4 21.8 1.0
C2D A:HEM800 4.4 77.3 1.0
C3C A:HEM800 4.4 63.1 1.0

Iron binding site 2 out of 2 in 2qpd

Go back to Iron Binding Sites List in 2qpd
Iron binding site 2 out of 2 in the An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of 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 An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:56.6
occ:1.00
 FE A:HAS801 0.0 56.6 1.0
NA A:HAS801 1.9 50.9 1.0
NC A:HAS801 2.0 57.7 1.0
NE2 A:HIS384 2.1 32.8 1.0
NB A:HAS801 2.1 68.6 1.0
ND A:HAS801 2.1 69.0 1.0
C4A A:HAS801 2.9 49.3 1.0
C1A A:HAS801 2.9 55.2 1.0
CD2 A:HIS384 3.0 28.3 1.0
C4C A:HAS801 3.0 52.1 1.0
C1C A:HAS801 3.0 42.9 1.0
CE1 A:HIS384 3.0 33.9 1.0
C4B A:HAS801 3.1 69.0 1.0
C4D A:HAS801 3.1 56.5 1.0
C1D A:HAS801 3.1 65.8 1.0
C1B A:HAS801 3.1 68.4 1.0
CHD A:HAS801 3.4 60.1 1.0
CHA A:HAS801 3.5 61.2 1.0
CHC A:HAS801 3.5 51.5 1.0
CHB A:HAS801 3.6 63.6 1.0
ND1 A:HIS384 4.1 22.1 1.0
CG A:HIS384 4.2 21.0 1.0
C3C A:HAS801 4.2 52.6 1.0
C3A A:HAS801 4.2 62.8 1.0
C2A A:HAS801 4.3 70.1 1.0
C3B A:HAS801 4.3 68.5 1.0
C2B A:HAS801 4.3 69.9 1.0
C2D A:HAS801 4.3 57.7 1.0
C3D A:HAS801 4.4 66.4 1.0
C2C A:HAS801 4.4 51.4 1.0
CU A:CU1803 4.4 83.6 1.0
CG A:GLN388 4.8 11.0 1.0
CA A:GLY363 4.9 36.9 1.0

Reference:

B.Liu, V.M.Luna, Y.Chen, C.D.Stout, J.A.Fee. An Unexpected Outcome of Surface Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome Ba(3) From Thermus Thermophilus. Acta Crystallogr.,Sect.F V. 63 1029 2007.
ISSN: ESSN 1744-3091
PubMed: 18084085
DOI: 10.1107/S1744309107054176
Page generated: Sun Aug 4 01:47:42 2024

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