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Iron in PDB 4gp8: Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus

Enzymatic activity of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus

All present enzymatic activity of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus:
1.9.3.1;

Protein crystallography data

The structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus, PDB code: 4gp8 was solved by Y.Li, Y.Chen, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.380, 98.880, 95.490, 90.00, 127.52, 90.00
R / Rfree (%) 17.7 / 22.7

Other elements in 4gp8:

The structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus also contains other interesting chemical elements:

Copper (Cu) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus (pdb code 4gp8). 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 Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus, PDB code: 4gp8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4gp8

Go back to Iron Binding Sites List in 4gp8
Iron binding site 1 out of 2 in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F 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 Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:19.1
occ:1.00
FE A:HEM602 0.0 19.1 1.0
ND A:HEM602 2.0 20.3 1.0
NE2 A:HIS72 2.0 16.4 1.0
NA A:HEM602 2.0 20.7 1.0
NC A:HEM602 2.1 19.6 1.0
NE2 A:HIS386 2.1 17.6 1.0
NB A:HEM602 2.2 17.1 1.0
CE1 A:HIS72 2.9 18.2 1.0
C4C A:HEM602 2.9 17.7 1.0
C1D A:HEM602 3.0 21.4 1.0
C4D A:HEM602 3.0 20.9 1.0
C1A A:HEM602 3.0 19.2 1.0
C1C A:HEM602 3.1 17.4 1.0
CD2 A:HIS72 3.1 15.1 1.0
C4A A:HEM602 3.1 21.3 1.0
CE1 A:HIS386 3.1 19.6 1.0
CD2 A:HIS386 3.1 20.5 1.0
C4B A:HEM602 3.1 17.4 1.0
C1B A:HEM602 3.2 18.9 1.0
CHD A:HEM602 3.3 19.2 1.0
CHA A:HEM602 3.4 20.8 1.0
CHC A:HEM602 3.5 16.6 1.0
CHB A:HEM602 3.6 19.8 1.0
ND1 A:HIS72 4.1 17.9 1.0
C3C A:HEM602 4.1 16.4 1.0
CG A:HIS72 4.2 17.3 1.0
C2C A:HEM602 4.2 16.9 1.0
ND1 A:HIS386 4.2 20.2 1.0
C2D A:HEM602 4.3 22.4 1.0
C3D A:HEM602 4.3 20.5 1.0
C2A A:HEM602 4.3 20.8 1.0
CG A:HIS386 4.3 22.1 1.0
C3A A:HEM602 4.3 22.0 1.0
C2B A:HEM602 4.4 18.8 1.0
C3B A:HEM602 4.4 17.9 1.0
OE1 A:GLN42 4.7 26.9 1.0

Iron binding site 2 out of 2 in 4gp8

Go back to Iron Binding Sites List in 4gp8
Iron binding site 2 out of 2 in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F 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 Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe603

b:21.5
occ:1.00
FE A:HAS603 0.0 21.5 1.0
ND A:HAS603 2.0 19.2 1.0
NB A:HAS603 2.0 18.4 1.0
NC A:HAS603 2.0 18.1 1.0
NA A:HAS603 2.0 16.5 1.0
NE2 A:HIS384 2.4 23.7 1.0
O1 A:PER604 2.5 28.6 1.0
C4B A:HAS603 3.1 17.5 1.0
C1A A:HAS603 3.1 16.3 1.0
C1B A:HAS603 3.1 18.2 1.0
C4A A:HAS603 3.1 17.4 1.0
C1C A:HAS603 3.1 17.7 1.0
C4D A:HAS603 3.1 17.0 1.0
C1D A:HAS603 3.1 18.0 1.0
C4C A:HAS603 3.1 16.5 1.0
CD2 A:HIS384 3.3 24.5 1.0
CE1 A:HIS384 3.4 24.4 1.0
CHC A:HAS603 3.4 16.2 1.0
CHD A:HAS603 3.5 17.2 1.0
CHA A:HAS603 3.5 16.9 1.0
CHB A:HAS603 3.5 17.1 1.0
O2 A:PER604 3.7 28.5 1.0
C2C A:HAS603 4.3 17.8 1.0
C2D A:HAS603 4.3 18.3 1.0
C2A A:HAS603 4.3 16.6 1.0
C3D A:HAS603 4.3 16.1 1.0
C3B A:HAS603 4.4 17.2 1.0
C2B A:HAS603 4.4 17.0 1.0
C3A A:HAS603 4.4 16.2 1.0
C3C A:HAS603 4.4 18.1 1.0
ND1 A:HIS384 4.5 24.6 1.0
CG A:HIS384 4.5 24.4 1.0
CU A:CU601 4.9 22.6 1.0
ND2 A:ASN366 4.9 18.3 1.0

Reference:

W.Mcdonald, C.Funatogawa, Y.Li, I.Szundi, Y.Chen, J.A.Fee, C.D.Stout, O.Einarsdottir. Ligand Access to the Active Site in Thermus Thermophilusba(3) and Bovine Heart Aa(3) Cytochrome Oxidases. Biochemistry V. 52 640 2013.
ISSN: ISSN 0006-2960
PubMed: 23282175
DOI: 10.1021/BI301358A
Page generated: Sun Dec 13 15:35:41 2020

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