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Iron in PDB 3abl: Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset)

Enzymatic activity of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset)

All present enzymatic activity of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset):
1.9.3.1;

Protein crystallography data

The structure of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset), PDB code: 3abl was solved by H.Aoyama, K.Muramoto, K.Shinzawa-Itoh, E.Yamashita, T.Tsukihara, T.Ogura, S.Yoshikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 184.137, 207.514, 178.173, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 21

Other elements in 3abl:

The structure of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Zinc (Zn) 2 atoms
Copper (Cu) 6 atoms
Sodium (Na) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset) (pdb code 3abl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset), PDB code: 3abl:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3abl

Go back to Iron Binding Sites List in 3abl
Iron binding site 1 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe515

b:23.6
occ:1.00
 FE A:HEA515 0.0 23.6 1.0
NE2 A:HIS378 1.9 26.0 1.0
NB A:HEA515 1.9 23.1 1.0
NE2 A:HIS61 2.0 22.7 1.0
ND A:HEA515 2.0 22.1 1.0
NC A:HEA515 2.1 22.0 1.0
NA A:HEA515 2.2 19.3 1.0
CE1 A:HIS378 2.9 30.6 1.0
CE1 A:HIS61 2.9 26.3 1.0
CD2 A:HIS61 3.0 26.2 1.0
C4B A:HEA515 3.0 25.3 1.0
C1D A:HEA515 3.0 24.1 1.0
C1B A:HEA515 3.0 25.3 1.0
CD2 A:HIS378 3.0 22.7 1.0
C4C A:HEA515 3.0 23.3 1.0
C4D A:HEA515 3.1 20.1 1.0
C4A A:HEA515 3.1 21.1 1.0
C1C A:HEA515 3.1 23.4 1.0
C1A A:HEA515 3.1 22.2 1.0
CHD A:HEA515 3.3 23.1 1.0
CHB A:HEA515 3.4 22.1 1.0
CHC A:HEA515 3.5 18.7 1.0
CHA A:HEA515 3.6 19.5 1.0
ND1 A:HIS378 4.0 22.9 1.0
ND1 A:HIS61 4.0 17.9 1.0
CG A:HIS61 4.1 19.3 1.0
CG A:HIS378 4.1 24.3 1.0
C3B A:HEA515 4.2 20.3 1.0
C3A A:HEA515 4.2 19.9 1.0
C2B A:HEA515 4.2 16.8 1.0
C2A A:HEA515 4.3 20.9 1.0
C3D A:HEA515 4.3 24.7 1.0
C2D A:HEA515 4.3 20.9 1.0
C3C A:HEA515 4.3 25.0 1.0
C2C A:HEA515 4.3 23.1 1.0
CE2 A:PHE377 4.9 22.8 1.0

Iron binding site 2 out of 4 in 3abl

Go back to Iron Binding Sites List in 3abl
Iron binding site 2 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe516

b:22.9
occ:1.00
 FE A:HEA516 0.0 22.9 1.0
NB A:HEA516 2.0 23.1 1.0
ND A:HEA516 2.1 27.1 1.0
NE2 A:HIS376 2.1 20.7 1.0
NA A:HEA516 2.1 21.3 1.0
NC A:HEA516 2.1 20.4 1.0
O1 A:PER520 2.2 16.2 1.0
C4B A:HEA516 3.0 25.8 1.0
CE1 A:HIS376 3.0 25.0 1.0
C4A A:HEA516 3.0 19.4 1.0
C1D A:HEA516 3.1 26.5 1.0
C1B A:HEA516 3.1 23.6 1.0
C1A A:HEA516 3.1 18.6 1.0
C4C A:HEA516 3.1 22.6 1.0
C4D A:HEA516 3.1 24.2 1.0
CD2 A:HIS376 3.2 22.7 1.0
C1C A:HEA516 3.2 24.7 1.0
CHD A:HEA516 3.4 19.5 1.0
CHC A:HEA516 3.4 21.6 1.0
CHB A:HEA516 3.5 19.3 1.0
CHA A:HEA516 3.5 18.4 1.0
O2 A:PER520 3.8 19.0 1.0
ND1 A:HIS376 4.2 21.5 1.0
C3A A:HEA516 4.2 20.4 1.0
C3B A:HEA516 4.3 21.6 1.0
C2B A:HEA516 4.3 20.7 1.0
C2D A:HEA516 4.3 22.6 1.0
CG A:HIS376 4.3 20.9 1.0
C2A A:HEA516 4.3 19.9 1.0
C3D A:HEA516 4.3 24.3 1.0
C3C A:HEA516 4.4 25.0 1.0
C2C A:HEA516 4.4 22.1 1.0
CU A:CU517 4.9 24.5 1.0

Iron binding site 3 out of 4 in 3abl

Go back to Iron Binding Sites List in 3abl
Iron binding site 3 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe515

b:28.4
occ:1.00
 FE N:HEA515 0.0 28.4 1.0
NB N:HEA515 2.0 29.0 1.0
NE2 N:HIS378 2.0 27.2 1.0
ND N:HEA515 2.0 25.9 1.0
NE2 N:HIS61 2.0 26.9 1.0
NC N:HEA515 2.1 26.2 1.0
NA N:HEA515 2.2 27.7 1.0
CD2 N:HIS61 2.9 26.6 1.0
C1B N:HEA515 3.0 29.7 1.0
CD2 N:HIS378 3.0 26.8 1.0
CE1 N:HIS378 3.0 27.6 1.0
C1D N:HEA515 3.0 33.6 1.0
C4B N:HEA515 3.1 31.0 1.0
CE1 N:HIS61 3.1 29.1 1.0
C4D N:HEA515 3.1 27.0 1.0
C4A N:HEA515 3.1 28.2 1.0
C4C N:HEA515 3.1 32.9 1.0
C1A N:HEA515 3.1 27.6 1.0
C1C N:HEA515 3.2 26.4 1.0
CHB N:HEA515 3.4 26.5 1.0
CHD N:HEA515 3.4 28.4 1.0
CHA N:HEA515 3.6 26.2 1.0
CHC N:HEA515 3.6 26.5 1.0
CG N:HIS61 4.1 29.3 1.0
ND1 N:HIS378 4.1 30.1 1.0
ND1 N:HIS61 4.1 27.6 1.0
CG N:HIS378 4.1 25.9 1.0
C3B N:HEA515 4.2 28.6 1.0
C2B N:HEA515 4.2 30.9 1.0
C2A N:HEA515 4.3 28.7 1.0
C3A N:HEA515 4.3 29.6 1.0
C3D N:HEA515 4.3 22.1 1.0
C2D N:HEA515 4.3 27.0 1.0
C2C N:HEA515 4.4 23.6 1.0
C3C N:HEA515 4.4 23.1 1.0
CE2 N:PHE377 4.8 29.9 1.0

Iron binding site 4 out of 4 in 3abl

Go back to Iron Binding Sites List in 3abl
Iron binding site 4 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (15-S X-Ray Exposure Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe516

b:29.2
occ:1.00
 FE N:HEA516 0.0 29.2 1.0
ND N:HEA516 2.0 27.5 1.0
NB N:HEA516 2.0 29.7 1.0
NC N:HEA516 2.1 27.0 1.0
NA N:HEA516 2.1 28.8 1.0
NE2 N:HIS376 2.1 27.7 1.0
O1 N:PER520 2.3 21.0 1.0
C4D N:HEA516 3.0 27.4 1.0
C1C N:HEA516 3.0 26.9 1.0
C1B N:HEA516 3.0 29.0 1.0
C4B N:HEA516 3.0 29.6 1.0
C1A N:HEA516 3.0 25.0 1.0
CD2 N:HIS376 3.1 34.2 1.0
C4C N:HEA516 3.1 29.1 1.0
C1D N:HEA516 3.1 32.2 1.0
CE1 N:HIS376 3.2 33.4 1.0
C4A N:HEA516 3.2 29.1 1.0
CHA N:HEA516 3.4 25.7 1.0
CHC N:HEA516 3.4 29.0 1.0
CHB N:HEA516 3.5 26.1 1.0
CHD N:HEA516 3.6 28.4 1.0
O2 N:PER520 3.9 27.6 1.0
C2B N:HEA516 4.2 30.1 1.0
C2C N:HEA516 4.2 30.1 1.0
C3B N:HEA516 4.3 26.6 1.0
ND1 N:HIS376 4.3 30.9 1.0
CG N:HIS376 4.3 24.4 1.0
C3D N:HEA516 4.3 27.9 1.0
C2A N:HEA516 4.3 27.6 1.0
C3C N:HEA516 4.3 30.2 1.0
C2D N:HEA516 4.3 27.7 1.0
C3A N:HEA516 4.3 27.5 1.0
CU N:CU517 4.8 30.2 1.0

Reference:

H.Aoyama, K.Muramoto, K.Shinzawa-Itoh, K.Hirata, E.Yamashita, T.Tsukihara, T.Ogura, S.Yoshikawa. A Peroxide Bridge Between Fe and Cu Ions in the O2 Reduction Site of Fully Oxidized Cytochrome C Oxidase Could Suppress the Proton Pump Proc.Natl.Acad.Sci.Usa V. 106 2165 2009.
ISSN: ISSN 0027-8424
PubMed: 19164527
DOI: 10.1073/PNAS.0806391106
Page generated: Sun Dec 13 15:00:13 2020

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