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Iron in PDB 5z85: The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days

Enzymatic activity of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days

All present enzymatic activity of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days:
1.9.3.1;

Protein crystallography data

The structure of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days, PDB code: 5z85 was solved by A.Shimada, K.Hatano, H.Tadehara, T.Tsukihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 183.126, 205.893, 177.576, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 18.9

Other elements in 5z85:

The structure of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days 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 The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days (pdb code 5z85). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days, PDB code: 5z85:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 5z85

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Iron binding site 1 out of 6 in the The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days


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 Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:22.9
occ:1.00
FE A:HEA601 0.0 22.9 1.0
NC A:HEA601 1.9 23.1 1.0
ND A:HEA601 2.0 21.1 1.0
NE2 A:HIS61 2.0 19.7 1.0
NA A:HEA601 2.0 23.3 1.0
NE2 A:HIS378 2.0 20.8 1.0
NB A:HEA601 2.0 23.5 1.0
CE1 A:HIS378 2.9 21.9 1.0
CE1 A:HIS61 2.9 21.6 1.0
CD2 A:HIS61 3.0 22.5 1.0
C1D A:HEA601 3.0 21.6 1.0
C4C A:HEA601 3.0 21.4 1.0
C4D A:HEA601 3.0 19.7 1.0
C1B A:HEA601 3.0 21.8 1.0
C1A A:HEA601 3.0 22.2 1.0
C1C A:HEA601 3.0 21.5 1.0
C4A A:HEA601 3.0 24.1 1.0
CD2 A:HIS378 3.0 21.4 1.0
C4B A:HEA601 3.1 21.8 1.0
CHB A:HEA601 3.4 24.1 1.0
CHD A:HEA601 3.4 19.8 1.0
CHC A:HEA601 3.5 19.9 1.0
CHA A:HEA601 3.5 19.9 1.0
ND1 A:HIS378 4.1 22.0 1.0
CG A:HIS61 4.1 21.0 1.0
ND1 A:HIS61 4.1 21.3 1.0
CG A:HIS378 4.2 19.8 1.0
C2D A:HEA601 4.2 20.4 1.0
C3B A:HEA601 4.2 22.4 1.0
C3A A:HEA601 4.2 22.5 1.0
C2A A:HEA601 4.2 22.6 1.0
C3D A:HEA601 4.3 21.7 1.0
C2C A:HEA601 4.3 22.3 1.0
C3C A:HEA601 4.3 21.8 1.0
C2B A:HEA601 4.3 23.0 1.0
OG A:SER382 4.8 34.2 0.5

Iron binding site 2 out of 6 in 5z85

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Iron binding site 2 out of 6 in the The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days


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 Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:23.5
occ:0.50
FE A:HEA602 0.0 23.5 0.5
FE A:HEA602 0.9 22.2 0.5
ND A:HEA602 1.5 21.5 0.5
NC A:HEA602 1.7 19.9 0.5
ND A:HEA602 2.0 24.5 0.5
NB A:HEA602 2.0 22.9 0.5
NA A:HEA602 2.1 21.5 0.5
NC A:HEA602 2.1 22.2 0.5
NE2 A:HIS376 2.1 26.4 1.0
N1 A:AZI607 2.1 34.2 1.0
C1D A:HEA602 2.3 21.3 0.5
C4C A:HEA602 2.4 19.8 0.5
NA A:HEA602 2.6 23.9 0.5
CHD A:HEA602 2.7 19.2 0.5
C4D A:HEA602 2.7 21.2 0.5
NB A:HEA602 2.8 23.4 0.5
N2 A:AZI607 2.9 31.0 1.0
C4D A:HEA602 3.0 21.9 0.5
C1C A:HEA602 3.0 20.0 0.5
C4B A:HEA602 3.0 24.4 0.5
C1A A:HEA602 3.1 21.1 0.5
C1C A:HEA602 3.1 22.9 0.5
C4C A:HEA602 3.1 22.8 0.5
CD2 A:HIS376 3.1 25.0 1.0
C1D A:HEA602 3.1 22.1 0.5
C4A A:HEA602 3.1 22.5 0.5
CE1 A:HIS376 3.1 26.5 1.0
C1B A:HEA602 3.1 23.4 0.5
C1A A:HEA602 3.3 23.1 0.5
CHA A:HEA602 3.4 22.1 0.5
CHC A:HEA602 3.4 22.2 0.5
CHA A:HEA602 3.4 22.0 0.5
CHB A:HEA602 3.5 22.6 0.5
CHD A:HEA602 3.5 20.8 0.5
C2D A:HEA602 3.6 20.2 0.5
C4B A:HEA602 3.7 23.0 0.5
C3C A:HEA602 3.8 19.9 0.5
C3D A:HEA602 3.8 21.3 0.5
C4A A:HEA602 3.8 25.0 0.5
CHC A:HEA602 3.8 21.2 0.5
C1B A:HEA602 3.9 22.3 0.5
N1 A:AZI606 3.9 28.2 1.0
C2C A:HEA602 4.0 20.5 0.5
N3 A:AZI607 4.0 31.6 1.0
C3D A:HEA602 4.2 20.9 0.5
C2D A:HEA602 4.2 20.8 0.5
C3B A:HEA602 4.2 23.4 0.5
C3C A:HEA602 4.3 22.5 0.5
ND1 A:HIS376 4.3 25.4 1.0
C2A A:HEA602 4.3 22.0 0.5
CHB A:HEA602 4.3 23.8 0.5
CG A:HIS376 4.3 27.6 1.0
C3A A:HEA602 4.3 21.7 0.5
C2C A:HEA602 4.3 23.0 0.5
C2B A:HEA602 4.3 25.5 0.5
N2 A:AZI606 4.5 29.0 1.0
CG1 A:VAL380 4.6 19.1 0.5
C2A A:HEA602 4.6 22.8 0.5
CMD A:HEA602 4.8 18.8 0.5
C3A A:HEA602 4.9 23.1 0.5
CU A:CU603 4.9 25.2 1.0
C3B A:HEA602 5.0 23.2 0.5

Iron binding site 3 out of 6 in 5z85

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Iron binding site 3 out of 6 in the The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:22.2
occ:0.50
FE A:HEA602 0.0 22.2 0.5
FE A:HEA602 0.9 23.5 0.5
NB A:HEA602 1.4 22.9 0.5
NA A:HEA602 1.7 21.5 0.5
NA A:HEA602 2.0 23.9 0.5
NB A:HEA602 2.1 23.4 0.5
NC A:HEA602 2.1 19.9 0.5
ND A:HEA602 2.1 21.5 0.5
NE2 A:HIS376 2.1 26.4 1.0
N1 A:AZI607 2.1 34.2 1.0
C1B A:HEA602 2.3 23.4 0.5
C4A A:HEA602 2.4 22.5 0.5
N2 A:AZI607 2.5 31.0 1.0
CHB A:HEA602 2.7 22.6 0.5
C4B A:HEA602 2.7 24.4 0.5
NC A:HEA602 2.7 22.2 0.5
ND A:HEA602 2.8 24.5 0.5
C1A A:HEA602 2.9 21.1 0.5
CE1 A:HIS376 3.0 26.5 1.0
C1A A:HEA602 3.0 23.1 0.5
C1B A:HEA602 3.0 22.3 0.5
C4A A:HEA602 3.0 25.0 0.5
C4C A:HEA602 3.1 19.8 0.5
C1C A:HEA602 3.1 20.0 0.5
C1D A:HEA602 3.1 21.3 0.5
C4B A:HEA602 3.1 23.0 0.5
C4D A:HEA602 3.1 21.2 0.5
CD2 A:HIS376 3.2 25.0 1.0
CHB A:HEA602 3.4 23.8 0.5
CHC A:HEA602 3.4 22.2 0.5
C1C A:HEA602 3.4 22.9 0.5
N3 A:AZI607 3.5 31.6 1.0
CHA A:HEA602 3.5 22.1 0.5
C4D A:HEA602 3.5 21.9 0.5
CHC A:HEA602 3.5 21.2 0.5
CHD A:HEA602 3.5 19.2 0.5
C2B A:HEA602 3.6 25.5 0.5
CHA A:HEA602 3.7 22.0 0.5
C3A A:HEA602 3.7 21.7 0.5
C3B A:HEA602 3.7 23.4 0.5
C4C A:HEA602 3.9 22.8 0.5
C1D A:HEA602 3.9 22.1 0.5
C2A A:HEA602 3.9 22.0 0.5
ND1 A:HIS376 4.2 25.4 1.0
N1 A:AZI606 4.2 28.2 1.0
C2A A:HEA602 4.2 22.8 0.5
C3A A:HEA602 4.2 23.1 0.5
C2B A:HEA602 4.3 24.2 0.5
C2C A:HEA602 4.3 20.5 0.5
CG A:HIS376 4.3 27.6 1.0
C3C A:HEA602 4.3 19.9 0.5
C3B A:HEA602 4.3 23.2 0.5
C2D A:HEA602 4.3 20.2 0.5
C3D A:HEA602 4.3 21.3 0.5
CHD A:HEA602 4.4 20.8 0.5
CA A:GLY355 4.7 26.0 1.0
C2C A:HEA602 4.8 23.0 0.5
C3D A:HEA602 4.8 20.9 0.5
CU A:CU603 4.9 25.2 1.0
C3C A:HEA602 4.9 22.5 0.5
N2 A:AZI606 5.0 29.0 1.0
CMB A:HEA602 5.0 23.8 0.5
CMA A:HEA602 5.0 23.1 0.5

Iron binding site 4 out of 6 in 5z85

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Iron binding site 4 out of 6 in the The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe601

b:28.4
occ:1.00
FE N:HEA601 0.0 28.4 1.0
ND N:HEA601 1.9 26.5 1.0
NE2 N:HIS61 1.9 26.0 1.0
NB N:HEA601 2.0 29.1 1.0
NC N:HEA601 2.0 27.9 1.0
NE2 N:HIS378 2.0 28.2 1.0
NA N:HEA601 2.1 29.4 1.0
CE1 N:HIS378 2.9 25.6 1.0
CD2 N:HIS61 2.9 30.2 1.0
CE1 N:HIS61 3.0 29.4 1.0
C1D N:HEA601 3.0 28.1 1.0
CD2 N:HIS378 3.0 26.6 1.0
C4D N:HEA601 3.0 27.1 1.0
C1A N:HEA601 3.0 27.6 1.0
C4B N:HEA601 3.0 29.0 1.0
C4A N:HEA601 3.0 27.5 1.0
C1B N:HEA601 3.0 27.9 1.0
C1C N:HEA601 3.0 27.2 1.0
C4C N:HEA601 3.0 27.5 1.0
CHB N:HEA601 3.4 31.5 1.0
CHC N:HEA601 3.5 25.9 1.0
CHD N:HEA601 3.5 26.9 1.0
CHA N:HEA601 3.5 26.7 1.0
CG N:HIS61 4.1 28.4 1.0
ND1 N:HIS61 4.1 27.5 1.0
ND1 N:HIS378 4.1 27.3 1.0
CG N:HIS378 4.2 27.4 1.0
C3B N:HEA601 4.2 28.8 1.0
C2D N:HEA601 4.2 27.0 1.0
C2A N:HEA601 4.2 27.4 1.0
C3D N:HEA601 4.2 25.2 1.0
C3A N:HEA601 4.2 28.1 1.0
C2B N:HEA601 4.2 29.3 1.0
C2C N:HEA601 4.3 25.9 1.0
C3C N:HEA601 4.3 27.5 1.0
CE1 N:PHE377 4.9 29.4 1.0
OG N:SER382 5.0 43.3 0.5

Iron binding site 5 out of 6 in 5z85

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Iron binding site 5 out of 6 in the The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe602

b:25.6
occ:0.50
FE N:HEA602 0.0 25.6 0.5
FE N:HEA602 0.9 26.5 0.5
ND N:HEA602 1.5 24.6 0.5
NC N:HEA602 1.7 23.9 0.5
ND N:HEA602 2.0 26.4 0.5
NA N:HEA602 2.1 25.7 0.5
NB N:HEA602 2.1 24.0 0.5
NC N:HEA602 2.1 25.5 0.5
NE2 N:HIS376 2.1 30.9 1.0
N1 N:AZI607 2.1 38.2 1.0
C1D N:HEA602 2.2 23.7 0.5
C4C N:HEA602 2.3 23.4 0.5
CHD N:HEA602 2.5 21.4 0.5
NA N:HEA602 2.7 29.4 0.5
C4D N:HEA602 2.7 25.1 0.5
NB N:HEA602 2.9 26.5 0.5
C1C N:HEA602 3.0 25.0 0.5
N2 N:AZI607 3.0 34.3 1.0
C4D N:HEA602 3.0 27.4 0.5
C4C N:HEA602 3.1 24.4 0.5
C1B N:HEA602 3.1 25.1 0.5
C1C N:HEA602 3.1 26.4 0.5
C1D N:HEA602 3.1 26.1 0.5
C1A N:HEA602 3.1 25.5 0.5
C4B N:HEA602 3.1 25.4 0.5
CD2 N:HIS376 3.1 30.0 1.0
C4A N:HEA602 3.1 25.9 0.5
CE1 N:HIS376 3.1 31.4 1.0
CHA N:HEA602 3.4 24.8 0.5
C1A N:HEA602 3.4 27.9 0.5
CHA N:HEA602 3.4 25.6 0.5
CHB N:HEA602 3.5 24.5 0.5
CHC N:HEA602 3.5 25.4 0.5
CHD N:HEA602 3.5 23.5 0.5
C2D N:HEA602 3.5 25.0 0.5
C3C N:HEA602 3.6 23.4 0.5
C4B N:HEA602 3.7 26.7 0.5
C3D N:HEA602 3.8 24.1 0.5
CHC N:HEA602 3.8 26.0 0.5
C4A N:HEA602 3.8 29.2 0.5
C2C N:HEA602 3.9 25.2 0.5
N1 N:AZI606 3.9 35.1 1.0
C1B N:HEA602 4.1 28.1 0.5
N3 N:AZI607 4.2 32.4 1.0
C3C N:HEA602 4.2 25.7 0.5
C3D N:HEA602 4.2 25.9 0.5
C2D N:HEA602 4.3 26.8 0.5
C2C N:HEA602 4.3 25.9 0.5
C3B N:HEA602 4.3 24.9 0.5
C2B N:HEA602 4.3 25.6 0.5
ND1 N:HIS376 4.3 28.1 1.0
CG N:HIS376 4.3 28.0 1.0
C2A N:HEA602 4.3 25.8 0.5
C3A N:HEA602 4.3 24.8 0.5
CHB N:HEA602 4.4 29.0 0.5
CG1 N:VAL380 4.5 27.2 0.5
N2 N:AZI606 4.6 33.5 1.0
C2A N:HEA602 4.7 25.7 0.5
CMD N:HEA602 4.9 24.8 0.5
CAC N:HEA602 4.9 23.1 0.5
CU N:CU603 4.9 28.8 1.0
C3A N:HEA602 4.9 28.5 0.5

Iron binding site 6 out of 6 in 5z85

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Iron binding site 6 out of 6 in the The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Structure of Azide-Bound Cytochrome C Oxidase Determined Using the Another Batch Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe602

b:26.5
occ:0.50
FE N:HEA602 0.0 26.5 0.5
FE N:HEA602 0.9 25.6 0.5
NB N:HEA602 1.5 24.0 0.5
NA N:HEA602 1.6 25.7 0.5
N1 N:AZI607 2.0 38.2 1.0
NC N:HEA602 2.0 23.9 0.5
NA N:HEA602 2.0 29.4 0.5
ND N:HEA602 2.1 24.6 0.5
NB N:HEA602 2.1 26.5 0.5
NE2 N:HIS376 2.1 30.9 1.0
C1B N:HEA602 2.2 25.1 0.5
C4A N:HEA602 2.4 25.9 0.5
CHB N:HEA602 2.5 24.5 0.5
N2 N:AZI607 2.5 34.3 1.0
C4B N:HEA602 2.7 25.4 0.5
NC N:HEA602 2.8 25.5 0.5
ND N:HEA602 2.8 26.4 0.5
C1A N:HEA602 2.9 25.5 0.5
C4A N:HEA602 3.0 29.2 0.5
C4C N:HEA602 3.0 23.4 0.5
C1A N:HEA602 3.0 27.9 0.5
C1C N:HEA602 3.0 25.0 0.5
CE1 N:HIS376 3.1 31.4 1.0
C1D N:HEA602 3.1 23.7 0.5
C4D N:HEA602 3.1 25.1 0.5
C4B N:HEA602 3.1 26.7 0.5
C1B N:HEA602 3.1 28.1 0.5
CD2 N:HIS376 3.2 30.0 1.0
CHA N:HEA602 3.4 24.8 0.5
CHD N:HEA602 3.4 21.4 0.5
C1C N:HEA602 3.5 26.4 0.5
CHB N:HEA602 3.5 29.0 0.5
C2B N:HEA602 3.5 25.6 0.5
CHC N:HEA602 3.5 25.4 0.5
CHC N:HEA602 3.5 26.0 0.5
N3 N:AZI607 3.6 32.4 1.0
C4D N:HEA602 3.6 27.4 0.5
CHA N:HEA602 3.7 25.6 0.5
C3A N:HEA602 3.7 24.8 0.5
C3B N:HEA602 3.7 24.9 0.5
C4C N:HEA602 3.9 24.4 0.5
C2A N:HEA602 3.9 25.8 0.5
C1D N:HEA602 4.0 26.1 0.5
C2A N:HEA602 4.2 25.7 0.5
C3C N:HEA602 4.2 23.4 0.5
C3A N:HEA602 4.2 28.5 0.5
C2C N:HEA602 4.2 25.2 0.5
ND1 N:HIS376 4.2 28.1 1.0
N1 N:AZI606 4.3 35.1 1.0
C3B N:HEA602 4.3 27.6 0.5
C2B N:HEA602 4.3 28.2 0.5
CG N:HIS376 4.3 28.0 1.0
C2D N:HEA602 4.4 25.0 0.5
C3D N:HEA602 4.4 24.1 0.5
CHD N:HEA602 4.5 23.5 0.5
CA N:GLY355 4.7 31.5 1.0
C2C N:HEA602 4.8 25.9 0.5
CMB N:HEA602 4.8 27.0 0.5
CU N:CU603 4.9 28.8 1.0
C3D N:HEA602 4.9 25.9 0.5
CMA N:HEA602 5.0 25.0 0.5
C3C N:HEA602 5.0 25.7 0.5
CE1 N:HIS240 5.0 23.8 1.0

Reference:

A.Shimada, K.Hatano, H.Tadehara, N.Yano, K.Shinzawa-Itoh, E.Yamashita, K.Muramoto, T.Tsukihara, S.Yoshikawa. X-Ray Structural Analyses of Azide-Bound Cytochromecoxidases Reveal That the H-Pathway Is Critically Important For the Proton-Pumping Activity. J. Biol. Chem. V. 293 14868 2018.
ISSN: ESSN 1083-351X
PubMed: 30077971
DOI: 10.1074/JBC.RA118.003123
Page generated: Sun Dec 13 16:19:01 2020

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