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

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

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

Protein crystallography data

The structure of Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 20 Mm Azide Solution For 2 Days, PDB code: 5zcp 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 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 183.320, 206.171, 177.625, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 19.7

Other elements in 5zcp:

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

Iron binding site 1 out of 6 in 5zcp

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Iron binding site 1 out of 6 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the 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 Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:24.6
occ:1.00
FE A:HEA601 0.0 24.6 1.0
NC A:HEA601 2.0 24.4 1.0
NE2 A:HIS378 2.0 21.4 1.0
NE2 A:HIS61 2.0 21.4 1.0
ND A:HEA601 2.0 24.5 1.0
NB A:HEA601 2.0 26.1 1.0
NA A:HEA601 2.0 24.9 1.0
CE1 A:HIS378 2.9 24.6 1.0
CE1 A:HIS61 3.0 24.1 1.0
CD2 A:HIS61 3.0 24.9 1.0
C4D A:HEA601 3.0 22.3 1.0
C1C A:HEA601 3.0 24.0 1.0
C4C A:HEA601 3.0 24.5 1.0
C4A A:HEA601 3.0 24.7 1.0
C4B A:HEA601 3.0 24.0 1.0
C1A A:HEA601 3.0 24.8 1.0
C1B A:HEA601 3.1 21.7 1.0
C1D A:HEA601 3.1 23.6 1.0
CD2 A:HIS378 3.1 25.7 1.0
CHB A:HEA601 3.4 26.2 1.0
CHC A:HEA601 3.4 23.8 1.0
CHA A:HEA601 3.4 23.1 1.0
CHD A:HEA601 3.5 23.6 1.0
ND1 A:HIS378 4.1 25.1 1.0
CG A:HIS61 4.1 22.6 1.0
CG A:HIS378 4.1 22.0 1.0
ND1 A:HIS61 4.1 23.9 1.0
C3A A:HEA601 4.2 23.2 1.0
C2A A:HEA601 4.3 23.8 1.0
C2D A:HEA601 4.3 21.6 1.0
C2C A:HEA601 4.3 23.4 1.0
C3B A:HEA601 4.3 23.8 1.0
C2B A:HEA601 4.3 24.4 1.0
C3C A:HEA601 4.3 22.7 1.0
C3D A:HEA601 4.3 24.1 1.0
OG A:SER382 4.9 27.8 0.5

Iron binding site 2 out of 6 in 5zcp

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Iron binding site 2 out of 6 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the 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 Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:23.0
occ:0.40
FE A:HEA602 0.0 23.0 0.4
FE A:HEA602 0.9 25.5 0.6
ND A:HEA602 1.4 23.0 0.6
NC A:HEA602 1.7 26.4 0.6
NB A:HEA602 2.0 21.7 0.4
ND A:HEA602 2.1 23.3 0.4
NA A:HEA602 2.1 22.4 0.4
NC A:HEA602 2.1 21.5 0.4
NE2 A:HIS376 2.1 28.6 1.0
N3 A:AZI606 2.2 23.3 0.6
N1 A:AZI607 2.2 24.3 0.4
C1D A:HEA602 2.3 23.9 0.6
C4C A:HEA602 2.4 25.8 0.6
NA A:HEA602 2.6 26.1 0.6
C4D A:HEA602 2.7 22.5 0.6
CHD A:HEA602 2.7 23.4 0.6
NB A:HEA602 2.8 26.0 0.6
C1C A:HEA602 3.0 25.6 0.6
C4B A:HEA602 3.0 22.8 0.4
C4D A:HEA602 3.0 23.3 0.4
C1B A:HEA602 3.1 24.1 0.4
C4C A:HEA602 3.1 21.8 0.4
C1A A:HEA602 3.1 21.0 0.4
CD2 A:HIS376 3.1 27.7 1.0
C1C A:HEA602 3.1 21.4 0.4
C4A A:HEA602 3.1 22.8 0.4
C1D A:HEA602 3.1 22.3 0.4
CE1 A:HIS376 3.2 27.5 1.0
N2 A:AZI607 3.2 27.9 0.4
N2 A:AZI606 3.2 24.0 0.6
C1A A:HEA602 3.3 24.8 0.6
CHA A:HEA602 3.4 22.9 0.6
CHC A:HEA602 3.4 21.3 0.4
CHA A:HEA602 3.4 22.4 0.4
CHB A:HEA602 3.5 22.5 0.4
C2D A:HEA602 3.5 22.4 0.6
CHD A:HEA602 3.5 22.7 0.4
C4B A:HEA602 3.7 24.8 0.6
CHC A:HEA602 3.7 23.9 0.6
C3D A:HEA602 3.7 23.4 0.6
C4A A:HEA602 3.7 26.9 0.6
C3C A:HEA602 3.8 24.4 0.6
C1B A:HEA602 3.9 25.0 0.6
N1 A:AZI607 3.9 24.3 0.6
C2C A:HEA602 4.0 25.6 0.6
C3D A:HEA602 4.2 22.9 0.4
C3B A:HEA602 4.2 21.1 0.4
C3C A:HEA602 4.2 21.6 0.4
CHB A:HEA602 4.3 26.7 0.6
C2D A:HEA602 4.3 23.6 0.4
C2B A:HEA602 4.3 24.3 0.4
C2A A:HEA602 4.3 20.6 0.4
CG A:HIS376 4.3 26.2 1.0
C3A A:HEA602 4.3 21.6 0.4
C2C A:HEA602 4.3 20.8 0.4
ND1 A:HIS376 4.3 26.0 1.0
N3 A:AZI607 4.3 20.2 0.4
N1 A:AZI606 4.4 22.4 0.6
N2 A:AZI607 4.5 29.3 0.6
CG1 A:VAL380 4.6 24.8 0.5
C2A A:HEA602 4.6 23.5 0.6
C3A A:HEA602 4.8 24.4 0.6
CMD A:HEA602 4.8 21.1 0.6
CU A:CU603 4.9 26.8 1.0
C3B A:HEA602 5.0 25.1 0.6
CAC A:HEA602 5.0 25.9 0.6

Iron binding site 3 out of 6 in 5zcp

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Iron binding site 3 out of 6 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the 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 Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:25.5
occ:0.60
FE A:HEA602 0.0 25.5 0.6
FE A:HEA602 0.9 23.0 0.4
NB A:HEA602 1.4 21.7 0.4
NA A:HEA602 1.7 22.4 0.4
N3 A:AZI606 2.0 23.3 0.6
NA A:HEA602 2.0 26.1 0.6
NB A:HEA602 2.0 26.0 0.6
NC A:HEA602 2.1 26.4 0.6
ND A:HEA602 2.1 23.0 0.6
NE2 A:HIS376 2.1 28.6 1.0
C1B A:HEA602 2.2 24.1 0.4
C4A A:HEA602 2.4 22.8 0.4
N1 A:AZI607 2.4 24.3 0.4
CHB A:HEA602 2.7 22.5 0.4
C4B A:HEA602 2.7 22.8 0.4
NC A:HEA602 2.7 21.5 0.4
N2 A:AZI606 2.8 24.0 0.6
ND A:HEA602 2.8 23.3 0.4
C1A A:HEA602 2.9 21.0 0.4
C4A A:HEA602 3.0 26.9 0.6
C1A A:HEA602 3.0 24.8 0.6
CE1 A:HIS376 3.0 27.5 1.0
C4D A:HEA602 3.0 22.5 0.6
C1C A:HEA602 3.1 25.6 0.6
C1B A:HEA602 3.1 25.0 0.6
C4B A:HEA602 3.1 24.8 0.6
C4C A:HEA602 3.1 25.8 0.6
C1D A:HEA602 3.1 23.9 0.6
CD2 A:HIS376 3.1 27.7 1.0
CHB A:HEA602 3.4 26.7 0.6
CHC A:HEA602 3.4 21.3 0.4
CHA A:HEA602 3.4 22.9 0.6
CHC A:HEA602 3.4 23.9 0.6
C1C A:HEA602 3.5 21.4 0.4
CHD A:HEA602 3.5 23.4 0.6
C2B A:HEA602 3.5 24.3 0.4
C4D A:HEA602 3.5 23.3 0.4
N2 A:AZI607 3.6 27.9 0.4
CHA A:HEA602 3.6 22.4 0.4
C3B A:HEA602 3.7 21.1 0.4
C3A A:HEA602 3.7 21.6 0.4
N1 A:AZI606 3.8 22.4 0.6
C4C A:HEA602 3.8 21.8 0.4
C1D A:HEA602 4.0 22.3 0.4
C2A A:HEA602 4.0 20.6 0.4
N1 A:AZI607 4.1 24.3 0.6
C3A A:HEA602 4.2 24.4 0.6
C2A A:HEA602 4.2 23.5 0.6
ND1 A:HIS376 4.2 26.0 1.0
C2C A:HEA602 4.3 25.6 0.6
C3D A:HEA602 4.3 23.4 0.6
CG A:HIS376 4.3 26.2 1.0
C2B A:HEA602 4.3 25.6 0.6
C3B A:HEA602 4.3 25.1 0.6
C2D A:HEA602 4.3 22.4 0.6
C3C A:HEA602 4.3 24.4 0.6
CHD A:HEA602 4.4 22.7 0.4
CA A:GLY355 4.8 28.1 1.0
N3 A:AZI607 4.8 20.2 0.4
C2C A:HEA602 4.8 20.8 0.4
C3D A:HEA602 4.8 22.9 0.4
N2 A:AZI607 4.9 29.3 0.6
C3C A:HEA602 4.9 21.6 0.4
CMB A:HEA602 4.9 24.1 0.4
CU A:CU603 5.0 26.8 1.0
CG1 A:VAL380 5.0 24.8 0.5

Iron binding site 4 out of 6 in 5zcp

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Iron binding site 4 out of 6 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the 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 Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe602

b:29.6
occ:1.00
FE N:HEA602 0.0 29.6 1.0
NE2 N:HIS61 1.9 26.1 1.0
NC N:HEA602 2.0 28.6 1.0
NA N:HEA602 2.0 31.4 1.0
NB N:HEA602 2.0 30.1 1.0
ND N:HEA602 2.0 30.8 1.0
NE2 N:HIS378 2.0 26.7 1.0
CE1 N:HIS378 2.9 27.7 1.0
CE1 N:HIS61 2.9 31.0 1.0
CD2 N:HIS61 3.0 31.9 1.0
C4B N:HEA602 3.0 28.8 1.0
C4A N:HEA602 3.0 30.1 1.0
C1A N:HEA602 3.0 30.1 1.0
C4D N:HEA602 3.0 28.3 1.0
C1C N:HEA602 3.0 29.3 1.0
C1D N:HEA602 3.0 31.9 1.0
C4C N:HEA602 3.0 29.4 1.0
C1B N:HEA602 3.0 31.6 1.0
CD2 N:HIS378 3.1 29.1 1.0
CHB N:HEA602 3.4 32.8 1.0
CHC N:HEA602 3.4 28.0 1.0
CHA N:HEA602 3.4 29.9 1.0
CHD N:HEA602 3.5 30.3 1.0
ND1 N:HIS378 4.1 29.0 1.0
ND1 N:HIS61 4.1 28.9 1.0
CG N:HIS61 4.1 28.1 1.0
CG N:HIS378 4.2 26.2 1.0
C3A N:HEA602 4.2 29.8 1.0
C2A N:HEA602 4.2 29.1 1.0
C3B N:HEA602 4.2 28.9 1.0
C2B N:HEA602 4.2 29.6 1.0
C2D N:HEA602 4.2 27.7 1.0
C3D N:HEA602 4.3 27.8 1.0
C3C N:HEA602 4.3 28.7 1.0
C2C N:HEA602 4.3 27.4 1.0
OG N:SER382 4.9 40.4 0.5
CE1 N:PHE377 5.0 29.8 1.0

Iron binding site 5 out of 6 in 5zcp

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Iron binding site 5 out of 6 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the 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 Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe603

b:24.6
occ:0.40
FE N:HEA603 0.0 24.6 0.4
FE N:HEA603 0.9 28.8 0.6
ND N:HEA603 1.4 27.4 0.6
NC N:HEA603 1.5 25.8 0.6
N1 N:AZI608 1.9 40.0 0.4
NB N:HEA603 2.0 22.4 0.4
NA N:HEA603 2.0 25.1 0.4
ND N:HEA603 2.1 23.9 0.4
NC N:HEA603 2.1 24.6 0.4
C1D N:HEA603 2.1 25.8 0.6
NE2 N:HIS376 2.2 30.9 1.0
N3 N:AZI607 2.2 28.7 0.6
N2 N:AZI608 2.3 29.1 0.4
C4C N:HEA603 2.3 28.6 0.6
CHD N:HEA603 2.5 24.8 0.6
C4D N:HEA603 2.7 27.1 0.6
NA N:HEA603 2.7 29.4 0.6
C1C N:HEA603 2.8 28.0 0.6
NB N:HEA603 2.8 30.6 0.6
C1B N:HEA603 3.0 25.9 0.4
C4A N:HEA603 3.0 24.2 0.4
C1A N:HEA603 3.0 23.0 0.4
C4B N:HEA603 3.0 22.2 0.4
C4D N:HEA603 3.0 24.6 0.4
C4C N:HEA603 3.1 22.9 0.4
C1D N:HEA603 3.1 23.5 0.4
C1C N:HEA603 3.1 24.0 0.4
CD2 N:HIS376 3.1 31.4 1.0
N2 N:AZI607 3.2 27.5 0.6
N3 N:AZI608 3.2 38.2 0.4
CE1 N:HIS376 3.2 32.0 1.0
C1A N:HEA603 3.4 27.1 0.6
CHA N:HEA603 3.4 25.6 0.6
CHB N:HEA603 3.4 24.2 0.4
CHA N:HEA603 3.4 23.0 0.4
CHD N:HEA603 3.5 23.2 0.4
C2D N:HEA603 3.5 26.3 0.6
CHC N:HEA603 3.5 21.6 0.4
C3C N:HEA603 3.6 27.4 0.6
C4B N:HEA603 3.6 30.2 0.6
CHC N:HEA603 3.7 28.6 0.6
C3D N:HEA603 3.7 29.1 0.6
C2C N:HEA603 3.8 31.7 0.6
C4A N:HEA603 3.9 28.7 0.6
C1B N:HEA603 4.0 29.1 0.6
N1 N:AZI608 4.1 26.3 0.6
C2D N:HEA603 4.2 25.7 0.4
C2B N:HEA603 4.2 25.9 0.4
C3C N:HEA603 4.3 24.3 0.4
C3A N:HEA603 4.3 25.6 0.4
C3B N:HEA603 4.3 24.4 0.4
C2A N:HEA603 4.3 25.8 0.4
C3D N:HEA603 4.3 23.9 0.4
C2C N:HEA603 4.3 23.4 0.4
N1 N:AZI607 4.3 23.5 0.6
CG N:HIS376 4.3 29.7 1.0
ND1 N:HIS376 4.3 29.7 1.0
CHB N:HEA603 4.4 27.2 0.6
CG1 N:VAL380 4.4 29.6 0.5
N2 N:AZI608 4.7 24.9 0.6
C2A N:HEA603 4.7 28.6 0.6
CMD N:HEA603 4.9 28.1 0.6
CAC N:HEA603 4.9 32.3 0.6
CU N:CU604 4.9 30.1 1.0
C3A N:HEA603 4.9 30.5 0.6
C3B N:HEA603 5.0 29.4 0.6

Iron binding site 6 out of 6 in 5zcp

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Iron binding site 6 out of 6 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the 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 Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 20 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe603

b:28.8
occ:0.60
FE N:HEA603 0.0 28.8 0.6
FE N:HEA603 0.9 24.6 0.4
NB N:HEA603 1.4 22.4 0.4
NA N:HEA603 1.6 25.1 0.4
NC N:HEA603 1.9 25.8 0.6
N1 N:AZI608 1.9 40.0 0.4
N3 N:AZI607 2.0 28.7 0.6
ND N:HEA603 2.0 27.4 0.6
NA N:HEA603 2.0 29.4 0.6
NB N:HEA603 2.0 30.6 0.6
NE2 N:HIS376 2.1 30.9 1.0
C1B N:HEA603 2.1 25.9 0.4
C4A N:HEA603 2.3 24.2 0.4
CHB N:HEA603 2.5 24.2 0.4
N2 N:AZI608 2.5 29.1 0.4
N2 N:AZI607 2.7 27.5 0.6
C4B N:HEA603 2.7 22.2 0.4
NC N:HEA603 2.8 24.6 0.4
ND N:HEA603 2.9 23.9 0.4
C1A N:HEA603 2.9 23.0 0.4
C1C N:HEA603 2.9 28.0 0.6
C1A N:HEA603 3.0 27.1 0.6
C4C N:HEA603 3.0 28.6 0.6
C4A N:HEA603 3.0 28.7 0.6
C1D N:HEA603 3.0 25.8 0.6
C4B N:HEA603 3.0 30.2 0.6
C4D N:HEA603 3.1 27.1 0.6
C1B N:HEA603 3.1 29.1 0.6
CE1 N:HIS376 3.1 32.0 1.0
CD2 N:HIS376 3.2 31.4 1.0
CHA N:HEA603 3.4 25.6 0.6
CHC N:HEA603 3.4 28.6 0.6
CHD N:HEA603 3.4 24.8 0.6
CHB N:HEA603 3.5 27.2 0.6
C2B N:HEA603 3.5 25.9 0.4
C1C N:HEA603 3.5 24.0 0.4
CHC N:HEA603 3.5 21.6 0.4
N3 N:AZI608 3.6 38.2 0.4
C3A N:HEA603 3.6 25.6 0.4
C4D N:HEA603 3.6 24.6 0.4
CHA N:HEA603 3.7 23.0 0.4
C3B N:HEA603 3.7 24.4 0.4
N1 N:AZI607 3.7 23.5 0.6
C2A N:HEA603 3.9 25.8 0.4
C4C N:HEA603 3.9 22.9 0.4
C1D N:HEA603 4.0 23.5 0.4
C2C N:HEA603 4.2 31.7 0.6
C3C N:HEA603 4.2 27.4 0.6
C3A N:HEA603 4.2 30.5 0.6
C2A N:HEA603 4.2 28.6 0.6
C3B N:HEA603 4.3 29.4 0.6
ND1 N:HIS376 4.3 29.7 1.0
C2B N:HEA603 4.3 30.5 0.6
C2D N:HEA603 4.3 26.3 0.6
C3D N:HEA603 4.3 29.1 0.6
CG N:HIS376 4.3 29.7 1.0
CHD N:HEA603 4.4 23.2 0.4
N1 N:AZI608 4.4 26.3 0.6
CA N:GLY355 4.7 32.7 1.0
CMB N:HEA603 4.8 27.1 0.4
C2C N:HEA603 4.8 23.4 0.4
CMA N:HEA603 4.9 25.9 0.4
CU N:CU604 4.9 30.1 1.0
CG1 N:VAL380 4.9 29.6 0.5
C3D N:HEA603 4.9 23.9 0.4
C3C N:HEA603 5.0 24.3 0.4
CE1 N:HIS240 5.0 25.9 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: Tue Aug 6 13:02:55 2024

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