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Iron in PDB 1qo8: The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase

Enzymatic activity of The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase

All present enzymatic activity of The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase:
1.3.99.1;

Protein crystallography data

The structure of The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase, PDB code: 1qo8 was solved by V.Bamford, P.S.Dobbin, D.J.Richardson, A.M.Hemmings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.770, 109.690, 227.320, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 28.1

Iron Binding Sites:

The binding sites of Iron atom in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase (pdb code 1qo8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase, PDB code: 1qo8:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1qo8

Go back to Iron Binding Sites List in 1qo8
Iron binding site 1 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


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 the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:37.1
occ:1.00
FE A:HEM601 0.0 37.1 1.0
NE2 A:HIS83 1.8 31.4 1.0
NE2 A:HIS59 1.9 33.8 1.0
NC A:HEM601 2.0 41.4 1.0
NB A:HEM601 2.0 41.1 1.0
NA A:HEM601 2.0 41.3 1.0
ND A:HEM601 2.0 39.2 1.0
CE1 A:HIS83 2.7 38.1 1.0
CE1 A:HIS59 2.9 35.2 1.0
C4B A:HEM601 3.0 40.6 1.0
CD2 A:HIS59 3.0 35.2 1.0
C1C A:HEM601 3.0 40.1 1.0
C1A A:HEM601 3.0 40.1 1.0
C4C A:HEM601 3.1 41.5 1.0
C4D A:HEM601 3.1 37.5 1.0
C4A A:HEM601 3.1 42.6 1.0
C1B A:HEM601 3.1 42.3 1.0
C1D A:HEM601 3.1 38.2 1.0
CD2 A:HIS83 3.1 34.6 1.0
CHC A:HEM601 3.3 37.0 1.0
CHA A:HEM601 3.3 38.0 1.0
CHD A:HEM601 3.5 39.0 1.0
CHB A:HEM601 3.5 39.8 1.0
ND1 A:HIS83 3.9 36.9 1.0
ND1 A:HIS59 4.1 34.2 1.0
CG A:HIS83 4.1 34.5 1.0
CG A:HIS59 4.1 36.0 1.0
C3B A:HEM601 4.2 43.6 1.0
C2C A:HEM601 4.2 41.5 1.0
C3C A:HEM601 4.3 42.3 1.0
C2A A:HEM601 4.3 43.6 1.0
C2B A:HEM601 4.3 39.3 1.0
C3D A:HEM601 4.3 39.5 1.0
C3A A:HEM601 4.3 38.9 1.0
C2D A:HEM601 4.3 38.9 1.0

Iron binding site 2 out of 8 in 1qo8

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Iron binding site 2 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


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 the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:40.8
occ:1.00
FE A:HEM602 0.0 40.8 1.0
NB A:HEM602 1.9 41.1 1.0
ND A:HEM602 2.0 40.7 1.0
NC A:HEM602 2.0 39.1 1.0
NA A:HEM602 2.0 44.0 1.0
NE2 A:HIS56 2.3 42.4 1.0
NE2 A:HIS69 2.3 38.8 1.0
C1B A:HEM602 2.9 42.5 1.0
C4C A:HEM602 3.0 37.7 1.0
C4A A:HEM602 3.0 40.8 1.0
CD2 A:HIS69 3.0 36.4 1.0
C1C A:HEM602 3.0 35.1 1.0
C4B A:HEM602 3.0 41.6 1.0
C1D A:HEM602 3.1 38.9 1.0
C4D A:HEM602 3.1 42.0 1.0
C1A A:HEM602 3.1 43.4 1.0
CD2 A:HIS56 3.2 40.5 1.0
CHB A:HEM602 3.2 42.8 1.0
CE1 A:HIS56 3.3 41.3 1.0
CHD A:HEM602 3.4 36.8 1.0
CE1 A:HIS69 3.4 36.6 1.0
CHC A:HEM602 3.5 37.1 1.0
CHA A:HEM602 3.5 40.0 1.0
C2B A:HEM602 4.1 41.6 1.0
C3B A:HEM602 4.2 39.0 1.0
C3C A:HEM602 4.2 39.6 1.0
CG A:HIS69 4.2 37.2 1.0
C3A A:HEM602 4.3 46.5 1.0
C2C A:HEM602 4.3 36.2 1.0
C2D A:HEM602 4.3 40.2 1.0
C3D A:HEM602 4.3 41.3 1.0
C2A A:HEM602 4.3 44.7 1.0
CG A:HIS56 4.4 42.7 1.0
ND1 A:HIS56 4.4 42.8 1.0
ND1 A:HIS69 4.4 38.1 1.0

Iron binding site 3 out of 8 in 1qo8

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Iron binding site 3 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


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 the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe603

b:42.0
occ:1.00
FE A:HEM603 0.0 42.0 1.0
NC A:HEM603 2.0 45.2 1.0
NB A:HEM603 2.0 44.3 1.0
NA A:HEM603 2.0 43.8 1.0
ND A:HEM603 2.0 45.8 1.0
NE2 A:HIS40 2.2 43.2 1.0
NE2 A:HIS9 2.3 47.7 1.0
CD2 A:HIS40 2.9 39.7 1.0
C4C A:HEM603 3.0 44.4 1.0
C1D A:HEM603 3.0 43.5 1.0
C1B A:HEM603 3.0 41.6 1.0
C4A A:HEM603 3.0 41.7 1.0
C4B A:HEM603 3.0 44.6 1.0
C1C A:HEM603 3.0 46.2 1.0
CD2 A:HIS9 3.1 45.7 1.0
C1A A:HEM603 3.1 45.8 1.0
C4D A:HEM603 3.1 46.6 1.0
CHD A:HEM603 3.3 42.6 1.0
CHB A:HEM603 3.3 42.5 1.0
CE1 A:HIS9 3.3 49.2 1.0
CE1 A:HIS40 3.3 41.1 1.0
CHC A:HEM603 3.5 44.9 1.0
CHA A:HEM603 3.5 45.0 1.0
CG A:HIS40 4.2 42.7 1.0
C3C A:HEM603 4.2 46.3 1.0
C2B A:HEM603 4.2 44.6 1.0
C3B A:HEM603 4.2 44.9 1.0
C2C A:HEM603 4.2 43.8 1.0
C2D A:HEM603 4.2 45.9 1.0
C3A A:HEM603 4.2 45.0 1.0
C2A A:HEM603 4.2 45.3 1.0
CG A:HIS9 4.3 48.9 1.0
C3D A:HEM603 4.3 46.4 1.0
ND1 A:HIS40 4.3 41.8 1.0
ND1 A:HIS9 4.4 46.6 1.0

Iron binding site 4 out of 8 in 1qo8

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Iron binding site 4 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


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 the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe604

b:42.0
occ:1.00
FE A:HEM604 0.0 42.0 1.0
NE2 A:HIS19 1.9 37.9 1.0
NC A:HEM604 2.0 44.1 1.0
NE2 A:HIS72 2.0 36.1 1.0
NA A:HEM604 2.0 45.7 1.0
ND A:HEM604 2.1 44.6 1.0
NB A:HEM604 2.1 45.9 1.0
CD2 A:HIS72 2.7 38.3 1.0
CD2 A:HIS19 2.9 42.2 1.0
CE1 A:HIS19 2.9 44.3 1.0
C4C A:HEM604 3.0 47.2 1.0
C4A A:HEM604 3.0 47.8 1.0
C1D A:HEM604 3.0 40.5 1.0
C1C A:HEM604 3.0 46.6 1.0
C1B A:HEM604 3.1 46.1 1.0
C4D A:HEM604 3.1 42.6 1.0
C4B A:HEM604 3.1 45.9 1.0
C1A A:HEM604 3.1 49.0 1.0
CE1 A:HIS72 3.2 36.5 1.0
CHD A:HEM604 3.3 42.5 1.0
CHB A:HEM604 3.4 43.9 1.0
CHC A:HEM604 3.5 43.0 1.0
CHA A:HEM604 3.5 41.4 1.0
CG A:HIS72 3.9 38.8 1.0
ND1 A:HIS19 4.0 40.7 1.0
CG A:HIS19 4.0 40.6 1.0
ND1 A:HIS72 4.2 34.3 1.0
C3C A:HEM604 4.2 46.8 1.0
C2C A:HEM604 4.2 44.5 1.0
C3A A:HEM604 4.3 47.5 1.0
C2D A:HEM604 4.3 42.5 1.0
C2B A:HEM604 4.3 49.8 1.0
C3D A:HEM604 4.3 42.3 1.0
C3B A:HEM604 4.3 47.5 1.0
C2A A:HEM604 4.3 49.4 1.0

Iron binding site 5 out of 8 in 1qo8

Go back to Iron Binding Sites List in 1qo8
Iron binding site 5 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


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 the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe601

b:55.9
occ:1.00
FE D:HEM601 0.0 55.9 1.0
NE2 D:HIS83 2.0 44.0 1.0
ND D:HEM601 2.0 60.6 1.0
NE2 D:HIS59 2.0 50.8 1.0
NB D:HEM601 2.0 61.7 1.0
NA D:HEM601 2.0 62.1 1.0
NC D:HEM601 2.0 59.9 1.0
CE1 D:HIS83 2.8 49.5 1.0
CD2 D:HIS59 2.9 55.0 1.0
C4D D:HEM601 3.0 61.5 1.0
C1D D:HEM601 3.0 59.7 1.0
C1C D:HEM601 3.0 60.2 1.0
C4B D:HEM601 3.0 62.6 1.0
C1B D:HEM601 3.0 62.7 1.0
C1A D:HEM601 3.0 60.1 1.0
C4A D:HEM601 3.1 61.2 1.0
C4C D:HEM601 3.1 59.1 1.0
CE1 D:HIS59 3.1 54.5 1.0
CD2 D:HIS83 3.2 49.6 1.0
CHA D:HEM601 3.4 61.0 1.0
CHC D:HEM601 3.4 60.7 1.0
CHB D:HEM601 3.4 62.1 1.0
CHD D:HEM601 3.4 59.1 1.0
ND1 D:HIS83 4.0 48.8 1.0
CG D:HIS59 4.1 55.3 1.0
CG D:HIS83 4.2 49.6 1.0
ND1 D:HIS59 4.2 54.8 1.0
C3D D:HEM601 4.2 62.1 1.0
C2D D:HEM601 4.2 61.4 1.0
C2B D:HEM601 4.3 63.6 1.0
C3B D:HEM601 4.3 63.6 1.0
C2A D:HEM601 4.3 62.3 1.0
C3C D:HEM601 4.3 60.9 1.0
C2C D:HEM601 4.3 59.1 1.0
C3A D:HEM601 4.3 62.0 1.0

Iron binding site 6 out of 8 in 1qo8

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Iron binding site 6 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


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 the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe602

b:71.6
occ:1.00
FE D:HEM602 0.0 71.6 1.0
ND D:HEM602 2.0 72.8 1.0
NB D:HEM602 2.0 71.5 1.0
NC D:HEM602 2.0 72.3 1.0
NA D:HEM602 2.0 75.7 1.0
NE2 D:HIS69 2.2 67.2 1.0
NE2 D:HIS56 2.3 72.1 1.0
C4B D:HEM602 3.0 72.7 1.0
C4D D:HEM602 3.0 76.7 1.0
CD2 D:HIS69 3.0 66.7 1.0
C1C D:HEM602 3.0 72.3 1.0
C1B D:HEM602 3.0 73.7 1.0
C1D D:HEM602 3.0 74.5 1.0
C4A D:HEM602 3.0 75.5 1.0
C1A D:HEM602 3.1 76.7 1.0
C4C D:HEM602 3.1 72.8 1.0
CE1 D:HIS56 3.1 72.4 1.0
CE1 D:HIS69 3.2 68.1 1.0
CD2 D:HIS56 3.3 70.0 1.0
CHC D:HEM602 3.4 71.8 1.0
CHA D:HEM602 3.4 75.8 1.0
CHD D:HEM602 3.4 74.0 1.0
CHB D:HEM602 3.5 74.7 1.0
C3B D:HEM602 4.2 73.3 1.0
CG D:HIS69 4.2 68.5 1.0
C3D D:HEM602 4.2 77.1 1.0
C2B D:HEM602 4.2 73.3 1.0
C2D D:HEM602 4.2 74.6 1.0
C2C D:HEM602 4.3 74.1 1.0
C3A D:HEM602 4.3 77.6 1.0
ND1 D:HIS69 4.3 67.3 1.0
C2A D:HEM602 4.3 79.1 1.0
C3C D:HEM602 4.3 73.8 1.0
ND1 D:HIS56 4.3 71.4 1.0
CG D:HIS56 4.4 70.5 1.0

Iron binding site 7 out of 8 in 1qo8

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Iron binding site 7 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe603

b:86.6
occ:1.00
FE D:HEM603 0.0 86.6 1.0
NA D:HEM603 2.0 89.7 1.0
NC D:HEM603 2.0 87.6 1.0
ND D:HEM603 2.0 89.3 1.0
NB D:HEM603 2.0 88.7 1.0
NE2 D:HIS40 2.2 78.2 1.0
NE2 D:HIS9 2.2 87.7 1.0
CE1 D:HIS9 2.8 87.7 1.0
CE1 D:HIS40 2.9 78.4 1.0
C4D D:HEM603 3.0 89.9 1.0
C1B D:HEM603 3.0 88.2 1.0
C4B D:HEM603 3.0 87.5 1.0
C1C D:HEM603 3.0 88.8 1.0
C1D D:HEM603 3.0 89.2 1.0
C1A D:HEM603 3.0 91.8 1.0
C4C D:HEM603 3.0 89.5 1.0
C4A D:HEM603 3.0 90.7 1.0
CHC D:HEM603 3.4 87.9 1.0
CD2 D:HIS40 3.4 78.1 1.0
CHA D:HEM603 3.4 90.8 1.0
CHB D:HEM603 3.4 89.8 1.0
CHD D:HEM603 3.4 89.1 1.0
CD2 D:HIS9 3.5 87.9 1.0
ND1 D:HIS9 4.0 87.9 1.0
ND1 D:HIS40 4.1 79.0 1.0
C3D D:HEM603 4.2 92.3 1.0
C3B D:HEM603 4.2 88.5 1.0
C2B D:HEM603 4.2 89.3 1.0
C2D D:HEM603 4.2 91.3 1.0
C2C D:HEM603 4.2 89.0 1.0
C2A D:HEM603 4.2 92.4 1.0
C3C D:HEM603 4.3 89.5 1.0
C3A D:HEM603 4.3 91.9 1.0
CG D:HIS40 4.4 78.8 1.0
CG D:HIS9 4.4 88.6 1.0

Iron binding site 8 out of 8 in 1qo8

Go back to Iron Binding Sites List in 1qo8
Iron binding site 8 out of 8 in the The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Structure of the Open Conformation of A Flavocytochrome C3 Fumarate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe604

b:80.9
occ:1.00
FE D:HEM604 0.0 80.9 1.0
ND D:HEM604 2.0 84.0 1.0
NC D:HEM604 2.0 85.5 1.0
NE2 D:HIS72 2.0 57.5 1.0
NA D:HEM604 2.0 84.0 1.0
NB D:HEM604 2.0 84.4 1.0
NE2 D:HIS19 2.1 82.4 1.0
CD2 D:HIS72 2.9 61.2 1.0
C4D D:HEM604 3.0 83.9 1.0
C1D D:HEM604 3.0 83.7 1.0
CE1 D:HIS19 3.0 82.6 1.0
C4B D:HEM604 3.0 84.1 1.0
C4C D:HEM604 3.0 85.9 1.0
C1C D:HEM604 3.0 85.6 1.0
C1B D:HEM604 3.0 83.8 1.0
C1A D:HEM604 3.1 84.4 1.0
C4A D:HEM604 3.1 84.0 1.0
CE1 D:HIS72 3.1 59.5 1.0
CD2 D:HIS19 3.2 84.1 1.0
CHC D:HEM604 3.4 85.1 1.0
CHA D:HEM604 3.4 84.1 1.0
CHD D:HEM604 3.4 85.7 1.0
CHB D:HEM604 3.4 83.1 1.0
CG D:HIS72 4.1 60.5 1.0
ND1 D:HIS19 4.2 83.2 1.0
ND1 D:HIS72 4.2 60.2 1.0
C3D D:HEM604 4.2 83.8 1.0
C2D D:HEM604 4.2 83.8 1.0
C3B D:HEM604 4.3 84.8 1.0
C2B D:HEM604 4.3 84.3 1.0
CG D:HIS19 4.3 84.5 1.0
C2C D:HEM604 4.3 86.7 1.0
C3C D:HEM604 4.3 87.2 1.0
C3A D:HEM604 4.3 84.2 1.0
C2A D:HEM604 4.3 84.6 1.0

Reference:

V.Bamford, P.S.Dobbin, D.J.Richardson, A.M.Hemmings. Open Conformation of A Flavocytochrome C3 Fumarate Reductase. Nat.Struct.Biol. V. 6 1104 1999.
ISSN: ISSN 1072-8368
PubMed: 10581549
DOI: 10.1038/70039
Page generated: Sat Aug 3 13:37:24 2024

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