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Iron in PDB 1qjd: Flavocytochrome C3 From Shewanella Frigidimarina

Protein crystallography data

The structure of Flavocytochrome C3 From Shewanella Frigidimarina, PDB code: 1qjd was solved by P.Taylor, S.L.Pealing, G.A.Reid, S.K.Chapman, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.393, 91.946, 78.288, 90.00, 91.09, 90.00
R / Rfree (%) 19.2 / 26.7

Other elements in 1qjd:

The structure of Flavocytochrome C3 From Shewanella Frigidimarina also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Flavocytochrome C3 From Shewanella Frigidimarina (pdb code 1qjd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Flavocytochrome C3 From Shewanella Frigidimarina, PDB code: 1qjd:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1qjd

Go back to Iron Binding Sites List in 1qjd
Iron binding site 1 out of 4 in the Flavocytochrome C3 From Shewanella Frigidimarina


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1569

b:15.0
occ:1.00
FE A:HEC1569 0.0 15.0 1.0
ND A:HEC1569 1.9 9.7 1.0
NA A:HEC1569 1.9 17.2 1.0
NC A:HEC1569 2.0 18.8 1.0
NE2 A:HIS18 2.0 17.9 1.0
NE2 A:HIS75 2.0 18.6 1.0
NB A:HEC1569 2.1 17.3 1.0
CE1 A:HIS18 2.8 16.2 1.0
C1A A:HEC1569 2.9 19.8 1.0
C1D A:HEC1569 2.9 19.9 1.0
C4D A:HEC1569 3.0 10.2 1.0
CD2 A:HIS75 3.0 13.5 1.0
C4C A:HEC1569 3.0 16.4 1.0
C4A A:HEC1569 3.0 19.8 1.0
C1B A:HEC1569 3.1 18.3 1.0
C1C A:HEC1569 3.1 23.1 1.0
CE1 A:HIS75 3.1 16.1 1.0
C4B A:HEC1569 3.1 17.3 1.0
CD2 A:HIS18 3.2 15.5 1.0
CHD A:HEC1569 3.3 15.7 1.0
CHA A:HEC1569 3.3 22.6 1.0
CHB A:HEC1569 3.4 19.3 1.0
CHC A:HEC1569 3.5 17.5 1.0
ND1 A:HIS18 4.0 12.7 1.0
CG A:HIS75 4.1 15.6 1.0
ND1 A:HIS75 4.2 13.3 1.0
C2D A:HEC1569 4.2 23.3 1.0
C2A A:HEC1569 4.2 13.8 1.0
C3D A:HEC1569 4.2 18.9 1.0
CG A:HIS18 4.2 13.0 1.0
C3A A:HEC1569 4.2 21.0 1.0
C3C A:HEC1569 4.3 21.0 1.0
C2C A:HEC1569 4.3 16.9 1.0
C2B A:HEC1569 4.3 16.3 1.0
C3B A:HEC1569 4.4 21.1 1.0
O A:HOH2025 4.8 24.9 1.0

Iron binding site 2 out of 4 in 1qjd

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Iron binding site 2 out of 4 in the Flavocytochrome C3 From Shewanella Frigidimarina


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1570

b:18.1
occ:1.00
FE A:HEC1570 0.0 18.1 1.0
NC A:HEC1570 1.9 11.8 1.0
ND A:HEC1570 1.9 13.0 1.0
NA A:HEC1570 2.0 12.2 1.0
NE2 A:HIS40 2.0 20.3 1.0
NB A:HEC1570 2.0 12.5 1.0
NE2 A:HIS8 2.0 16.9 1.0
CE1 A:HIS40 2.8 10.2 1.0
C4C A:HEC1570 2.9 23.2 1.0
C1C A:HEC1570 2.9 18.9 1.0
C1D A:HEC1570 2.9 14.5 1.0
CE1 A:HIS8 3.0 18.2 1.0
C4D A:HEC1570 3.0 17.5 1.0
C4B A:HEC1570 3.0 18.5 1.0
C1A A:HEC1570 3.0 15.4 1.0
C4A A:HEC1570 3.0 19.3 1.0
CD2 A:HIS8 3.1 20.9 1.0
C1B A:HEC1570 3.1 13.5 1.0
CD2 A:HIS40 3.1 15.0 1.0
CHD A:HEC1570 3.3 18.5 1.0
CHC A:HEC1570 3.3 19.6 1.0
CHA A:HEC1570 3.4 13.4 1.0
CHB A:HEC1570 3.5 15.3 1.0
ND1 A:HIS40 4.0 18.7 1.0
ND1 A:HIS8 4.1 18.4 1.0
C2C A:HEC1570 4.2 27.5 1.0
C3C A:HEC1570 4.2 26.8 1.0
CG A:HIS40 4.2 14.5 1.0
CG A:HIS8 4.2 18.4 1.0
C2D A:HEC1570 4.2 23.7 1.0
C3D A:HEC1570 4.2 26.6 1.0
C2A A:HEC1570 4.3 16.8 1.0
C3A A:HEC1570 4.3 19.3 1.0
C3B A:HEC1570 4.3 11.9 1.0
C2B A:HEC1570 4.3 10.6 1.0

Iron binding site 3 out of 4 in 1qjd

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Iron binding site 3 out of 4 in the Flavocytochrome C3 From Shewanella Frigidimarina


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1571

b:15.4
occ:1.00
FE A:HEC1571 0.0 15.4 1.0
ND A:HEC1571 1.9 13.6 1.0
NC A:HEC1571 2.0 11.3 1.0
NA A:HEC1571 2.0 18.3 1.0
NB A:HEC1571 2.0 12.3 1.0
NE2 A:HIS72 2.1 11.2 1.0
NE2 A:HIS58 2.1 13.5 1.0
CD2 A:HIS72 3.0 11.1 1.0
C4D A:HEC1571 3.0 16.5 1.0
C1D A:HEC1571 3.0 19.2 1.0
C4C A:HEC1571 3.0 11.1 1.0
CD2 A:HIS58 3.0 14.9 1.0
C1B A:HEC1571 3.0 15.3 1.0
C1C A:HEC1571 3.0 8.3 1.0
C4B A:HEC1571 3.0 16.3 1.0
C1A A:HEC1571 3.0 19.8 1.0
C4A A:HEC1571 3.0 15.7 1.0
CE1 A:HIS58 3.1 20.1 1.0
CE1 A:HIS72 3.1 14.2 1.0
CHD A:HEC1571 3.4 12.8 1.0
CHB A:HEC1571 3.4 10.1 1.0
CHA A:HEC1571 3.4 15.0 1.0
CHC A:HEC1571 3.4 11.2 1.0
CG A:HIS72 4.1 10.9 1.0
ND1 A:HIS72 4.2 14.1 1.0
ND1 A:HIS58 4.2 10.9 1.0
CG A:HIS58 4.2 9.8 1.0
C2D A:HEC1571 4.2 12.3 1.0
C3D A:HEC1571 4.2 15.3 1.0
C2C A:HEC1571 4.2 9.4 1.0
C3C A:HEC1571 4.3 8.4 1.0
C2B A:HEC1571 4.3 12.0 1.0
C3B A:HEC1571 4.3 13.2 1.0
C3A A:HEC1571 4.3 19.0 1.0
C2A A:HEC1571 4.3 19.4 1.0
CG1 A:VAL46 4.9 15.9 1.0

Iron binding site 4 out of 4 in 1qjd

Go back to Iron Binding Sites List in 1qjd
Iron binding site 4 out of 4 in the Flavocytochrome C3 From Shewanella Frigidimarina


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1572

b:12.0
occ:1.00
FE A:HEC1572 0.0 12.0 1.0
ND A:HEC1572 1.9 9.6 1.0
NC A:HEC1572 2.0 10.6 1.0
NE2 A:HIS61 2.0 16.4 1.0
NB A:HEC1572 2.0 11.0 1.0
NA A:HEC1572 2.0 9.6 1.0
NE2 A:HIS86 2.1 16.8 1.0
C4D A:HEC1572 2.9 12.4 1.0
C1D A:HEC1572 3.0 8.8 1.0
CE1 A:HIS61 3.0 8.7 1.0
C4C A:HEC1572 3.0 13.9 1.0
C1A A:HEC1572 3.0 16.8 1.0
C1C A:HEC1572 3.0 14.7 1.0
CD2 A:HIS61 3.0 9.9 1.0
C4B A:HEC1572 3.0 10.6 1.0
CE1 A:HIS86 3.0 17.0 1.0
C1B A:HEC1572 3.1 10.7 1.0
C4A A:HEC1572 3.1 14.6 1.0
CD2 A:HIS86 3.1 12.7 1.0
CHA A:HEC1572 3.3 17.0 1.0
CHD A:HEC1572 3.4 12.0 1.0
CHC A:HEC1572 3.4 19.9 1.0
CHB A:HEC1572 3.5 12.7 1.0
ND1 A:HIS61 4.1 13.4 1.0
CG A:HIS61 4.2 14.6 1.0
ND1 A:HIS86 4.2 16.7 1.0
C3D A:HEC1572 4.2 10.5 1.0
C2D A:HEC1572 4.2 9.2 1.0
CG A:HIS86 4.2 12.7 1.0
C2C A:HEC1572 4.2 12.6 1.0
C3C A:HEC1572 4.2 11.9 1.0
C2A A:HEC1572 4.3 11.9 1.0
C3B A:HEC1572 4.3 8.3 1.0
C3A A:HEC1572 4.3 15.1 1.0
C2B A:HEC1572 4.3 13.7 1.0

Reference:

P.Taylor, S.L.Pealing, G.A.Reid, S.K.Chapman, M.D.Walkinshaw. Structural and Mechanistic Mapping of A Unique Fumarate Reductase Nat.Struct.Biol. V. 6 1108 1999.
ISSN: ISSN 1072-8368
PubMed: 10581550
DOI: 10.1038/70045
Page generated: Sat Aug 3 13:29:02 2024

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