Iron in PDB 1qjd: Flavocytochrome C3 From Shewanella Frigidimarina

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

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

Sodium

(Na)

1 atom

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 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 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 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 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

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