Iron in PDB 2b7s: R381K Mutant of Flavocytochrome C3

All present enzymatic activity of R381K Mutant of Flavocytochrome C3:
1.3.99.1;

The structure of R381K Mutant of Flavocytochrome C3, PDB code: 2b7s was solved by K.L.Pankhurst, C.G.Mowat, E.L.Rothery, C.S.Miles, M.D.Walkinshaw, G.A.Reid, S.K.Chapman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.12
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.228, 91.362, 78.193, 90.00, 91.26, 90.00
R / Rfree (%)	14.4 / 19.7

The structure of R381K Mutant of Flavocytochrome C3 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the R381K Mutant of Flavocytochrome C3 (pdb code 2b7s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the R381K Mutant of Flavocytochrome C3, PDB code: 2b7s:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the R381K Mutant of Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R381K Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:14.1 occ:1.00 FE A:HEM801 0.0 14.1 1.0 NE2 A:HIS18 2.0 9.9 1.0 NA A:HEM801 2.0 13.1 1.0 NE2 A:HIS75 2.1 12.0 1.0 NC A:HEM801 2.1 13.8 1.0 NB A:HEM801 2.1 14.1 1.0 ND A:HEM801 2.2 14.1 1.0 CE1 A:HIS18 2.9 9.6 1.0 CD2 A:HIS75 3.0 12.2 1.0 C4A A:HEM801 3.0 12.8 1.0 CD2 A:HIS18 3.0 11.4 1.0 C4C A:HEM801 3.1 14.1 1.0 C1B A:HEM801 3.1 13.5 1.0 C1A A:HEM801 3.1 14.9 1.0 CE1 A:HIS75 3.1 12.3 1.0 C1D A:HEM801 3.1 13.8 1.0 C1C A:HEM801 3.1 15.0 1.0 C4D A:HEM801 3.1 13.2 1.0 C4B A:HEM801 3.2 14.2 1.0 CHD A:HEM801 3.4 12.2 1.0 CHB A:HEM801 3.4 11.5 1.0 CHA A:HEM801 3.5 12.4 1.0 CHC A:HEM801 3.5 13.3 1.0 ND1 A:HIS18 4.1 10.3 1.0 CG A:HIS75 4.1 11.9 1.0 CG A:HIS18 4.2 11.0 1.0 ND1 A:HIS75 4.2 10.4 1.0 C3A A:HEM801 4.3 14.4 1.0 C2A A:HEM801 4.3 12.8 1.0 C3C A:HEM801 4.3 13.0 1.0 C2B A:HEM801 4.3 12.6 1.0 C2C A:HEM801 4.3 14.6 1.0 C3B A:HEM801 4.3 13.4 1.0 C2D A:HEM801 4.4 12.3 1.0 C3D A:HEM801 4.4 13.5 1.0 CB A:ALA74 4.8 12.7 1.0 O A:HOH2023 4.8 21.3 1.0

Iron binding site 2 out of 4 in the R381K Mutant of Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of R381K Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:14.7 occ:1.00 FE A:HEM802 0.0 14.7 1.0 NC A:HEM802 2.1 15.1 1.0 NB A:HEM802 2.1 13.8 1.0 NA A:HEM802 2.1 14.0 1.0 NE2 A:HIS40 2.1 10.4 1.0 NE2 A:HIS8 2.1 9.9 1.0 ND A:HEM802 2.1 16.0 1.0 CE1 A:HIS40 3.0 10.9 1.0 C4B A:HEM802 3.0 14.0 1.0 C4C A:HEM802 3.1 15.4 1.0 C1C A:HEM802 3.1 13.7 1.0 C1B A:HEM802 3.1 14.9 1.0 CD2 A:HIS8 3.1 11.4 1.0 C1A A:HEM802 3.1 14.5 1.0 CE1 A:HIS8 3.1 12.1 1.0 C4A A:HEM802 3.1 14.2 1.0 C1D A:HEM802 3.1 15.4 1.0 C4D A:HEM802 3.1 13.7 1.0 CD2 A:HIS40 3.1 9.6 1.0 CHC A:HEM802 3.4 13.4 1.0 CHD A:HEM802 3.4 13.7 1.0 CHA A:HEM802 3.4 13.5 1.0 CHB A:HEM802 3.5 12.3 1.0 ND1 A:HIS40 4.1 11.6 1.0 ND1 A:HIS8 4.2 11.8 1.0 CG A:HIS8 4.2 14.1 1.0 CG A:HIS40 4.2 12.9 1.0 C3B A:HEM802 4.3 13.5 1.0 C3C A:HEM802 4.3 15.9 1.0 C2B A:HEM802 4.3 14.8 1.0 C2C A:HEM802 4.3 14.8 1.0 C2A A:HEM802 4.3 12.2 1.0 C3A A:HEM802 4.3 14.3 1.0 C3D A:HEM802 4.3 16.9 1.0 C2D A:HEM802 4.4 14.7 1.0

Iron binding site 3 out of 4 in the R381K Mutant of Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of R381K Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:11.7 occ:1.00 FE A:HEM803 0.0 11.7 1.0 NB A:HEM803 2.0 11.7 1.0 NA A:HEM803 2.1 12.7 1.0 NE2 A:HIS72 2.1 5.1 1.0 NE2 A:HIS58 2.1 8.4 1.0 NC A:HEM803 2.1 10.7 1.0 ND A:HEM803 2.1 11.7 1.0 C1B A:HEM803 3.0 12.1 1.0 CE1 A:HIS72 3.1 7.0 1.0 C4A A:HEM803 3.1 11.8 1.0 CD2 A:HIS72 3.1 5.7 1.0 CE1 A:HIS58 3.1 7.0 1.0 C4B A:HEM803 3.1 11.3 1.0 C1A A:HEM803 3.1 12.8 1.0 C4D A:HEM803 3.1 13.5 1.0 C1C A:HEM803 3.1 10.3 1.0 CD2 A:HIS58 3.1 7.8 1.0 C4C A:HEM803 3.1 8.7 1.0 C1D A:HEM803 3.2 11.7 1.0 CHB A:HEM803 3.4 12.8 1.0 CHA A:HEM803 3.4 11.3 1.0 CHC A:HEM803 3.5 10.0 1.0 CHD A:HEM803 3.5 7.8 1.0 ND1 A:HIS72 4.2 7.7 1.0 ND1 A:HIS58 4.2 7.0 1.0 CG A:HIS72 4.2 8.5 1.0 C2B A:HEM803 4.2 10.5 1.0 CG A:HIS58 4.3 6.1 1.0 C3B A:HEM803 4.3 10.8 1.0 C3A A:HEM803 4.3 12.6 1.0 C2A A:HEM803 4.3 14.7 1.0 C2C A:HEM803 4.3 9.5 1.0 C3C A:HEM803 4.3 8.8 1.0 C3D A:HEM803 4.3 12.6 1.0 C2D A:HEM803 4.4 10.9 1.0 CG1 A:VAL46 4.9 11.2 1.0

Iron binding site 4 out of 4 in the R381K Mutant of Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of R381K Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:9.1 occ:1.00 FE A:HEM804 0.0 9.1 1.0 NB A:HEM804 2.0 8.2 1.0 NC A:HEM804 2.1 8.1 1.0 NA A:HEM804 2.1 7.8 1.0 NE2 A:HIS86 2.1 7.8 1.0 ND A:HEM804 2.1 7.6 1.0 NE2 A:HIS61 2.1 5.9 1.0 CD2 A:HIS86 3.0 9.2 1.0 C4B A:HEM804 3.0 9.9 1.0 C1C A:HEM804 3.0 6.9 1.0 C1B A:HEM804 3.1 9.1 1.0 CD2 A:HIS61 3.1 5.6 1.0 C4A A:HEM804 3.1 8.0 1.0 C1A A:HEM804 3.1 9.1 1.0 C4C A:HEM804 3.1 8.8 1.0 C4D A:HEM804 3.1 9.0 1.0 C1D A:HEM804 3.1 8.1 1.0 CE1 A:HIS86 3.1 7.7 1.0 CE1 A:HIS61 3.2 3.4 1.0 CHC A:HEM804 3.4 6.5 1.0 CHB A:HEM804 3.4 7.5 1.0 CHD A:HEM804 3.5 7.7 1.0 CHA A:HEM804 3.5 6.7 1.0 CG A:HIS86 4.2 9.7 1.0 ND1 A:HIS86 4.2 9.4 1.0 CG A:HIS61 4.2 6.8 1.0 ND1 A:HIS61 4.3 6.0 1.0 C2C A:HEM804 4.3 8.3 1.0 C2B A:HEM804 4.3 8.7 1.0 C3B A:HEM804 4.3 8.7 1.0 C3A A:HEM804 4.3 10.0 1.0 C2A A:HEM804 4.3 9.2 1.0 C3C A:HEM804 4.3 9.3 1.0 C3D A:HEM804 4.4 8.7 1.0 C2D A:HEM804 4.4 7.3 1.0

K.L.Pankhurst, C.G.Mowat, E.L.Rothery, J.M.Hudson, A.K.Jones, C.S.Miles, M.D.Walkinshaw, F.A.Armstrong, G.A.Reid, S.K.Chapman. A Proton Delivery Pathway in the Soluble Fumarate Reductase From Shewanella Frigidimarina. J.Biol.Chem. V. 281 20589 2006.
ISSN: ISSN 0021-9258
PubMed: 16699170
DOI: 10.1074/JBC.M603077200