Iron in PDB 1p2e: H61A Mutant of Flavocytochrome C3

All present enzymatic activity of H61A Mutant of Flavocytochrome C3:
1.3.99.1;

The structure of H61A Mutant of Flavocytochrome C3, PDB code: 1p2e was solved by E.L.Rothery, C.G.Mowat, 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)	17.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.351, 87.079, 79.678, 90.00, 109.38, 90.00
R / Rfree (%)	17.5 / 25.8

The structure of H61A Mutant of Flavocytochrome C3 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the H61A Mutant of Flavocytochrome C3 (pdb code 1p2e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the H61A Mutant of Flavocytochrome C3, PDB code: 1p2e:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the H61A 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 H61A Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:26.5 occ:1.00 FE A:HEM801 0.0 26.5 1.0 NC A:HEM801 2.0 27.8 1.0 NE2 A:HIS75 2.0 28.5 1.0 NA A:HEM801 2.0 26.4 1.0 NB A:HEM801 2.0 30.8 1.0 NE2 A:HIS18 2.0 19.3 1.0 ND A:HEM801 2.0 29.3 1.0 CE1 A:HIS75 2.9 26.4 1.0 C4C A:HEM801 3.0 31.6 1.0 CD2 A:HIS75 3.0 28.5 1.0 C4A A:HEM801 3.0 29.2 1.0 CD2 A:HIS18 3.0 22.7 1.0 CE1 A:HIS18 3.0 22.9 1.0 C1C A:HEM801 3.0 32.2 1.0 C1B A:HEM801 3.0 30.0 1.0 C1D A:HEM801 3.0 26.1 1.0 C1A A:HEM801 3.0 28.8 1.0 C4D A:HEM801 3.1 27.3 1.0 C4B A:HEM801 3.1 29.2 1.0 CHD A:HEM801 3.3 28.6 1.0 CHB A:HEM801 3.4 28.0 1.0 CHA A:HEM801 3.4 26.7 1.0 CHC A:HEM801 3.5 30.7 1.0 ND1 A:HIS75 4.0 27.2 1.0 CG A:HIS75 4.1 27.7 1.0 CG A:HIS18 4.2 25.2 1.0 ND1 A:HIS18 4.2 21.8 1.0 C3C A:HEM801 4.2 32.2 1.0 C3A A:HEM801 4.2 30.7 1.0 C2C A:HEM801 4.3 30.9 1.0 C2A A:HEM801 4.3 30.2 1.0 C2D A:HEM801 4.3 27.7 1.0 C3D A:HEM801 4.3 27.4 1.0 C3B A:HEM801 4.3 31.6 1.0 C2B A:HEM801 4.3 30.4 1.0 CB A:ALA74 4.8 25.9 1.0

Iron binding site 2 out of 4 in the H61A 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 H61A Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:30.2 occ:1.00 FE A:HEM802 0.0 30.2 1.0 NC A:HEM802 2.0 33.3 1.0 NE2 A:HIS8 2.0 21.3 1.0 NB A:HEM802 2.0 32.2 1.0 NA A:HEM802 2.0 31.6 1.0 ND A:HEM802 2.0 33.8 1.0 NE2 A:HIS40 2.0 27.0 1.0 CD2 A:HIS8 2.8 20.3 1.0 CE1 A:HIS40 2.8 28.4 1.0 C4C A:HEM802 3.0 35.3 1.0 C1C A:HEM802 3.0 35.1 1.0 C4B A:HEM802 3.0 32.4 1.0 C1B A:HEM802 3.0 31.6 1.0 C1D A:HEM802 3.0 33.8 1.0 C4D A:HEM802 3.0 35.1 1.0 C4A A:HEM802 3.0 31.6 1.0 C1A A:HEM802 3.0 31.8 1.0 CE1 A:HIS8 3.1 23.9 1.0 CD2 A:HIS40 3.2 28.0 1.0 CHC A:HEM802 3.3 33.6 1.0 CHD A:HEM802 3.4 33.7 1.0 CHA A:HEM802 3.4 32.4 1.0 CHB A:HEM802 3.4 29.3 1.0 ND1 A:HIS40 4.0 26.9 1.0 CG A:HIS8 4.0 22.8 1.0 ND1 A:HIS8 4.2 22.9 1.0 C3C A:HEM802 4.2 36.1 1.0 C3B A:HEM802 4.2 31.1 1.0 C2C A:HEM802 4.2 35.2 1.0 CG A:HIS40 4.2 27.9 1.0 C2B A:HEM802 4.2 32.2 1.0 C3A A:HEM802 4.2 31.8 1.0 C2A A:HEM802 4.2 30.9 1.0 C3D A:HEM802 4.2 38.3 1.0 C2D A:HEM802 4.2 36.2 1.0

Iron binding site 3 out of 4 in the H61A 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 H61A Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:28.9 occ:1.00 FE A:HEM803 0.0 28.9 1.0 ND A:HEM803 2.0 29.6 1.0 NB A:HEM803 2.0 31.1 1.0 NC A:HEM803 2.0 31.4 1.0 NA A:HEM803 2.0 32.4 1.0 NE2 A:HIS58 2.1 28.0 1.0 NE2 A:HIS72 2.1 22.1 1.0 CE1 A:HIS58 2.9 27.4 1.0 CD2 A:HIS72 2.9 21.9 1.0 C4B A:HEM803 3.0 31.2 1.0 C1D A:HEM803 3.0 31.4 1.0 C4C A:HEM803 3.0 31.2 1.0 C1C A:HEM803 3.0 29.5 1.0 C4D A:HEM803 3.0 31.5 1.0 C1B A:HEM803 3.0 30.6 1.0 C1A A:HEM803 3.0 31.6 1.0 C4A A:HEM803 3.1 30.4 1.0 CD2 A:HIS58 3.2 28.5 1.0 CE1 A:HIS72 3.2 23.4 1.0 CHC A:HEM803 3.4 30.4 1.0 CHD A:HEM803 3.4 30.0 1.0 CHA A:HEM803 3.4 32.2 1.0 CHB A:HEM803 3.5 31.0 1.0 ND1 A:HIS58 4.1 29.2 1.0 CG A:HIS72 4.1 24.8 1.0 C3B A:HEM803 4.2 31.2 1.0 C2B A:HEM803 4.2 30.7 1.0 C3D A:HEM803 4.2 30.8 1.0 C2C A:HEM803 4.2 31.1 1.0 ND1 A:HIS72 4.2 23.2 1.0 C3C A:HEM803 4.2 30.4 1.0 C2A A:HEM803 4.2 34.1 1.0 C2D A:HEM803 4.2 31.2 1.0 CG A:HIS58 4.3 29.7 1.0 C3A A:HEM803 4.3 31.6 1.0

Iron binding site 4 out of 4 in the H61A 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 H61A Mutant of Flavocytochrome C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:30.1 occ:1.00 FE A:HEM804 0.0 30.1 1.0 O A:ACY811 2.0 37.6 1.0 NA A:HEM804 2.0 32.2 1.0 NC A:HEM804 2.0 29.5 1.0 NB A:HEM804 2.0 32.1 1.0 ND A:HEM804 2.0 30.0 1.0 NE2 A:HIS86 2.1 30.6 1.0 C1A A:HEM804 3.0 33.8 1.0 C4B A:HEM804 3.0 30.0 1.0 C1D A:HEM804 3.0 28.8 1.0 C1B A:HEM804 3.0 31.5 1.0 C1C A:HEM804 3.0 30.6 1.0 C4C A:HEM804 3.0 30.0 1.0 C4A A:HEM804 3.0 32.1 1.0 CE1 A:HIS86 3.0 31.7 1.0 C4D A:HEM804 3.1 29.2 1.0 C A:ACY811 3.1 43.6 1.0 CD2 A:HIS86 3.1 29.4 1.0 CHD A:HEM804 3.4 29.6 1.0 CHC A:HEM804 3.4 29.6 1.0 CHA A:HEM804 3.4 30.3 1.0 CHB A:HEM804 3.5 31.0 1.0 OXT A:ACY811 3.9 40.2 1.0 CH3 A:ACY811 4.1 41.3 1.0 ND1 A:HIS86 4.2 30.4 1.0 C3B A:HEM804 4.2 33.5 1.0 C2A A:HEM804 4.2 34.1 1.0 CG A:HIS86 4.2 29.5 1.0 C2D A:HEM804 4.2 28.4 1.0 C3A A:HEM804 4.3 32.4 1.0 C2B A:HEM804 4.3 32.4 1.0 C2C A:HEM804 4.3 30.1 1.0 C3D A:HEM804 4.3 29.8 1.0 C3C A:HEM804 4.3 29.8 1.0

E.L.Rothery, C.G.Mowat, C.S.Miles, M.D.Walkinshaw, G.A.Reid, S.K.Chapman. Histidine 61: An Important Heme Ligand in the Soluble Fumarate Reductase From Shewanella Frigidimarina Biochemistry V. 42 13160 2003.
ISSN: ISSN 0006-2960
PubMed: 14609326
DOI: 10.1021/BI030159Z