Iron in PDB 1y0p: Flavocytochrome C3 with Mesaconate Bound

All present enzymatic activity of Flavocytochrome C3 with Mesaconate Bound:
1.3.99.1;

The structure of Flavocytochrome C3 with Mesaconate Bound, PDB code: 1y0p was solved by C.G.Mowat, C.Wardrope, 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)	24.00 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.449, 91.687, 78.287, 90.00, 91.13, 90.00
R / Rfree (%)	15.1 / 18.4

The structure of Flavocytochrome C3 with Mesaconate Bound also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Flavocytochrome C3 with Mesaconate Bound (pdb code 1y0p). 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 with Mesaconate Bound, PDB code: 1y0p:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Flavocytochrome C3 with Mesaconate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Flavocytochrome C3 with Mesaconate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:14.3 occ:1.00 FE A:HEM801 0.0 14.3 1.0 NA A:HEM801 2.0 15.1 1.0 NC A:HEM801 2.0 16.8 1.0 NE2 A:HIS75 2.0 16.6 1.0 NE2 A:HIS18 2.0 16.1 1.0 NB A:HEM801 2.0 12.5 1.0 ND A:HEM801 2.0 10.8 1.0 CE1 A:HIS18 3.0 15.9 1.0 CE1 A:HIS75 3.0 15.7 1.0 C4A A:HEM801 3.0 13.7 1.0 CD2 A:HIS75 3.0 14.9 1.0 C4C A:HEM801 3.0 14.6 1.0 C4D A:HEM801 3.0 13.8 1.0 C1A A:HEM801 3.0 15.4 1.0 C4B A:HEM801 3.0 16.8 1.0 C1D A:HEM801 3.0 14.6 1.0 C1B A:HEM801 3.0 16.4 1.0 CD2 A:HIS18 3.0 14.5 1.0 C1C A:HEM801 3.1 17.8 1.0 CHD A:HEM801 3.4 15.5 1.0 CHA A:HEM801 3.4 14.9 1.0 CHB A:HEM801 3.4 14.1 1.0 CHC A:HEM801 3.4 18.3 1.0 ND1 A:HIS18 4.1 15.4 1.0 ND1 A:HIS75 4.1 14.1 1.0 CG A:HIS75 4.1 14.9 1.0 CG A:HIS18 4.2 16.6 1.0 C3A A:HEM801 4.2 15.5 1.0 C2A A:HEM801 4.2 14.7 1.0 C2B A:HEM801 4.3 17.5 1.0 C3B A:HEM801 4.3 16.9 1.0 C3D A:HEM801 4.3 14.6 1.0 C2D A:HEM801 4.3 15.2 1.0 C3C A:HEM801 4.3 14.8 1.0 C2C A:HEM801 4.3 17.2 1.0 O A:HOH2015 4.8 25.4 1.0 CB A:ALA74 4.9 16.6 1.0

Iron binding site 2 out of 4 in the Flavocytochrome C3 with Mesaconate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Flavocytochrome C3 with Mesaconate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:17.9 occ:1.00 FE A:HEM802 0.0 17.9 1.0 NC A:HEM802 2.0 20.1 1.0 NA A:HEM802 2.0 19.1 1.0 NE2 A:HIS40 2.0 17.0 1.0 ND A:HEM802 2.0 15.6 1.0 NB A:HEM802 2.0 13.5 1.0 NE2 A:HIS8 2.1 16.5 1.0 CE1 A:HIS40 2.9 18.8 1.0 C4D A:HEM802 3.0 18.8 1.0 C1D A:HEM802 3.0 20.4 1.0 C1A A:HEM802 3.0 18.3 1.0 C4C A:HEM802 3.0 18.9 1.0 C4B A:HEM802 3.0 15.6 1.0 C1C A:HEM802 3.0 18.1 1.0 CE1 A:HIS8 3.0 17.2 1.0 C4A A:HEM802 3.1 17.1 1.0 C1B A:HEM802 3.1 16.9 1.0 CD2 A:HIS40 3.1 17.5 1.0 CD2 A:HIS8 3.1 18.7 1.0 CHA A:HEM802 3.4 18.9 1.0 CHD A:HEM802 3.4 19.4 1.0 CHC A:HEM802 3.4 16.4 1.0 CHB A:HEM802 3.4 16.0 1.0 ND1 A:HIS40 4.1 19.4 1.0 CG A:HIS40 4.2 18.9 1.0 ND1 A:HIS8 4.2 16.9 1.0 C2D A:HEM802 4.2 21.7 1.0 C3D A:HEM802 4.2 23.1 1.0 CG A:HIS8 4.2 17.9 1.0 C2A A:HEM802 4.2 19.4 1.0 C3B A:HEM802 4.2 15.9 1.0 C2B A:HEM802 4.2 15.4 1.0 C3C A:HEM802 4.3 19.0 1.0 C2C A:HEM802 4.3 18.4 1.0 C3A A:HEM802 4.3 18.0 1.0

Iron binding site 3 out of 4 in the Flavocytochrome C3 with Mesaconate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Flavocytochrome C3 with Mesaconate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:14.2 occ:1.00 FE A:HEM803 0.0 14.2 1.0 NB A:HEM803 2.0 15.4 1.0 NC A:HEM803 2.0 10.3 1.0 NA A:HEM803 2.0 12.1 1.0 NE2 A:HIS58 2.0 14.6 1.0 ND A:HEM803 2.0 16.2 1.0 NE2 A:HIS72 2.1 13.7 1.0 CE1 A:HIS58 3.0 15.4 1.0 C1B A:HEM803 3.0 14.9 1.0 C4B A:HEM803 3.0 11.9 1.0 C1C A:HEM803 3.0 12.5 1.0 C4C A:HEM803 3.0 13.1 1.0 CE1 A:HIS72 3.0 15.2 1.0 C4A A:HEM803 3.0 15.9 1.0 C1D A:HEM803 3.0 13.7 1.0 C1A A:HEM803 3.1 17.1 1.0 CD2 A:HIS72 3.1 12.8 1.0 CD2 A:HIS58 3.1 14.7 1.0 C4D A:HEM803 3.1 15.6 1.0 CHB A:HEM803 3.4 16.5 1.0 CHC A:HEM803 3.4 12.6 1.0 CHD A:HEM803 3.4 13.8 1.0 CHA A:HEM803 3.4 16.6 1.0 ND1 A:HIS58 4.1 14.0 1.0 ND1 A:HIS72 4.2 15.2 1.0 CG A:HIS58 4.2 13.4 1.0 CG A:HIS72 4.2 12.1 1.0 C2B A:HEM803 4.2 13.5 1.0 C3C A:HEM803 4.2 11.9 1.0 C2C A:HEM803 4.2 12.2 1.0 C3B A:HEM803 4.2 13.7 1.0 C3A A:HEM803 4.2 17.7 1.0 C2A A:HEM803 4.3 18.7 1.0 C2D A:HEM803 4.3 15.2 1.0 C3D A:HEM803 4.3 16.6 1.0 CG1 A:VAL46 5.0 16.8 1.0

Iron binding site 4 out of 4 in the Flavocytochrome C3 with Mesaconate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Flavocytochrome C3 with Mesaconate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:10.1 occ:1.00 FE A:HEM804 0.0 10.1 1.0 NB A:HEM804 2.0 9.5 1.0 NE2 A:HIS61 2.0 9.7 1.0 NC A:HEM804 2.0 8.8 1.0 NE2 A:HIS86 2.0 9.3 1.0 NA A:HEM804 2.0 9.0 1.0 ND A:HEM804 2.0 8.9 1.0 CE1 A:HIS61 3.0 10.1 1.0 CE1 A:HIS86 3.0 9.4 1.0 C1C A:HEM804 3.0 10.8 1.0 C1A A:HEM804 3.0 11.2 1.0 CD2 A:HIS86 3.0 11.9 1.0 C4B A:HEM804 3.0 8.9 1.0 C1B A:HEM804 3.0 9.9 1.0 C4D A:HEM804 3.0 9.5 1.0 CD2 A:HIS61 3.1 8.9 1.0 C4C A:HEM804 3.1 9.4 1.0 C4A A:HEM804 3.1 12.1 1.0 C1D A:HEM804 3.1 8.9 1.0 CHA A:HEM804 3.4 10.2 1.0 CHC A:HEM804 3.4 9.8 1.0 CHB A:HEM804 3.4 11.1 1.0 CHD A:HEM804 3.5 8.0 1.0 ND1 A:HIS61 4.1 10.2 1.0 ND1 A:HIS86 4.1 12.3 1.0 CG A:HIS86 4.2 11.4 1.0 CG A:HIS61 4.2 10.2 1.0 C2C A:HEM804 4.2 9.7 1.0 C3C A:HEM804 4.2 10.0 1.0 C3A A:HEM804 4.2 12.5 1.0 C2A A:HEM804 4.2 11.0 1.0 C2B A:HEM804 4.2 10.9 1.0 C3B A:HEM804 4.3 11.0 1.0 C3D A:HEM804 4.3 9.9 1.0 C2D A:HEM804 4.3 9.7 1.0

C.Wardrope, C.G.Mowat, G.A.Reid, S.K.Chapman. Electrocatalytic Generation of Chiral Fumarate Derivatives By Flavocytochrome C3 To Be Published.