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Iron in PDB 1y0p: Flavocytochrome C3 with Mesaconate Bound

Enzymatic activity of Flavocytochrome C3 with Mesaconate Bound

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

Protein crystallography data

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

Other elements in 1y0p:

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

Sodium (Na) 1 atom

Iron Binding Sites:

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 1y0p

Go back to Iron Binding Sites List in 1y0p
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 1y0p

Go back to Iron Binding Sites List in 1y0p
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 1y0p

Go back to Iron Binding Sites List in 1y0p
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 1y0p

Go back to Iron Binding Sites List in 1y0p
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

Reference:

C.Wardrope, C.G.Mowat, G.A.Reid, S.K.Chapman. Electrocatalytic Generation of Chiral Fumarate Derivatives By Flavocytochrome C3 To Be Published.
Page generated: Sun Dec 13 14:36:30 2020

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