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Iron in PDB 1q9i: The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina

Enzymatic activity of The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina

All present enzymatic activity of The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina:
1.3.99.1;

Protein crystallography data

The structure of The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina, PDB code: 1q9i 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) 24.00 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.290, 91.885, 78.310, 90.00, 91.50, 90.00
R / Rfree (%) 15.5 / 19.7

Other elements in 1q9i:

The structure of The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina (pdb code 1q9i). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina, PDB code: 1q9i:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1q9i

Go back to Iron Binding Sites List in 1q9i
Iron binding site 1 out of 4 in the The A251C:S430C Double Mutant of 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 The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:15.2
occ:1.00
FE A:HEM801 0.0 15.2 1.0
NE2 A:HIS75 2.0 18.3 1.0
NE2 A:HIS18 2.0 15.3 1.0
NA A:HEM801 2.0 15.4 1.0
NC A:HEM801 2.0 16.9 1.0
ND A:HEM801 2.0 13.3 1.0
NB A:HEM801 2.1 13.3 1.0
CE1 A:HIS18 2.9 14.0 1.0
CE1 A:HIS75 2.9 17.3 1.0
CD2 A:HIS75 3.0 15.9 1.0
CD2 A:HIS18 3.0 15.8 1.0
C4A A:HEM801 3.0 14.0 1.0
C1D A:HEM801 3.0 15.4 1.0
C4C A:HEM801 3.0 17.8 1.0
C4D A:HEM801 3.0 13.9 1.0
C1B A:HEM801 3.1 16.4 1.0
C1A A:HEM801 3.1 16.1 1.0
C1C A:HEM801 3.1 18.1 1.0
C4B A:HEM801 3.1 17.6 1.0
CHD A:HEM801 3.4 15.8 1.0
CHB A:HEM801 3.4 15.3 1.0
CHC A:HEM801 3.4 17.9 1.0
CHA A:HEM801 3.4 14.5 1.0
ND1 A:HIS18 4.1 15.1 1.0
ND1 A:HIS75 4.1 16.8 1.0
CG A:HIS75 4.1 17.9 1.0
CG A:HIS18 4.1 16.1 1.0
C3D A:HEM801 4.3 14.1 1.0
C3A A:HEM801 4.3 17.1 1.0
C2B A:HEM801 4.3 17.3 1.0
C2D A:HEM801 4.3 14.2 1.0
C3B A:HEM801 4.3 17.4 1.0
C2C A:HEM801 4.3 18.2 1.0
C3C A:HEM801 4.3 16.5 1.0
C2A A:HEM801 4.3 15.2 1.0
O A:HOH9992 4.8 27.2 1.0
CB A:ALA74 4.9 15.0 1.0

Iron binding site 2 out of 4 in 1q9i

Go back to Iron Binding Sites List in 1q9i
Iron binding site 2 out of 4 in the The A251C:S430C Double Mutant of 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 The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe802

b:18.2
occ:1.00
FE A:HEM802 0.0 18.2 1.0
NE2 A:HIS40 2.0 18.8 1.0
NC A:HEM802 2.0 19.9 1.0
NA A:HEM802 2.0 19.3 1.0
NB A:HEM802 2.0 14.0 1.0
ND A:HEM802 2.0 15.4 1.0
NE2 A:HIS8 2.0 18.1 1.0
CE1 A:HIS40 2.9 16.9 1.0
C4D A:HEM802 3.0 17.6 1.0
CD2 A:HIS40 3.0 17.2 1.0
CE1 A:HIS8 3.0 15.8 1.0
C4B A:HEM802 3.0 15.4 1.0
C1D A:HEM802 3.0 19.2 1.0
C1A A:HEM802 3.0 17.1 1.0
C1B A:HEM802 3.0 16.8 1.0
C1C A:HEM802 3.0 17.9 1.0
C4C A:HEM802 3.0 18.3 1.0
CD2 A:HIS8 3.1 20.3 1.0
C4A A:HEM802 3.1 18.0 1.0
CHA A:HEM802 3.3 18.2 1.0
CHC A:HEM802 3.4 16.9 1.0
CHD A:HEM802 3.4 20.0 1.0
CHB A:HEM802 3.4 19.6 1.0
ND1 A:HIS40 4.1 17.9 1.0
CG A:HIS40 4.1 18.3 1.0
ND1 A:HIS8 4.1 20.0 1.0
CG A:HIS8 4.2 19.0 1.0
C3B A:HEM802 4.2 15.7 1.0
C3D A:HEM802 4.2 21.0 1.0
C2B A:HEM802 4.2 15.6 1.0
C2D A:HEM802 4.2 21.3 1.0
C2A A:HEM802 4.3 19.0 1.0
C2C A:HEM802 4.3 20.2 1.0
C3A A:HEM802 4.3 18.9 1.0
C3C A:HEM802 4.3 21.4 1.0

Iron binding site 3 out of 4 in 1q9i

Go back to Iron Binding Sites List in 1q9i
Iron binding site 3 out of 4 in the The A251C:S430C Double Mutant of 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 The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe803

b:14.8
occ:1.00
FE A:HEM803 0.0 14.8 1.0
NB A:HEM803 2.0 14.9 1.0
NA A:HEM803 2.0 14.0 1.0
NE2 A:HIS72 2.0 12.5 1.0
ND A:HEM803 2.0 15.9 1.0
NE2 A:HIS58 2.0 14.4 1.0
NC A:HEM803 2.0 11.7 1.0
CE1 A:HIS58 3.0 15.7 1.0
CE1 A:HIS72 3.0 14.0 1.0
C1A A:HEM803 3.0 19.8 1.0
C1B A:HEM803 3.0 14.1 1.0
C4B A:HEM803 3.0 12.4 1.0
C4A A:HEM803 3.0 17.2 1.0
CD2 A:HIS72 3.0 13.3 1.0
C1C A:HEM803 3.0 13.0 1.0
C4C A:HEM803 3.0 14.3 1.0
C4D A:HEM803 3.0 16.7 1.0
CD2 A:HIS58 3.1 14.8 1.0
C1D A:HEM803 3.1 16.0 1.0
CHA A:HEM803 3.4 16.1 1.0
CHB A:HEM803 3.4 16.5 1.0
CHC A:HEM803 3.4 13.4 1.0
CHD A:HEM803 3.5 13.3 1.0
ND1 A:HIS58 4.1 13.5 1.0
ND1 A:HIS72 4.1 13.1 1.0
CG A:HIS72 4.2 12.9 1.0
CG A:HIS58 4.2 13.6 1.0
C3A A:HEM803 4.2 18.9 1.0
C2A A:HEM803 4.2 19.2 1.0
C2B A:HEM803 4.2 15.4 1.0
C3C A:HEM803 4.2 11.5 1.0
C2C A:HEM803 4.3 11.9 1.0
C3B A:HEM803 4.3 15.1 1.0
C3D A:HEM803 4.3 16.8 1.0
C2D A:HEM803 4.3 16.4 1.0
CG1 A:VAL46 4.9 16.3 1.0

Iron binding site 4 out of 4 in 1q9i

Go back to Iron Binding Sites List in 1q9i
Iron binding site 4 out of 4 in the The A251C:S430C Double Mutant of 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 The A251C:S430C Double Mutant of Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe804

b:11.3
occ:1.00
FE A:HEM804 0.0 11.3 1.0
NE2 A:HIS86 2.0 11.1 1.0
NA A:HEM804 2.0 9.5 1.0
NE2 A:HIS61 2.0 12.0 1.0
NC A:HEM804 2.0 10.4 1.0
NB A:HEM804 2.1 10.9 1.0
ND A:HEM804 2.1 11.3 1.0
CE1 A:HIS86 3.0 10.7 1.0
CE1 A:HIS61 3.0 11.9 1.0
CD2 A:HIS86 3.0 11.8 1.0
C1A A:HEM804 3.0 13.7 1.0
C4A A:HEM804 3.0 12.6 1.0
CD2 A:HIS61 3.0 9.8 1.0
C1C A:HEM804 3.1 11.6 1.0
C4C A:HEM804 3.1 10.7 1.0
C1B A:HEM804 3.1 11.9 1.0
C4D A:HEM804 3.1 12.1 1.0
C4B A:HEM804 3.1 9.8 1.0
C1D A:HEM804 3.1 12.1 1.0
CHA A:HEM804 3.4 13.5 1.0
CHC A:HEM804 3.4 10.0 1.0
CHB A:HEM804 3.4 12.4 1.0
CHD A:HEM804 3.5 9.8 1.0
ND1 A:HIS86 4.1 12.7 1.0
ND1 A:HIS61 4.1 11.8 1.0
CG A:HIS86 4.2 11.6 1.0
CG A:HIS61 4.2 10.1 1.0
C3A A:HEM804 4.2 14.2 1.0
C2A A:HEM804 4.2 12.7 1.0
C2C A:HEM804 4.2 10.3 1.0
C3C A:HEM804 4.3 10.9 1.0
C2B A:HEM804 4.3 11.1 1.0
C3B A:HEM804 4.3 10.9 1.0
C2D A:HEM804 4.3 13.0 1.0
C3D A:HEM804 4.3 11.7 1.0

Reference:

E.L.Rothery, C.G.Mowat, C.S.Miles, S.Mott, M.D.Walkinshaw, G.A.Reid, S.K.Chapman. Probing Domain Mobility in A Flavocytochrome Biochemistry V. 42 4983 2004.
ISSN: ISSN 0006-2960
PubMed: 15109257
DOI: 10.1021/BI030261W
Page generated: Sat Aug 3 13:24:08 2024

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