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Iron in PDB 1kss: Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina

Enzymatic activity of Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina

All present enzymatic activity of Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina:
1.3.99.1;

Protein crystallography data

The structure of Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina, PDB code: 1kss was solved by K.L.Pankhurst, C.G.Mowat, C.S.Miles, D.Leys, 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) 10.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.632, 92.798, 79.056, 90.00, 91.02, 90.00
R / Rfree (%) 15.6 / 20.6

Other elements in 1kss:

The structure of Crystal Structure of HIS505ALA Mutant 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 Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina (pdb code 1kss). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina, PDB code: 1kss:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1kss

Go back to Iron Binding Sites List in 1kss
Iron binding site 1 out of 4 in the Crystal Structure of HIS505ALA Mutant 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 Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:14.4
occ:1.00
FE A:HEM801 0.0 14.4 1.0
NC A:HEM801 2.0 15.8 1.0
NA A:HEM801 2.0 15.4 1.0
NB A:HEM801 2.0 14.7 1.0
ND A:HEM801 2.0 13.6 1.0
NE2 A:HIS18 2.1 15.0 1.0
NE2 A:HIS75 2.1 17.7 1.0
CE1 A:HIS18 3.0 14.1 1.0
C4B A:HEM801 3.0 17.4 1.0
C4A A:HEM801 3.0 14.7 1.0
C1C A:HEM801 3.0 17.8 1.0
C4D A:HEM801 3.0 13.2 1.0
C1B A:HEM801 3.1 15.5 1.0
C4C A:HEM801 3.1 16.3 1.0
C1D A:HEM801 3.1 13.8 1.0
C1A A:HEM801 3.1 16.5 1.0
CD2 A:HIS75 3.1 15.8 1.0
CE1 A:HIS75 3.1 15.8 1.0
CD2 A:HIS18 3.2 14.7 1.0
CHB A:HEM801 3.4 15.4 1.0
CHC A:HEM801 3.4 17.6 1.0
CHA A:HEM801 3.4 14.9 1.0
CHD A:HEM801 3.4 14.2 1.0
ND1 A:HIS18 4.1 15.3 1.0
ND1 A:HIS75 4.2 16.0 1.0
C3B A:HEM801 4.3 17.5 1.0
CG A:HIS18 4.3 15.4 1.0
C3A A:HEM801 4.3 17.0 1.0
C2C A:HEM801 4.3 18.4 1.0
CG A:HIS75 4.3 16.0 1.0
C3C A:HEM801 4.3 17.6 1.0
C2B A:HEM801 4.3 17.0 1.0
C3D A:HEM801 4.3 13.3 1.0
C2A A:HEM801 4.3 16.5 1.0
C2D A:HEM801 4.3 13.2 1.0
O A:HOH2047 4.9 32.1 1.0

Iron binding site 2 out of 4 in 1kss

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Iron binding site 2 out of 4 in the Crystal Structure of HIS505ALA Mutant 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 Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe802

b:16.2
occ:1.00
FE A:HEM802 0.0 16.2 1.0
NA A:HEM802 2.0 16.6 1.0
NC A:HEM802 2.0 17.5 1.0
NB A:HEM802 2.0 13.9 1.0
ND A:HEM802 2.0 17.2 1.0
NE2 A:HIS8 2.1 14.3 1.0
NE2 A:HIS40 2.1 15.9 1.0
CE1 A:HIS40 3.0 16.4 1.0
CE1 A:HIS8 3.0 15.1 1.0
C4B A:HEM802 3.0 15.3 1.0
C1B A:HEM802 3.0 15.9 1.0
C1D A:HEM802 3.0 19.3 1.0
C4C A:HEM802 3.0 18.5 1.0
C4A A:HEM802 3.0 16.6 1.0
C4D A:HEM802 3.0 18.5 1.0
C1A A:HEM802 3.0 16.9 1.0
C1C A:HEM802 3.1 16.7 1.0
CD2 A:HIS8 3.1 16.2 1.0
CD2 A:HIS40 3.2 17.2 1.0
CHB A:HEM802 3.3 16.5 1.0
CHA A:HEM802 3.4 17.7 1.0
CHD A:HEM802 3.4 18.4 1.0
CHC A:HEM802 3.4 16.0 1.0
ND1 A:HIS8 4.2 15.7 1.0
ND1 A:HIS40 4.2 17.1 1.0
C2B A:HEM802 4.2 15.2 1.0
C3B A:HEM802 4.2 15.2 1.0
C3A A:HEM802 4.2 17.6 1.0
C2D A:HEM802 4.2 20.2 1.0
CG A:HIS8 4.3 15.9 1.0
C3D A:HEM802 4.3 20.4 1.0
C2A A:HEM802 4.3 17.5 1.0
C3C A:HEM802 4.3 19.6 1.0
C2C A:HEM802 4.3 18.4 1.0
CG A:HIS40 4.3 15.5 1.0

Iron binding site 3 out of 4 in 1kss

Go back to Iron Binding Sites List in 1kss
Iron binding site 3 out of 4 in the Crystal Structure of HIS505ALA Mutant 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 Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe803

b:13.9
occ:1.00
FE A:HEM803 0.0 13.9 1.0
NB A:HEM803 2.0 14.3 1.0
NC A:HEM803 2.0 12.7 1.0
ND A:HEM803 2.0 14.9 1.0
NA A:HEM803 2.0 14.3 1.0
NE2 A:HIS72 2.1 14.9 1.0
NE2 A:HIS58 2.2 14.1 1.0
C4C A:HEM803 3.0 13.7 1.0
C4B A:HEM803 3.0 15.0 1.0
C1B A:HEM803 3.0 15.8 1.0
C4A A:HEM803 3.0 15.0 1.0
C1C A:HEM803 3.0 12.8 1.0
C1D A:HEM803 3.1 15.4 1.0
C1A A:HEM803 3.1 17.1 1.0
C4D A:HEM803 3.1 15.7 1.0
CE1 A:HIS72 3.1 14.8 1.0
CE1 A:HIS58 3.1 12.5 1.0
CD2 A:HIS72 3.1 13.6 1.0
CD2 A:HIS58 3.3 13.5 1.0
CHB A:HEM803 3.4 15.2 1.0
CHA A:HEM803 3.4 16.5 1.0
CHC A:HEM803 3.4 14.6 1.0
CHD A:HEM803 3.4 14.2 1.0
ND1 A:HIS72 4.2 14.2 1.0
C3B A:HEM803 4.2 16.5 1.0
C2B A:HEM803 4.2 17.0 1.0
CG A:HIS72 4.2 13.7 1.0
ND1 A:HIS58 4.2 13.3 1.0
C3C A:HEM803 4.2 13.6 1.0
C2C A:HEM803 4.3 11.6 1.0
C3D A:HEM803 4.3 16.0 1.0
C2A A:HEM803 4.3 17.9 1.0
C3A A:HEM803 4.3 16.5 1.0
C2D A:HEM803 4.3 15.0 1.0
CG A:HIS58 4.3 12.9 1.0
CG1 A:VAL46 5.0 13.9 1.0

Iron binding site 4 out of 4 in 1kss

Go back to Iron Binding Sites List in 1kss
Iron binding site 4 out of 4 in the Crystal Structure of HIS505ALA Mutant 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 Crystal Structure of HIS505ALA Mutant Flavocytochrome C3 From Shewanella Frigidimarina within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe804

b:10.8
occ:1.00
FE A:HEM804 0.0 10.8 1.0
NC A:HEM804 2.0 10.7 1.0
NB A:HEM804 2.0 11.4 1.0
ND A:HEM804 2.0 10.1 1.0
NA A:HEM804 2.0 10.8 1.0
NE2 A:HIS86 2.1 12.2 1.0
NE2 A:HIS61 2.1 12.3 1.0
C4B A:HEM804 3.0 12.2 1.0
C4C A:HEM804 3.0 12.1 1.0
CE1 A:HIS61 3.0 12.4 1.0
C1D A:HEM804 3.0 11.1 1.0
C1A A:HEM804 3.0 11.6 1.0
C1C A:HEM804 3.1 11.8 1.0
C1B A:HEM804 3.1 11.5 1.0
C4A A:HEM804 3.1 13.4 1.0
C4D A:HEM804 3.1 10.0 1.0
CD2 A:HIS86 3.1 12.6 1.0
CE1 A:HIS86 3.1 11.7 1.0
CD2 A:HIS61 3.2 12.6 1.0
CHC A:HEM804 3.4 12.4 1.0
CHD A:HEM804 3.4 12.3 1.0
CHB A:HEM804 3.4 13.1 1.0
CHA A:HEM804 3.5 10.4 1.0
ND1 A:HIS61 4.2 13.2 1.0
CG A:HIS86 4.2 11.3 1.0
ND1 A:HIS86 4.2 12.5 1.0
C3B A:HEM804 4.2 11.8 1.0
C3C A:HEM804 4.3 13.0 1.0
C2B A:HEM804 4.3 12.3 1.0
C2C A:HEM804 4.3 13.2 1.0
CG A:HIS61 4.3 13.5 1.0
C3A A:HEM804 4.3 12.1 1.0
C2D A:HEM804 4.3 11.6 1.0
C2A A:HEM804 4.3 12.4 1.0
C3D A:HEM804 4.3 11.0 1.0

Reference:

K.L.Pankhurst, C.G.Mowat, C.S.Miles, D.Leys, M.D.Walkinshaw, G.A.Reid, S.K.Chapman. Role of HIS505 in the Soluble Fumarate Reductase From Shewanella Frigidimarina. Biochemistry V. 41 8551 2002.
ISSN: ISSN 0006-2960
PubMed: 12093271
DOI: 10.1021/BI020155E
Page generated: Wed Jul 16 17:12:15 2025

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