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Iron in PDB 1m64: Crystal Structure of Q363F Mutant Flavocytochrome C3

Enzymatic activity of Crystal Structure of Q363F Mutant Flavocytochrome C3

All present enzymatic activity of Crystal Structure of Q363F Mutant Flavocytochrome C3:
1.3.99.1;

Protein crystallography data

The structure of Crystal Structure of Q363F Mutant Flavocytochrome C3, PDB code: 1m64 was solved by C.G.Mowat, K.L.Pankhurst, 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) 15.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 78.520, 88.886, 91.194, 90.00, 104.42, 90.00
R / Rfree (%) 16.3 / 22.4

Other elements in 1m64:

The structure of Crystal Structure of Q363F Mutant Flavocytochrome C3 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Q363F Mutant Flavocytochrome C3 (pdb code 1m64). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Q363F Mutant Flavocytochrome C3, PDB code: 1m64:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1m64

Go back to Iron Binding Sites List in 1m64
Iron binding site 1 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


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 Q363F Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:12.7
occ:1.00
FE A:HEM801 0.0 12.7 1.0
NA A:HEM801 2.0 15.3 1.0
NC A:HEM801 2.0 14.5 1.0
ND A:HEM801 2.0 14.2 1.0
NB A:HEM801 2.0 13.6 1.0
NE2 A:HIS18 2.1 11.5 1.0
NE2 A:HIS75 2.2 14.6 1.0
CE1 A:HIS18 3.0 11.8 1.0
C4B A:HEM801 3.0 14.9 1.0
C1B A:HEM801 3.0 14.8 1.0
C1A A:HEM801 3.0 16.6 1.0
C1C A:HEM801 3.0 14.8 1.0
C1D A:HEM801 3.0 13.5 1.0
C4A A:HEM801 3.1 16.2 1.0
C4C A:HEM801 3.1 14.3 1.0
C4D A:HEM801 3.1 14.6 1.0
CE1 A:HIS75 3.1 14.1 1.0
CD2 A:HIS18 3.2 11.6 1.0
CD2 A:HIS75 3.2 14.8 1.0
CHB A:HEM801 3.4 15.7 1.0
CHA A:HEM801 3.4 15.6 1.0
CHC A:HEM801 3.4 15.9 1.0
CHD A:HEM801 3.4 13.8 1.0
ND1 A:HIS18 4.2 11.3 1.0
ND1 A:HIS75 4.2 14.2 1.0
CG A:HIS18 4.3 13.1 1.0
C2B A:HEM801 4.3 15.1 1.0
C3B A:HEM801 4.3 15.8 1.0
C2A A:HEM801 4.3 17.6 1.0
C3A A:HEM801 4.3 17.7 1.0
C3D A:HEM801 4.3 13.2 1.0
C3C A:HEM801 4.3 15.1 1.0
C2C A:HEM801 4.3 15.3 1.0
C2D A:HEM801 4.3 13.7 1.0
CG A:HIS75 4.3 15.3 1.0
O A:HOH3276 5.0 22.8 1.0

Iron binding site 2 out of 8 in 1m64

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Iron binding site 2 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


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 Q363F Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe802

b:14.3
occ:1.00
FE A:HEM802 0.0 14.3 1.0
NC A:HEM802 2.0 15.3 1.0
NB A:HEM802 2.0 13.8 1.0
NA A:HEM802 2.0 16.3 1.0
ND A:HEM802 2.0 15.8 1.0
NE2 A:HIS40 2.1 14.2 1.0
NE2 A:HIS8 2.2 15.3 1.0
C4B A:HEM802 3.0 14.1 1.0
C4C A:HEM802 3.0 16.6 1.0
C1B A:HEM802 3.0 14.8 1.0
C1D A:HEM802 3.0 17.5 1.0
C1A A:HEM802 3.0 16.2 1.0
C4D A:HEM802 3.1 18.4 1.0
C1C A:HEM802 3.1 13.9 1.0
C4A A:HEM802 3.1 16.6 1.0
CD2 A:HIS40 3.1 13.3 1.0
CD2 A:HIS8 3.1 15.3 1.0
CE1 A:HIS40 3.2 14.4 1.0
CE1 A:HIS8 3.2 15.2 1.0
CHB A:HEM802 3.4 16.6 1.0
CHD A:HEM802 3.4 16.4 1.0
CHA A:HEM802 3.4 18.0 1.0
CHC A:HEM802 3.4 14.5 1.0
C2B A:HEM802 4.2 15.1 1.0
C3B A:HEM802 4.2 15.1 1.0
C3C A:HEM802 4.2 16.5 1.0
ND1 A:HIS40 4.2 14.6 1.0
CG A:HIS40 4.2 13.7 1.0
C2C A:HEM802 4.3 16.0 1.0
C3A A:HEM802 4.3 15.8 1.0
C2A A:HEM802 4.3 16.2 1.0
C2D A:HEM802 4.3 19.4 1.0
C3D A:HEM802 4.3 19.9 1.0
CG A:HIS8 4.3 15.4 1.0
ND1 A:HIS8 4.3 16.2 1.0

Iron binding site 3 out of 8 in 1m64

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Iron binding site 3 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


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 Q363F Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe803

b:13.3
occ:1.00
FE A:HEM803 0.0 13.3 1.0
NB A:HEM803 2.0 14.7 1.0
ND A:HEM803 2.0 12.4 1.0
NC A:HEM803 2.0 11.6 1.0
NA A:HEM803 2.0 14.8 1.0
NE2 A:HIS58 2.2 14.7 1.0
NE2 A:HIS72 2.2 12.1 1.0
C1D A:HEM803 3.0 14.2 1.0
C1C A:HEM803 3.0 12.3 1.0
C1B A:HEM803 3.0 14.6 1.0
C4C A:HEM803 3.0 12.2 1.0
C4B A:HEM803 3.0 14.4 1.0
CE1 A:HIS58 3.1 15.1 1.0
C4D A:HEM803 3.1 14.2 1.0
C1A A:HEM803 3.1 15.8 1.0
C4A A:HEM803 3.1 15.4 1.0
CE1 A:HIS72 3.1 10.5 1.0
CD2 A:HIS58 3.2 13.6 1.0
CD2 A:HIS72 3.2 12.4 1.0
CHD A:HEM803 3.4 12.8 1.0
CHC A:HEM803 3.4 13.9 1.0
CHA A:HEM803 3.4 15.3 1.0
CHB A:HEM803 3.4 14.5 1.0
ND1 A:HIS58 4.2 14.3 1.0
C2B A:HEM803 4.2 15.4 1.0
C3B A:HEM803 4.2 15.2 1.0
C2D A:HEM803 4.3 15.1 1.0
C2C A:HEM803 4.3 11.9 1.0
C3C A:HEM803 4.3 12.4 1.0
C3D A:HEM803 4.3 14.2 1.0
ND1 A:HIS72 4.3 11.3 1.0
C2A A:HEM803 4.3 17.5 1.0
C3A A:HEM803 4.3 15.8 1.0
CG A:HIS58 4.3 14.0 1.0
CG A:HIS72 4.4 11.7 1.0

Iron binding site 4 out of 8 in 1m64

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Iron binding site 4 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


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 Q363F Mutant Flavocytochrome C3 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
NC A:HEM804 2.0 9.3 1.0
NB A:HEM804 2.0 12.1 1.0
NA A:HEM804 2.0 10.5 1.0
ND A:HEM804 2.0 9.2 1.0
NE2 A:HIS61 2.1 9.5 1.0
NE2 A:HIS86 2.2 12.4 1.0
C4B A:HEM804 3.0 13.1 1.0
C1B A:HEM804 3.0 12.9 1.0
C4C A:HEM804 3.0 9.6 1.0
C1C A:HEM804 3.0 10.6 1.0
C1A A:HEM804 3.1 11.0 1.0
C4A A:HEM804 3.1 12.5 1.0
C1D A:HEM804 3.1 10.0 1.0
C4D A:HEM804 3.1 10.3 1.0
CE1 A:HIS61 3.1 8.6 1.0
CD2 A:HIS86 3.1 10.9 1.0
CE1 A:HIS86 3.1 11.3 1.0
CD2 A:HIS61 3.2 10.2 1.0
CHC A:HEM804 3.4 12.5 1.0
CHD A:HEM804 3.4 9.3 1.0
CHB A:HEM804 3.4 12.9 1.0
CHA A:HEM804 3.5 10.2 1.0
C3B A:HEM804 4.2 13.3 1.0
C2B A:HEM804 4.2 13.0 1.0
C3C A:HEM804 4.3 10.9 1.0
ND1 A:HIS61 4.3 8.8 1.0
ND1 A:HIS86 4.3 11.6 1.0
C2C A:HEM804 4.3 10.9 1.0
CG A:HIS86 4.3 10.8 1.0
C3A A:HEM804 4.3 13.3 1.0
C2A A:HEM804 4.3 12.5 1.0
C2D A:HEM804 4.3 8.8 1.0
C3D A:HEM804 4.3 9.7 1.0
CG A:HIS61 4.3 10.0 1.0

Iron binding site 5 out of 8 in 1m64

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Iron binding site 5 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Q363F Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:12.0
occ:1.00
FE B:HEM801 0.0 12.0 1.0
NA B:HEM801 2.0 13.7 1.0
NC B:HEM801 2.0 12.7 1.0
ND B:HEM801 2.0 11.9 1.0
NB B:HEM801 2.0 12.4 1.0
NE2 B:HIS75 2.1 10.9 1.0
NE2 B:HIS18 2.2 13.0 1.0
C1B B:HEM801 3.0 14.1 1.0
C4B B:HEM801 3.0 13.4 1.0
C1D B:HEM801 3.0 12.2 1.0
C4A B:HEM801 3.0 14.3 1.0
C4D B:HEM801 3.0 12.0 1.0
C1C B:HEM801 3.1 15.3 1.0
CD2 B:HIS75 3.1 11.9 1.0
C1A B:HEM801 3.1 14.8 1.0
C4C B:HEM801 3.1 14.2 1.0
CE1 B:HIS18 3.1 11.8 1.0
CE1 B:HIS75 3.2 12.3 1.0
CD2 B:HIS18 3.2 12.3 1.0
CHB B:HEM801 3.4 13.1 1.0
CHC B:HEM801 3.4 15.3 1.0
CHA B:HEM801 3.4 12.7 1.0
CHD B:HEM801 3.4 14.2 1.0
ND1 B:HIS18 4.2 12.3 1.0
ND1 B:HIS75 4.2 10.3 1.0
CG B:HIS75 4.2 11.9 1.0
C3B B:HEM801 4.3 14.8 1.0
C2B B:HEM801 4.3 15.2 1.0
C3D B:HEM801 4.3 12.3 1.0
C2D B:HEM801 4.3 12.3 1.0
C3A B:HEM801 4.3 14.2 1.0
C2C B:HEM801 4.3 15.5 1.0
C2A B:HEM801 4.3 15.8 1.0
C3C B:HEM801 4.3 15.0 1.0
CG B:HIS18 4.3 11.2 1.0

Iron binding site 6 out of 8 in 1m64

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Iron binding site 6 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Q363F Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe802

b:12.3
occ:1.00
FE B:HEM802 0.0 12.3 1.0
NC B:HEM802 2.0 12.8 1.0
NB B:HEM802 2.0 11.3 1.0
NA B:HEM802 2.0 12.6 1.0
ND B:HEM802 2.0 12.5 1.0
NE2 B:HIS40 2.1 13.6 1.0
NE2 B:HIS8 2.2 15.4 1.0
C4B B:HEM802 3.0 13.3 1.0
C4C B:HEM802 3.0 12.8 1.0
C1B B:HEM802 3.0 12.5 1.0
C1D B:HEM802 3.0 14.7 1.0
C1C B:HEM802 3.0 13.0 1.0
C4D B:HEM802 3.1 14.3 1.0
C4A B:HEM802 3.1 12.3 1.0
C1A B:HEM802 3.1 12.5 1.0
CE1 B:HIS40 3.1 14.7 1.0
CD2 B:HIS8 3.1 13.7 1.0
CD2 B:HIS40 3.1 14.3 1.0
CE1 B:HIS8 3.2 13.5 1.0
CHD B:HEM802 3.4 14.4 1.0
CHB B:HEM802 3.4 13.0 1.0
CHC B:HEM802 3.4 12.8 1.0
CHA B:HEM802 3.4 14.3 1.0
ND1 B:HIS40 4.2 13.5 1.0
C3B B:HEM802 4.2 13.7 1.0
C2B B:HEM802 4.2 13.2 1.0
C3C B:HEM802 4.2 14.1 1.0
C2C B:HEM802 4.2 14.5 1.0
C2D B:HEM802 4.3 14.0 1.0
ND1 B:HIS8 4.3 13.6 1.0
C3D B:HEM802 4.3 15.2 1.0
CG B:HIS40 4.3 12.5 1.0
C3A B:HEM802 4.3 12.8 1.0
C2A B:HEM802 4.3 13.4 1.0
CG B:HIS8 4.3 13.4 1.0

Iron binding site 7 out of 8 in 1m64

Go back to Iron Binding Sites List in 1m64
Iron binding site 7 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Q363F Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe803

b:12.3
occ:1.00
FE B:HEM803 0.0 12.3 1.0
ND B:HEM803 2.0 13.7 1.0
NB B:HEM803 2.0 11.1 1.0
NC B:HEM803 2.0 9.8 1.0
NA B:HEM803 2.0 12.6 1.0
NE2 B:HIS58 2.2 11.3 1.0
NE2 B:HIS72 2.2 12.7 1.0
C1D B:HEM803 3.0 14.3 1.0
C4C B:HEM803 3.0 11.5 1.0
C4B B:HEM803 3.0 12.8 1.0
C1B B:HEM803 3.0 12.1 1.0
C1C B:HEM803 3.0 10.7 1.0
C4D B:HEM803 3.0 14.7 1.0
C1A B:HEM803 3.0 14.6 1.0
C4A B:HEM803 3.1 14.0 1.0
CE1 B:HIS58 3.1 12.4 1.0
CD2 B:HIS58 3.1 11.4 1.0
CD2 B:HIS72 3.2 11.4 1.0
CE1 B:HIS72 3.2 11.3 1.0
CHD B:HEM803 3.4 12.7 1.0
CHB B:HEM803 3.4 13.3 1.0
CHC B:HEM803 3.4 11.8 1.0
CHA B:HEM803 3.4 14.1 1.0
C2D B:HEM803 4.2 14.1 1.0
C3B B:HEM803 4.2 13.5 1.0
C2B B:HEM803 4.2 13.1 1.0
C3D B:HEM803 4.2 15.6 1.0
ND1 B:HIS58 4.3 12.5 1.0
C3C B:HEM803 4.3 11.5 1.0
C2C B:HEM803 4.3 10.5 1.0
ND1 B:HIS72 4.3 11.3 1.0
C2A B:HEM803 4.3 14.0 1.0
CG B:HIS58 4.3 12.4 1.0
C3A B:HEM803 4.3 13.4 1.0
CG B:HIS72 4.3 11.1 1.0

Iron binding site 8 out of 8 in 1m64

Go back to Iron Binding Sites List in 1m64
Iron binding site 8 out of 8 in the Crystal Structure of Q363F Mutant Flavocytochrome C3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Q363F Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe804

b:9.7
occ:1.00
FE B:HEM804 0.0 9.7 1.0
NC B:HEM804 2.0 8.5 1.0
NA B:HEM804 2.0 10.2 1.0
NB B:HEM804 2.0 8.9 1.0
ND B:HEM804 2.0 8.2 1.0
NE2 B:HIS86 2.1 9.3 1.0
NE2 B:HIS61 2.1 8.8 1.0
C4B B:HEM804 3.0 9.1 1.0
CE1 B:HIS86 3.0 9.5 1.0
C4C B:HEM804 3.0 9.1 1.0
C1B B:HEM804 3.1 10.7 1.0
C1A B:HEM804 3.1 10.7 1.0
C1D B:HEM804 3.1 9.2 1.0
C4A B:HEM804 3.1 11.9 1.0
C4D B:HEM804 3.1 9.5 1.0
C1C B:HEM804 3.1 9.4 1.0
CE1 B:HIS61 3.1 7.9 1.0
CD2 B:HIS61 3.1 8.5 1.0
CD2 B:HIS86 3.2 10.4 1.0
CHD B:HEM804 3.4 10.1 1.0
CHC B:HEM804 3.4 10.1 1.0
CHB B:HEM804 3.5 11.7 1.0
CHA B:HEM804 3.5 10.0 1.0
ND1 B:HIS86 4.2 10.1 1.0
ND1 B:HIS61 4.2 9.8 1.0
C3B B:HEM804 4.2 11.4 1.0
CG B:HIS61 4.3 9.0 1.0
C2B B:HEM804 4.3 11.8 1.0
CG B:HIS86 4.3 9.2 1.0
C3C B:HEM804 4.3 9.7 1.0
C2A B:HEM804 4.3 11.7 1.0
C2D B:HEM804 4.3 7.9 1.0
C2C B:HEM804 4.3 10.8 1.0
C3D B:HEM804 4.3 8.9 1.0
C3A B:HEM804 4.3 11.8 1.0

Reference:

C.G.Mowat, K.L.Pankhurst, C.S.Miles, D.Leys, M.D.Walkinshaw, G.A.Reid, S.K.Chapman. Engineering Water to Act As An Active Site Acid Catalyst in A Soluble Fumarate Reductase Biochemistry V. 41 11990 2002.
ISSN: ISSN 0006-2960
PubMed: 12356299
DOI: 10.1021/BI0203177
Page generated: Sat Aug 3 10:03:22 2024

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