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Iron in PDB 1lj1: Crystal Structure of Q363F/R402A Mutant Flavocytochrome C3

Enzymatic activity of Crystal Structure of Q363F/R402A Mutant Flavocytochrome C3

All present enzymatic activity of Crystal Structure of Q363F/R402A Mutant Flavocytochrome C3:
1.3.99.1;

Protein crystallography data

The structure of Crystal Structure of Q363F/R402A Mutant Flavocytochrome C3, PDB code: 1lj1 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 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.971, 88.280, 90.087, 90.00, 103.89, 90.00
R / Rfree (%) 16.1 / 23.5

Other elements in 1lj1:

The structure of Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 (pdb code 1lj1). 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/R402A Mutant Flavocytochrome C3, PDB code: 1lj1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1lj1

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Iron binding site 1 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:15.1
occ:1.00
FE A:HEM801 0.0 15.1 1.0
NC A:HEM801 2.0 15.2 1.0
NA A:HEM801 2.0 15.8 1.0
NE2 A:HIS18 2.0 13.7 1.0
NB A:HEM801 2.0 17.7 1.0
ND A:HEM801 2.0 15.7 1.0
NE2 A:HIS75 2.1 17.6 1.0
CE1 A:HIS18 2.9 13.5 1.0
C1C A:HEM801 3.0 17.0 1.0
C4B A:HEM801 3.0 17.3 1.0
C1A A:HEM801 3.0 17.1 1.0
C4C A:HEM801 3.0 15.9 1.0
C4A A:HEM801 3.1 17.3 1.0
C1D A:HEM801 3.1 14.5 1.0
C1B A:HEM801 3.1 16.5 1.0
C4D A:HEM801 3.1 14.1 1.0
CD2 A:HIS75 3.1 18.0 1.0
CE1 A:HIS75 3.1 17.2 1.0
CD2 A:HIS18 3.2 11.1 1.0
CHA A:HEM801 3.4 15.2 1.0
CHC A:HEM801 3.4 17.5 1.0
CHD A:HEM801 3.4 13.2 1.0
CHB A:HEM801 3.5 16.2 1.0
ND1 A:HIS18 4.1 12.5 1.0
CG A:HIS18 4.2 13.6 1.0
ND1 A:HIS75 4.2 19.2 1.0
C3C A:HEM801 4.2 16.4 1.0
C2C A:HEM801 4.2 16.9 1.0
C3B A:HEM801 4.2 18.2 1.0
C2A A:HEM801 4.3 18.2 1.0
CG A:HIS75 4.3 18.2 1.0
C3A A:HEM801 4.3 17.0 1.0
C2B A:HEM801 4.3 16.7 1.0
C3D A:HEM801 4.3 14.5 1.0
C2D A:HEM801 4.3 15.7 1.0
O A:HOH2095 4.8 26.7 1.0

Iron binding site 2 out of 8 in 1lj1

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Iron binding site 2 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe802

b:17.7
occ:1.00
FE A:HEM802 0.0 17.7 1.0
NC A:HEM802 2.0 16.1 1.0
NB A:HEM802 2.0 15.2 1.0
NA A:HEM802 2.0 19.9 1.0
ND A:HEM802 2.0 20.4 1.0
NE2 A:HIS40 2.1 18.1 1.0
NE2 A:HIS8 2.1 15.4 1.0
C4B A:HEM802 3.0 16.2 1.0
C4C A:HEM802 3.0 18.8 1.0
C1C A:HEM802 3.0 16.2 1.0
CE1 A:HIS40 3.0 17.9 1.0
C1D A:HEM802 3.0 19.9 1.0
C1B A:HEM802 3.0 17.1 1.0
C1A A:HEM802 3.0 19.8 1.0
C4D A:HEM802 3.1 21.8 1.0
C4A A:HEM802 3.1 20.3 1.0
CD2 A:HIS40 3.1 17.6 1.0
CD2 A:HIS8 3.1 16.5 1.0
CE1 A:HIS8 3.2 16.0 1.0
CHC A:HEM802 3.3 17.3 1.0
CHD A:HEM802 3.4 19.5 1.0
CHA A:HEM802 3.4 20.7 1.0
CHB A:HEM802 3.4 18.7 1.0
ND1 A:HIS40 4.2 16.6 1.0
CG A:HIS40 4.2 17.3 1.0
C3B A:HEM802 4.2 16.6 1.0
C2B A:HEM802 4.2 18.3 1.0
C3C A:HEM802 4.2 17.5 1.0
C2C A:HEM802 4.3 16.3 1.0
C2D A:HEM802 4.3 23.3 1.0
C2A A:HEM802 4.3 19.5 1.0
CG A:HIS8 4.3 16.4 1.0
C3A A:HEM802 4.3 20.1 1.0
C3D A:HEM802 4.3 23.6 1.0
ND1 A:HIS8 4.3 15.0 1.0

Iron binding site 3 out of 8 in 1lj1

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Iron binding site 3 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe803

b:16.6
occ:1.00
FE A:HEM803 0.0 16.6 1.0
NB A:HEM803 2.0 17.0 1.0
ND A:HEM803 2.0 16.5 1.0
NC A:HEM803 2.0 16.5 1.0
NA A:HEM803 2.0 18.4 1.0
NE2 A:HIS58 2.1 13.9 1.0
NE2 A:HIS72 2.1 15.5 1.0
CE1 A:HIS58 3.0 15.3 1.0
C4B A:HEM803 3.0 17.4 1.0
C1B A:HEM803 3.0 17.2 1.0
C4C A:HEM803 3.0 15.8 1.0
C1D A:HEM803 3.0 16.9 1.0
C1C A:HEM803 3.0 14.4 1.0
C4D A:HEM803 3.0 19.2 1.0
C4A A:HEM803 3.1 18.5 1.0
C1A A:HEM803 3.1 18.9 1.0
CE1 A:HIS72 3.1 13.8 1.0
CD2 A:HIS72 3.2 15.3 1.0
CD2 A:HIS58 3.2 15.1 1.0
CHD A:HEM803 3.4 16.0 1.0
CHC A:HEM803 3.4 15.9 1.0
CHB A:HEM803 3.4 16.8 1.0
CHA A:HEM803 3.4 18.8 1.0
ND1 A:HIS58 4.1 14.1 1.0
C3B A:HEM803 4.2 18.4 1.0
C2B A:HEM803 4.2 17.5 1.0
ND1 A:HIS72 4.2 14.8 1.0
C3C A:HEM803 4.3 17.3 1.0
C2C A:HEM803 4.3 17.1 1.0
C3D A:HEM803 4.3 19.5 1.0
C2D A:HEM803 4.3 19.3 1.0
C2A A:HEM803 4.3 20.1 1.0
CG A:HIS58 4.3 14.3 1.0
C3A A:HEM803 4.3 19.7 1.0
CG A:HIS72 4.3 15.1 1.0
CG1 A:VAL46 5.0 20.5 1.0

Iron binding site 4 out of 8 in 1lj1

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Iron binding site 4 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe804

b:15.0
occ:1.00
FE A:HEM804 0.0 15.0 1.0
NA A:HEM804 2.0 16.5 1.0
NC A:HEM804 2.0 15.7 1.0
ND A:HEM804 2.0 14.4 1.0
NB A:HEM804 2.0 17.4 1.0
NE2 A:HIS61 2.1 12.6 1.0
NE2 A:HIS86 2.1 15.5 1.0
C4B A:HEM804 3.0 17.9 1.0
C4A A:HEM804 3.0 16.8 1.0
C1C A:HEM804 3.0 17.1 1.0
C1B A:HEM804 3.0 17.6 1.0
C4C A:HEM804 3.0 15.4 1.0
C1D A:HEM804 3.0 14.8 1.0
CE1 A:HIS61 3.0 11.6 1.0
C1A A:HEM804 3.0 17.1 1.0
CE1 A:HIS86 3.0 17.4 1.0
C4D A:HEM804 3.1 13.1 1.0
CD2 A:HIS86 3.1 16.0 1.0
CD2 A:HIS61 3.1 12.9 1.0
CHC A:HEM804 3.4 17.1 1.0
CHD A:HEM804 3.4 14.6 1.0
CHB A:HEM804 3.4 17.8 1.0
CHA A:HEM804 3.4 14.3 1.0
ND1 A:HIS86 4.2 17.5 1.0
ND1 A:HIS61 4.2 11.5 1.0
C3B A:HEM804 4.2 18.4 1.0
C2B A:HEM804 4.2 18.9 1.0
CG A:HIS86 4.2 16.2 1.0
CG A:HIS61 4.2 11.9 1.0
C3A A:HEM804 4.2 17.7 1.0
C2A A:HEM804 4.3 17.1 1.0
C2C A:HEM804 4.3 17.1 1.0
C3C A:HEM804 4.3 17.8 1.0
C3D A:HEM804 4.3 14.7 1.0
C2D A:HEM804 4.3 13.8 1.0

Iron binding site 5 out of 8 in 1lj1

Go back to Iron Binding Sites List in 1lj1
Iron binding site 5 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:14.8
occ:1.00
FE B:HEM801 0.0 14.8 1.0
NA B:HEM801 2.0 16.3 1.0
NB B:HEM801 2.0 15.4 1.0
ND B:HEM801 2.0 15.1 1.0
NC B:HEM801 2.0 15.8 1.0
NE2 B:HIS18 2.1 13.0 1.0
NE2 B:HIS75 2.2 17.1 1.0
CE1 B:HIS18 3.0 13.5 1.0
C1A B:HEM801 3.0 17.5 1.0
C4B B:HEM801 3.0 14.7 1.0
C4A B:HEM801 3.0 18.8 1.0
C1B B:HEM801 3.0 16.7 1.0
C1D B:HEM801 3.1 14.8 1.0
C4C B:HEM801 3.1 15.6 1.0
C4D B:HEM801 3.1 13.2 1.0
C1C B:HEM801 3.1 16.1 1.0
CE1 B:HIS75 3.1 16.2 1.0
CD2 B:HIS18 3.2 12.1 1.0
CD2 B:HIS75 3.2 16.3 1.0
CHA B:HEM801 3.4 15.4 1.0
CHB B:HEM801 3.4 16.9 1.0
CHD B:HEM801 3.4 13.8 1.0
CHC B:HEM801 3.4 15.9 1.0
ND1 B:HIS18 4.2 13.7 1.0
ND1 B:HIS75 4.2 15.3 1.0
C3B B:HEM801 4.2 17.4 1.0
C2A B:HEM801 4.2 18.9 1.0
C3A B:HEM801 4.2 19.4 1.0
C2B B:HEM801 4.3 18.6 1.0
C3C B:HEM801 4.3 16.1 1.0
C2C B:HEM801 4.3 16.8 1.0
C3D B:HEM801 4.3 13.2 1.0
CG B:HIS18 4.3 14.0 1.0
C2D B:HEM801 4.3 14.3 1.0
CG B:HIS75 4.3 15.7 1.0

Iron binding site 6 out of 8 in 1lj1

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Iron binding site 6 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe802

b:17.2
occ:1.00
FE B:HEM802 0.0 17.2 1.0
NC B:HEM802 2.0 16.5 1.0
NB B:HEM802 2.0 16.9 1.0
NA B:HEM802 2.0 17.4 1.0
ND B:HEM802 2.0 18.9 1.0
NE2 B:HIS8 2.1 18.9 1.0
NE2 B:HIS40 2.1 14.7 1.0
C4B B:HEM802 3.0 16.9 1.0
CD2 B:HIS8 3.0 15.8 1.0
C4C B:HEM802 3.0 15.9 1.0
C1D B:HEM802 3.0 19.9 1.0
C1B B:HEM802 3.0 16.6 1.0
C1A B:HEM802 3.0 19.7 1.0
C1C B:HEM802 3.0 15.9 1.0
C4A B:HEM802 3.1 17.7 1.0
C4D B:HEM802 3.1 20.4 1.0
CE1 B:HIS40 3.1 15.4 1.0
CE1 B:HIS8 3.2 18.4 1.0
CD2 B:HIS40 3.2 15.2 1.0
CHD B:HEM802 3.4 17.1 1.0
CHC B:HEM802 3.4 15.8 1.0
CHB B:HEM802 3.4 17.3 1.0
CHA B:HEM802 3.4 20.1 1.0
CG B:HIS8 4.2 17.8 1.0
C3B B:HEM802 4.2 17.4 1.0
ND1 B:HIS40 4.2 15.5 1.0
C3C B:HEM802 4.2 16.0 1.0
C2B B:HEM802 4.2 17.0 1.0
ND1 B:HIS8 4.2 17.8 1.0
C2D B:HEM802 4.3 20.7 1.0
C2C B:HEM802 4.3 15.4 1.0
C2A B:HEM802 4.3 18.2 1.0
C3A B:HEM802 4.3 18.2 1.0
C3D B:HEM802 4.3 22.1 1.0
CG B:HIS40 4.3 14.9 1.0

Iron binding site 7 out of 8 in 1lj1

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Iron binding site 7 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe803

b:16.1
occ:1.00
FE B:HEM803 0.0 16.1 1.0
NA B:HEM803 2.0 17.6 1.0
NB B:HEM803 2.0 16.6 1.0
ND B:HEM803 2.0 16.2 1.0
NC B:HEM803 2.0 14.7 1.0
NE2 B:HIS72 2.1 12.8 1.0
NE2 B:HIS58 2.2 12.6 1.0
CE1 B:HIS72 3.0 11.2 1.0
C1A B:HEM803 3.0 18.0 1.0
C1C B:HEM803 3.0 14.0 1.0
C4B B:HEM803 3.0 16.8 1.0
C4C B:HEM803 3.0 13.9 1.0
C4D B:HEM803 3.0 17.0 1.0
C1B B:HEM803 3.0 16.7 1.0
C4A B:HEM803 3.1 17.5 1.0
C1D B:HEM803 3.1 16.4 1.0
CD2 B:HIS58 3.1 10.9 1.0
CD2 B:HIS72 3.2 10.3 1.0
CE1 B:HIS58 3.3 12.5 1.0
CHC B:HEM803 3.4 14.2 1.0
CHA B:HEM803 3.4 17.3 1.0
CHB B:HEM803 3.4 16.4 1.0
CHD B:HEM803 3.4 16.0 1.0
ND1 B:HIS72 4.1 8.6 1.0
C2A B:HEM803 4.2 19.3 1.0
C3B B:HEM803 4.2 18.1 1.0
C2B B:HEM803 4.2 19.0 1.0
C2C B:HEM803 4.3 13.0 1.0
CG B:HIS72 4.3 10.7 1.0
C3C B:HEM803 4.3 14.6 1.0
C3A B:HEM803 4.3 17.5 1.0
C3D B:HEM803 4.3 17.4 1.0
CG B:HIS58 4.3 12.2 1.0
C2D B:HEM803 4.3 16.0 1.0
ND1 B:HIS58 4.3 11.4 1.0
CG1 B:VAL46 5.0 12.9 1.0

Iron binding site 8 out of 8 in 1lj1

Go back to Iron Binding Sites List in 1lj1
Iron binding site 8 out of 8 in the Crystal Structure of Q363F/R402A 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/R402A Mutant Flavocytochrome C3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe804

b:13.8
occ:1.00
FE B:HEM804 0.0 13.8 1.0
ND B:HEM804 2.0 12.4 1.0
NC B:HEM804 2.0 13.4 1.0
NA B:HEM804 2.0 13.4 1.0
NB B:HEM804 2.0 14.9 1.0
NE2 B:HIS86 2.1 14.1 1.0
NE2 B:HIS61 2.1 14.1 1.0
CE1 B:HIS86 2.9 15.2 1.0
C1D B:HEM804 3.0 13.5 1.0
C4C B:HEM804 3.0 13.5 1.0
C4A B:HEM804 3.0 15.2 1.0
C4D B:HEM804 3.0 12.4 1.0
C4B B:HEM804 3.0 13.7 1.0
C1A B:HEM804 3.1 14.0 1.0
C1B B:HEM804 3.1 14.5 1.0
C1C B:HEM804 3.1 15.4 1.0
CD2 B:HIS61 3.1 14.8 1.0
CE1 B:HIS61 3.1 11.9 1.0
CD2 B:HIS86 3.2 13.2 1.0
CHD B:HEM804 3.4 13.5 1.0
CHA B:HEM804 3.4 13.1 1.0
CHB B:HEM804 3.4 13.8 1.0
CHC B:HEM804 3.4 13.7 1.0
ND1 B:HIS86 4.1 11.8 1.0
ND1 B:HIS61 4.2 12.7 1.0
CG B:HIS61 4.2 13.4 1.0
CG B:HIS86 4.2 12.1 1.0
C3D B:HEM804 4.3 12.1 1.0
C3B B:HEM804 4.3 15.6 1.0
C2A B:HEM804 4.3 15.7 1.0
C2D B:HEM804 4.3 12.9 1.0
C3C B:HEM804 4.3 16.1 1.0
C3A B:HEM804 4.3 15.3 1.0
C2B B:HEM804 4.3 15.4 1.0
C2C B:HEM804 4.3 15.4 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 the 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: Sun Dec 13 14:22:10 2020

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