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Iron in PDB 3lb8: Crystal Structure of the Covalent Putidaredoxin Reductase- Putidaredoxin Complex

Protein crystallography data

The structure of Crystal Structure of the Covalent Putidaredoxin Reductase- Putidaredoxin Complex, PDB code: 3lb8 was solved by I.F.Sevrioukova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.50 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.600, 103.400, 167.700, 90.00, 90.00, 90.00
R / Rfree (%) 24.4 / 27.2

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Covalent Putidaredoxin Reductase- Putidaredoxin Complex (pdb code 3lb8). 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 the Covalent Putidaredoxin Reductase- Putidaredoxin Complex, PDB code: 3lb8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3lb8

Go back to Iron Binding Sites List in 3lb8
Iron binding site 1 out of 4 in the Crystal Structure of the Covalent Putidaredoxin Reductase- Putidaredoxin Complex


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 the Covalent Putidaredoxin Reductase- Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe107

b:70.0
occ:1.00
 FE1 C:FES107 0.0 70.0 1.0
S2 C:FES107 2.2 70.0 1.0
S1 C:FES107 2.2 67.7 1.0
SG C:CYS45 2.3 65.5 1.0
SG C:CYS39 2.3 68.3 1.0
FE2 C:FES107 2.7 71.5 1.0
CB C:CYS39 3.0 67.9 1.0
N C:CYS45 3.4 68.8 1.0
CB C:CYS45 3.5 67.7 1.0
N C:ALA46 3.8 70.8 1.0
N C:CYS39 3.8 69.2 1.0
N C:SER44 3.9 67.8 1.0
CA C:CYS39 3.9 68.6 1.0
CA C:CYS45 3.9 69.0 1.0
N C:GLY41 4.2 65.6 1.0
N C:ALA43 4.3 64.4 1.0
C C:CYS45 4.3 69.6 1.0
SG C:CYS48 4.3 82.5 1.0
C C:SER44 4.4 68.8 1.0
N C:GLY40 4.4 68.0 1.0
C C:CYS39 4.4 68.7 1.0
OG1 C:THR47 4.5 74.0 1.0
CA C:ALA43 4.5 65.7 1.0
SG C:CYS86 4.6 82.5 1.0
N C:SER42 4.6 65.2 1.0
CA C:GLY41 4.7 65.9 1.0
N C:THR47 4.7 74.0 1.0
CA C:SER44 4.7 68.0 1.0
C C:ALA43 4.7 66.8 1.0
C C:GLY37 4.9 73.4 1.0
O C:GLY37 4.9 72.4 1.0
CA C:ALA46 4.9 72.0 1.0

Iron binding site 2 out of 4 in 3lb8

Go back to Iron Binding Sites List in 3lb8
Iron binding site 2 out of 4 in the Crystal Structure of the Covalent Putidaredoxin Reductase- Putidaredoxin Complex


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 the Covalent Putidaredoxin Reductase- Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe107

b:71.5
occ:1.00
 FE2 C:FES107 0.0 71.5 1.0
S2 C:FES107 2.3 70.0 1.0
S1 C:FES107 2.3 67.7 1.0
SG C:CYS86 2.3 82.5 1.0
SG C:CYS48 2.3 82.5 1.0
FE1 C:FES107 2.7 70.0 1.0
CB C:CYS48 2.8 80.3 1.0
CB C:CYS86 3.2 80.2 1.0
CA C:CYS48 4.0 80.2 1.0
N C:CYS48 4.0 78.7 1.0
CA C:GLY41 4.2 65.9 1.0
SG C:CYS45 4.4 65.5 1.0
SG C:CYS39 4.4 68.3 1.0
CA C:CYS86 4.5 79.7 1.0
N C:ALA43 4.5 64.4 1.0
N C:GLY41 4.5 65.6 1.0
N C:CYS86 4.6 78.1 1.0
CA C:ALA43 4.7 65.7 1.0
CB C:LEU84 4.7 73.6 1.0
N C:ALA46 4.7 70.8 1.0
CG C:MET24 4.8 79.6 1.0
CD2 C:LEU84 4.8 72.5 1.0
N C:THR47 4.8 74.0 1.0
C C:GLY41 4.9 66.4 1.0
CD1 C:LEU84 4.9 73.4 1.0
N C:SER42 5.0 65.2 1.0

Iron binding site 3 out of 4 in 3lb8

Go back to Iron Binding Sites List in 3lb8
Iron binding site 3 out of 4 in the Crystal Structure of the Covalent Putidaredoxin Reductase- Putidaredoxin Complex


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 the Covalent Putidaredoxin Reductase- Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe107

b:0.7
occ:1.00
 FE1 D:FES107 0.0 0.7 1.0
S2 D:FES107 2.3 0.2 1.0
SG D:CYS45 2.3 0.1 1.0
S1 D:FES107 2.3 0.4 1.0
SG D:CYS39 2.3 0.4 1.0
FE2 D:FES107 2.7 0.7 1.0
N D:CYS45 2.9 0.3 1.0
CB D:CYS39 3.4 0.1 1.0
CB D:CYS45 3.4 0.3 1.0
N D:SER44 3.4 0.1 1.0
CA D:CYS45 3.5 0.3 1.0
C D:SER44 3.9 0.7 1.0
CA D:ALA43 3.9 0.6 1.0
N D:ALA46 3.9 0.6 1.0
N D:ALA43 4.1 0.1 1.0
SG D:CYS48 4.2 0.8 1.0
C D:ALA43 4.2 0.6 1.0
C D:CYS45 4.2 0.5 1.0
CA D:SER44 4.3 0.2 1.0
N D:CYS39 4.3 0.6 1.0
CA D:CYS39 4.4 0.2 1.0
SG D:CYS86 4.6 0.5 1.0
N D:GLY41 4.6 0.3 1.0
OG1 D:THR47 4.8 0.1 1.0
C D:CYS39 4.8 0.1 1.0
CA D:GLY41 4.8 0.9 1.0
N D:THR47 4.9 0.5 1.0
O D:SER44 5.0 0.0 1.0

Iron binding site 4 out of 4 in 3lb8

Go back to Iron Binding Sites List in 3lb8
Iron binding site 4 out of 4 in the Crystal Structure of the Covalent Putidaredoxin Reductase- Putidaredoxin Complex


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 the Covalent Putidaredoxin Reductase- Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe107

b:0.7
occ:1.00
 FE2 D:FES107 0.0 0.7 1.0
S2 D:FES107 2.2 0.2 1.0
S1 D:FES107 2.2 0.4 1.0
SG D:CYS48 2.3 0.8 1.0
SG D:CYS86 2.3 0.5 1.0
FE1 D:FES107 2.7 0.7 1.0
CB D:CYS48 3.5 0.5 1.0
CB D:CYS86 3.5 0.0 1.0
CA D:GLY41 3.6 0.9 1.0
SD D:MET24 3.9 0.3 1.0
SG D:CYS39 3.9 0.4 1.0
N D:GLY41 3.9 0.3 1.0
SG D:CYS45 4.0 0.1 1.0
CG D:MET24 4.2 0.7 1.0
C D:GLY41 4.3 0.5 1.0
CA D:GLY37 4.5 0.5 1.0
O D:GLY41 4.5 0.2 1.0
CA D:CYS48 4.7 0.6 1.0
N D:CYS48 4.7 0.9 1.0
N D:ALA43 4.8 0.1 1.0
CA D:CYS86 4.8 0.7 1.0
N D:CYS86 4.8 0.3 1.0
CA D:ALA43 4.8 0.6 1.0
C D:GLY40 4.9 0.6 1.0
CB D:MET24 4.9 0.5 1.0

Reference:

I.F.Sevrioukova, T.L.Poulos, I.Y.Churbanova. Crystal Structure of the Putidaredoxin Reductase X Putidaredoxin Electron Transfer Complex. J.Biol.Chem. V. 285 13616 2010.
ISSN: ISSN 0021-9258
PubMed: 20179327
DOI: 10.1074/JBC.M110.104968
Page generated: Sun Aug 4 14:16:40 2024

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