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Iron in PDB 6aiq: High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein

Protein crystallography data

The structure of High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein, PDB code: 6aiq was solved by Y.Hanazono, K.Takeda, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.32 / 0.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.269, 58.640, 23.528, 90.00, 90.00, 90.00
R / Rfree (%) 7.9 / 9.2

Iron Binding Sites:

The binding sites of Iron atom in the High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein (pdb code 6aiq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein, PDB code: 6aiq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6aiq

Go back to Iron Binding Sites List in 6aiq
Iron binding site 1 out of 4 in the High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:1.6
occ:1.00
 FE1 A:SF4101 0.0 1.6 1.0
SG A:CYS43 2.2 1.9 1.0
S2 A:SF4101 2.2 1.8 1.0
S4 A:SF4101 2.3 1.8 1.0
S3 A:SF4101 2.3 1.8 1.0
FE3 A:SF4101 2.7 1.7 1.0
FE4 A:SF4101 2.7 1.7 1.0
FE2 A:SF4101 2.8 1.6 1.0
HA A:CYS43 3.0 2.0 1.0
CB A:CYS43 3.2 1.9 1.0
HB3 A:CYS43 3.2 2.2 1.0
HG12 A:ILE69 3.6 3.3 1.0
CA A:CYS43 3.6 1.6 1.0
S1 A:SF4101 3.8 1.9 1.0
HA A:TRP74 4.0 2.0 1.0
HB2 A:CYS43 4.1 2.2 1.0
HD12 A:ILE69 4.1 4.4 1.0
H A:CYS75 4.2 1.9 1.0
HE1 A:TYR19 4.2 2.7 1.0
HB3 A:CYS46 4.3 2.3 1.0
N A:CYS43 4.4 1.7 1.0
HD1 A:TYR19 4.4 2.7 1.0
CG1 A:ILE69 4.4 2.7 1.0
HG21 A:ILE69 4.5 4.7 1.0
HB2 A:CYS61 4.5 2.7 1.0
HB A:ILE69 4.5 2.7 1.0
N A:CYS75 4.6 1.6 1.0
HB2 A:CYS46 4.6 2.3 1.0
H A:CYS43 4.6 2.1 1.0
CD1 A:ILE69 4.6 3.0 1.0
HD11 A:ILE69 4.6 4.4 1.0
CA A:TRP74 4.7 1.6 1.0
HB3 A:CYS75 4.7 2.0 1.0
C A:TRP74 4.7 1.6 1.0
CB A:CYS46 4.8 1.9 1.0
SG A:CYS46 4.8 1.7 1.0
SG A:CYS75 4.8 2.0 1.0
C A:CYS43 4.8 1.7 1.0
HD1 A:TRP78 4.8 2.0 1.0
SG A:CYS61 4.8 2.3 1.0
N A:TRP74 4.8 1.8 1.0
O A:CYS43 4.9 2.1 1.0
CB A:ILE69 4.9 2.2 1.0
HB2 A:MET49 5.0 3.4 0.7
CE1 A:TYR19 5.0 2.2 1.0
C A:GLY73 5.0 1.6 1.0

Iron binding site 2 out of 4 in 6aiq

Go back to Iron Binding Sites List in 6aiq
Iron binding site 2 out of 4 in the High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:1.6
occ:1.00
 FE2 A:SF4101 0.0 1.6 1.0
S1 A:SF4101 2.2 1.9 1.0
SG A:CYS46 2.2 1.7 1.0
S3 A:SF4101 2.3 1.8 1.0
S4 A:SF4101 2.3 1.8 1.0
FE3 A:SF4101 2.7 1.7 1.0
FE4 A:SF4101 2.7 1.7 1.0
FE1 A:SF4101 2.8 1.6 1.0
HB3 A:CYS46 3.0 2.3 1.0
CB A:CYS46 3.1 1.9 1.0
HB2 A:CYS46 3.2 2.3 1.0
HB2 A:PHE48 3.2 1.8 0.4
HB2 A:PHE48 3.4 3.7 0.6
HA A:TRP78 3.4 2.0 1.0
HD2 A:PHE48 3.7 2.2 0.4
HA A:CYS43 3.8 2.0 1.0
S2 A:SF4101 3.9 1.8 1.0
HD2 A:PHE48 3.9 3.9 0.6
H A:PHE48 4.1 2.4 1.0
HD1 A:TRP78 4.1 2.0 1.0
CB A:PHE48 4.2 1.5 0.4
CA A:TRP78 4.3 1.7 1.0
CB A:PHE48 4.3 3.1 0.6
H A:THR79 4.4 2.0 1.0
CD2 A:PHE48 4.5 1.9 0.4
CA A:CYS46 4.5 1.8 1.0
H A:MET49 4.6 2.8 1.0
SG A:CYS61 4.6 2.3 1.0
N A:TRP78 4.6 1.9 1.0
HB3 A:PHE48 4.6 1.8 0.4
CD1 A:TRP78 4.7 1.7 1.0
CA A:CYS43 4.7 1.6 1.0
CD2 A:PHE48 4.7 3.2 0.6
SG A:CYS75 4.7 2.0 1.0
SG A:CYS43 4.7 1.9 1.0
N A:PHE48 4.7 2.0 1.0
HB2 A:MET49 4.7 3.2 0.3
HB2 A:MET49 4.8 3.4 0.7
HB3 A:PHE48 4.8 3.7 0.6
HB2 A:TRP78 4.8 2.2 1.0
HB3 A:CYS43 4.8 2.2 1.0
O A:SER77 4.8 2.4 1.0
H A:CYS75 4.8 1.9 1.0
N A:MET49 4.8 2.3 1.0
HB2 A:SER77 4.8 3.5 0.5
CA A:PHE48 4.9 1.3 0.4
CG A:PHE48 4.9 2.1 0.4
C A:SER77 4.9 1.8 1.0
HA A:CYS46 4.9 2.1 1.0
CA A:PHE48 4.9 2.7 0.6
O A:CYS43 5.0 2.1 1.0
C A:CYS46 5.0 1.6 1.0
CB A:TRP78 5.0 1.8 1.0
H A:TRP78 5.0 2.3 1.0

Iron binding site 3 out of 4 in 6aiq

Go back to Iron Binding Sites List in 6aiq
Iron binding site 3 out of 4 in the High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:1.7
occ:1.00
 FE3 A:SF4101 0.0 1.7 1.0
SG A:CYS61 2.2 2.3 1.0
S4 A:SF4101 2.3 1.8 1.0
S1 A:SF4101 2.3 1.9 1.0
S2 A:SF4101 2.3 1.8 1.0
FE1 A:SF4101 2.7 1.6 1.0
FE2 A:SF4101 2.7 1.6 1.0
FE4 A:SF4101 2.7 1.7 1.0
HB2 A:CYS61 3.0 2.7 1.0
CB A:CYS61 3.2 2.2 1.0
HB2 A:PHE48 3.5 1.8 0.4
HB2 A:PHE48 3.6 3.7 0.6
HG12 A:ILE69 3.6 3.3 1.0
HB3 A:CYS61 3.8 2.7 1.0
S3 A:SF4101 3.9 1.8 1.0
HD2 A:PHE64 4.0 3.2 1.0
HE2 A:PHE64 4.1 4.1 1.0
HG21 A:ILE69 4.1 4.7 1.0
HB3 A:PHE48 4.1 1.8 0.4
HG A:LEU63 4.2 3.2 1.0
HB3 A:PHE48 4.2 3.7 0.6
HA A:CYS61 4.2 2.8 1.0
HD11 A:LEU63 4.3 5.3 1.0
CB A:PHE48 4.3 1.5 0.4
CA A:CYS61 4.4 2.3 1.0
CB A:PHE48 4.4 3.1 0.6
HB2 A:LEU63 4.5 3.1 1.0
SG A:CYS75 4.5 2.0 1.0
CG1 A:ILE69 4.6 2.7 1.0
CD2 A:PHE64 4.7 2.7 1.0
SG A:CYS46 4.7 1.7 1.0
SG A:CYS43 4.7 1.9 1.0
CE2 A:PHE64 4.7 3.4 1.0
H A:LEU63 4.7 2.8 1.0
HD2 A:PHE48 4.8 2.2 0.4
HA A:MET49 4.9 3.5 0.7
HG13 A:ILE69 4.9 3.3 1.0
HA A:MET49 4.9 2.1 0.3
C A:PHE48 4.9 2.1 1.0
CD1 A:LEU63 4.9 3.6 1.0
CG A:LEU63 4.9 2.7 1.0
O A:PHE48 5.0 2.9 1.0
HD2 A:PHE48 5.0 3.9 0.6
HD12 A:LEU63 5.0 5.3 1.0

Iron binding site 4 out of 4 in 6aiq

Go back to Iron Binding Sites List in 6aiq
Iron binding site 4 out of 4 in the High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of High Resolution Structure of Recombinant High-Potential Iron-Sulfur Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:1.7
occ:1.00
 FE4 A:SF4101 0.0 1.7 1.0
SG A:CYS75 2.2 2.0 1.0
S1 A:SF4101 2.3 1.9 1.0
S3 A:SF4101 2.3 1.8 1.0
S2 A:SF4101 2.3 1.8 1.0
FE3 A:SF4101 2.7 1.7 1.0
FE2 A:SF4101 2.7 1.6 1.0
FE1 A:SF4101 2.7 1.6 1.0
HB3 A:CYS75 3.2 2.0 1.0
CB A:CYS75 3.2 1.7 1.0
H A:CYS75 3.3 1.9 1.0
N A:CYS75 3.6 1.6 1.0
HB2 A:SER77 3.7 3.5 0.5
S4 A:SF4101 3.8 1.8 1.0
CA A:CYS75 3.9 1.6 1.0
HB2 A:CYS75 4.1 2.0 1.0
HE2 A:PHE64 4.1 4.1 1.0
O A:CYS75 4.2 1.8 1.0
HB2 A:SER77 4.2 2.5 0.5
C A:CYS75 4.2 1.6 1.0
HD11 A:LEU63 4.3 5.3 1.0
HA A:TRP78 4.3 2.0 1.0
H A:SER77 4.3 2.8 1.0
HD1 A:TYR19 4.3 2.7 1.0
H A:TRP78 4.4 2.3 1.0
N A:TRP78 4.4 1.9 1.0
C A:TRP74 4.4 1.6 1.0
CB A:SER77 4.6 2.9 0.5
HA A:TRP74 4.6 2.0 1.0
SG A:CYS61 4.6 2.3 1.0
C A:SER77 4.7 1.8 1.0
SG A:CYS43 4.7 1.9 1.0
HB2 A:TRP78 4.7 2.2 1.0
SG A:CYS46 4.8 1.7 1.0
HA A:CYS75 4.8 1.9 1.0
CA A:TRP78 4.8 1.7 1.0
N A:SER77 4.8 2.3 1.0
HB3 A:SER77 5.0 3.5 0.5
CA A:SER77 5.0 2.6 0.5
HD2 A:PHE48 5.0 2.2 0.4
HB2 A:PHE48 5.0 1.8 0.4

Reference:

Y.Hanazono, K.Takeda, K.Miki. Characterization of Perdeuterated High-Potential Iron-Sulfur Protein with High-Resolution X-Ray Crystallography. Proteins 2019.
ISSN: ESSN 1097-0134
PubMed: 31365157
DOI: 10.1002/PROT.25793
Page generated: Tue Aug 6 13:38:20 2024

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