Atomistry » Iron » PDB 5why-5xbp » 5wqr
Atomistry »
  Iron »
    PDB 5why-5xbp »
      5wqr »

Iron in PDB 5wqr: High Resolution Structure of High-Potential Iron-Sulfur Protein in the Reduced State

Protein crystallography data

The structure of High Resolution Structure of High-Potential Iron-Sulfur Protein in the Reduced State, PDB code: 5wqr was solved by H.Ohno, K.Takeda, S.Niwa, T.Tsujinaka, Y.Hanazono, Y.Hirano, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.96 / 0.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.330, 58.811, 23.423, 90.00, 90.00, 90.00
R / Rfree (%) 10.6 / 11.8

Iron Binding Sites:

The binding sites of Iron atom in the High Resolution Structure of High-Potential Iron-Sulfur Protein in the Reduced State (pdb code 5wqr). 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 High-Potential Iron-Sulfur Protein in the Reduced State, PDB code: 5wqr:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5wqr

Go back to Iron Binding Sites List in 5wqr
Iron binding site 1 out of 4 in the High Resolution Structure of High-Potential Iron-Sulfur Protein in the Reduced State


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 High-Potential Iron-Sulfur Protein in the Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:1.9
occ:1.00
FE1 A:SF4101 0.0 1.9 1.0
S2 A:SF4101 2.2 2.1 1.0
SG A:CYS43 2.2 2.1 1.0
S4 A:SF4101 2.3 2.1 1.0
S3 A:SF4101 2.3 2.0 1.0
FE4 A:SF4101 2.7 2.0 1.0
FE3 A:SF4101 2.7 2.0 1.0
FE2 A:SF4101 2.8 1.9 1.0
HA A:CYS43 3.1 2.4 1.0
CB A:CYS43 3.2 2.0 1.0
HB3 A:CYS43 3.2 2.5 1.0
CA A:CYS43 3.6 2.0 1.0
HG12 A:ILE69 3.7 3.5 1.0
S1 A:SF4101 3.9 2.1 1.0
HA A:TRP74 3.9 2.4 1.0
HB2 A:CYS43 4.1 2.5 1.0
H A:CYS75 4.1 2.2 1.0
HE1 A:TYR19 4.2 3.4 1.0
HD12 A:ILE69 4.3 4.9 1.0
HG21 A:ILE69 4.3 5.0 1.0
HB3 A:CYS46 4.4 2.7 1.0
HD1 A:TYR19 4.4 3.1 1.0
N A:CYS43 4.4 2.1 1.0
CG1 A:ILE69 4.5 2.9 1.0
HB A:ILE69 4.5 3.0 1.0
HB2 A:CYS61 4.5 3.2 1.0
N A:CYS75 4.5 1.8 1.0
H A:CYS43 4.5 2.5 1.0
HB2 A:CYS46 4.5 2.7 1.0
CA A:TRP74 4.6 2.0 1.0
C A:TRP74 4.7 1.9 1.0
HB3 A:CYS75 4.7 2.5 1.0
HD1 A:TRP78 4.8 2.4 1.0
CB A:CYS46 4.8 2.2 1.0
N A:TRP74 4.8 2.1 1.0
CD1 A:ILE69 4.8 3.2 1.0
SG A:CYS46 4.8 2.0 1.0
HB2 A:MET49 4.8 2.0 0.4
SG A:CYS75 4.8 2.2 1.0
SG A:CYS61 4.8 2.4 1.0
HD11 A:ILE69 4.8 4.9 1.0
C A:CYS43 4.9 2.1 1.0
CE1 A:TYR19 4.9 2.8 1.0
CB A:ILE69 4.9 2.5 1.0
C A:GLY73 5.0 1.9 1.0
CD1 A:TYR19 5.0 2.6 1.0

Iron binding site 2 out of 4 in 5wqr

Go back to Iron Binding Sites List in 5wqr
Iron binding site 2 out of 4 in the High Resolution Structure of High-Potential Iron-Sulfur Protein in the Reduced State


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 High-Potential Iron-Sulfur Protein in the Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:1.9
occ:1.00
FE2 A:SF4101 0.0 1.9 1.0
S1 A:SF4101 2.2 2.1 1.0
SG A:CYS46 2.3 2.0 1.0
S3 A:SF4101 2.3 2.0 1.0
S4 A:SF4101 2.3 2.1 1.0
FE3 A:SF4101 2.7 2.0 1.0
FE4 A:SF4101 2.7 2.0 1.0
FE1 A:SF4101 2.8 1.9 1.0
HB3 A:CYS46 3.1 2.7 1.0
CB A:CYS46 3.1 2.2 1.0
HB2 A:CYS46 3.2 2.7 1.0
HB2 A:PHE48 3.2 3.1 1.0
HA A:TRP78 3.3 2.4 1.0
HD2 A:PHE48 3.8 4.5 1.0
HA A:CYS43 3.8 2.4 1.0
S2 A:SF4101 3.9 2.1 1.0
H A:PHE48 4.0 2.5 1.0
HD1 A:TRP78 4.1 2.4 1.0
CB A:PHE48 4.2 2.6 1.0
CA A:TRP78 4.2 2.0 1.0
H A:THR79 4.3 2.6 1.0
CA A:CYS46 4.6 2.1 1.0
N A:TRP78 4.6 2.2 1.0
CD2 A:PHE48 4.6 3.8 1.0
HB3 A:PHE48 4.6 3.1 1.0
H A:MET49 4.6 2.8 1.0
SG A:CYS61 4.6 2.4 1.0
CD1 A:TRP78 4.7 2.0 1.0
N A:PHE48 4.7 2.1 1.0
CA A:CYS43 4.7 2.0 1.0
HB2 A:MET49 4.7 2.0 0.4
HB2 A:TRP78 4.7 2.5 1.0
SG A:CYS75 4.8 2.2 1.0
SG A:CYS43 4.8 2.1 1.0
HB2 A:MET49 4.8 2.7 0.6
HB3 A:CYS43 4.8 2.5 1.0
H A:CYS75 4.8 2.2 1.0
CA A:PHE48 4.8 2.2 1.0
O A:SER77 4.8 2.7 1.0
C A:SER77 4.8 2.2 1.0
N A:MET49 4.9 2.3 1.0
HA A:CYS46 4.9 2.5 1.0
CG A:PHE48 4.9 2.7 1.0
CB A:TRP78 4.9 2.1 1.0
H A:TRP78 5.0 2.6 1.0
C A:PHE48 5.0 2.2 1.0
N A:THR79 5.0 2.2 1.0

Iron binding site 3 out of 4 in 5wqr

Go back to Iron Binding Sites List in 5wqr
Iron binding site 3 out of 4 in the High Resolution Structure of High-Potential Iron-Sulfur Protein in the Reduced State


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 High-Potential Iron-Sulfur Protein in the Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:2.0
occ:1.00
FE3 A:SF4101 0.0 2.0 1.0
S4 A:SF4101 2.2 2.1 1.0
SG A:CYS61 2.3 2.4 1.0
S1 A:SF4101 2.3 2.1 1.0
S2 A:SF4101 2.3 2.1 1.0
FE2 A:SF4101 2.7 1.9 1.0
FE1 A:SF4101 2.7 1.9 1.0
FE4 A:SF4101 2.7 2.0 1.0
HB2 A:CYS61 3.0 3.2 1.0
CB A:CYS61 3.2 2.7 1.0
HB2 A:PHE48 3.5 3.1 1.0
HG12 A:ILE69 3.7 3.5 1.0
HB3 A:CYS61 3.8 3.2 1.0
S3 A:SF4101 3.9 2.0 1.0
HD2 A:PHE64 4.0 3.3 1.0
HG21 A:ILE69 4.0 5.0 1.0
HE2 A:PHE64 4.0 3.6 1.0
HB3 A:PHE48 4.1 3.1 1.0
HG A:LEU63 4.1 3.4 1.0
HA A:CYS61 4.2 2.9 1.0
HD13 A:LEU63 4.2 5.1 1.0
CB A:PHE48 4.3 2.6 1.0
CA A:CYS61 4.3 2.4 1.0
HB2 A:LEU63 4.5 3.0 1.0
SG A:CYS75 4.5 2.2 1.0
CD2 A:PHE64 4.7 2.8 1.0
H A:LEU63 4.7 2.8 1.0
CG1 A:ILE69 4.7 2.9 1.0
CE2 A:PHE64 4.7 3.0 1.0
SG A:CYS43 4.7 2.1 1.0
SG A:CYS46 4.7 2.0 1.0
CG A:LEU63 4.9 2.8 1.0
HA A:MET49 4.9 2.7 0.4
C A:PHE48 4.9 2.2 1.0
CG2 A:ILE69 4.9 3.4 1.0
HA A:MET49 4.9 3.1 0.6
CD1 A:LEU63 4.9 3.4 1.0
HD2 A:PHE48 4.9 4.5 1.0
O A:PHE48 5.0 2.9 1.0
HG13 A:ILE69 5.0 3.5 1.0
HB3 A:CYS43 5.0 2.5 1.0

Iron binding site 4 out of 4 in 5wqr

Go back to Iron Binding Sites List in 5wqr
Iron binding site 4 out of 4 in the High Resolution Structure of High-Potential Iron-Sulfur Protein in the Reduced State


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 High-Potential Iron-Sulfur Protein in the Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:2.0
occ:1.00
FE4 A:SF4101 0.0 2.0 1.0
S3 A:SF4101 2.3 2.0 1.0
SG A:CYS75 2.3 2.2 1.0
S1 A:SF4101 2.3 2.1 1.0
S2 A:SF4101 2.3 2.1 1.0
FE1 A:SF4101 2.7 1.9 1.0
FE2 A:SF4101 2.7 1.9 1.0
FE3 A:SF4101 2.7 2.0 1.0
HB3 A:CYS75 3.2 2.5 1.0
H A:CYS75 3.2 2.2 1.0
CB A:CYS75 3.3 2.1 1.0
N A:CYS75 3.6 1.8 1.0
CA A:CYS75 3.8 2.0 1.0
S4 A:SF4101 3.9 2.1 1.0
HB2 A:SER77 3.9 4.2 1.0
HB2 A:CYS75 4.1 2.5 1.0
HE2 A:PHE64 4.1 3.6 1.0
O A:CYS75 4.2 2.2 1.0
HA A:TRP78 4.2 2.4 1.0
HD13 A:LEU63 4.2 5.1 1.0
H A:SER77 4.2 2.7 1.0
C A:CYS75 4.2 2.1 1.0
HD1 A:TYR19 4.3 3.1 1.0
H A:TRP78 4.3 2.6 1.0
N A:TRP78 4.3 2.2 1.0
C A:TRP74 4.4 1.9 1.0
HA A:TRP74 4.6 2.4 1.0
C A:SER77 4.6 2.2 1.0
SG A:CYS61 4.7 2.4 1.0
HB2 A:TRP78 4.7 2.5 1.0
CA A:TRP78 4.7 2.0 1.0
SG A:CYS43 4.7 2.1 1.0
HA A:CYS75 4.8 2.4 1.0
CB A:SER77 4.8 3.5 1.0
SG A:CYS46 4.8 2.0 1.0
N A:SER77 4.8 2.3 1.0
CA A:SER77 5.0 2.4 1.0
HB2 A:PHE48 5.0 3.1 1.0

Reference:

H.Ohno, K.Takeda, S.Niwa, T.Tsujinaka, Y.Hanazono, Y.Hirano, K.Miki. Crystallographic Characterization of the High-Potential Iron-Sulfur Protein in the Oxidized State at 0.8 Angstrom Resolution Plos One V. 12 78183 2017.
ISSN: ESSN 1932-6203
PubMed: 28542634
DOI: 10.1371/JOURNAL.PONE.0178183
Page generated: Tue Aug 6 11:17:03 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy