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Iron in PDB 1iua: Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum

Protein crystallography data

The structure of Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum, PDB code: 1iua was solved by L.Liu, T.Nogi, M.Kobayashi, T.Nozawa, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 0.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.697, 58.272, 23.454, 90.00, 90.00, 90.00
R / Rfree (%) 9.2 / 11.4

Iron Binding Sites:

The binding sites of Iron atom in the Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum (pdb code 1iua). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum, PDB code: 1iua:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1iua

Go back to Iron Binding Sites List in 1iua
Iron binding site 1 out of 4 in the Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe84

b:3.0
occ:1.00
 FE1 A:SF484 0.0 3.0 1.0
S2 A:SF484 2.2 3.2 1.0
SG A:CYS43 2.3 3.3 1.0
S4 A:SF484 2.3 3.2 1.0
S3 A:SF484 2.3 3.2 1.0
FE4 A:SF484 2.7 3.0 1.0
FE3 A:SF484 2.7 3.1 1.0
FE2 A:SF484 2.8 3.1 1.0
CB A:CYS43 3.2 3.4 1.0
CA A:CYS43 3.6 3.3 1.0
S1 A:SF484 3.9 3.3 1.0
N A:CYS43 4.4 3.2 1.0
N A:CYS75 4.5 3.1 1.0
CG1 A:ILE69 4.5 4.9 1.0
CA A:TRP74 4.6 3.1 1.0
C A:TRP74 4.6 3.2 1.0
N A:TRP74 4.8 3.2 1.0
CD1 A:ILE69 4.8 5.5 1.0
CB A:CYS46 4.8 3.5 1.0
SG A:CYS46 4.8 3.4 1.0
SG A:CYS75 4.8 3.3 1.0
C A:CYS43 4.8 3.3 1.0
SG A:CYS61 4.8 3.9 1.0
CE1 A:TYR19 5.0 4.8 1.0
CB A:ILE69 5.0 4.5 1.0
O A:CYS43 5.0 3.9 1.0
C A:GLY73 5.0 3.2 1.0

Iron binding site 2 out of 4 in 1iua

Go back to Iron Binding Sites List in 1iua
Iron binding site 2 out of 4 in the Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe84

b:3.1
occ:1.00
 FE2 A:SF484 0.0 3.1 1.0
S1 A:SF484 2.2 3.3 1.0
SG A:CYS46 2.3 3.4 1.0
S3 A:SF484 2.3 3.2 1.0
S4 A:SF484 2.3 3.2 1.0
FE3 A:SF484 2.7 3.1 1.0
FE4 A:SF484 2.7 3.0 1.0
FE1 A:SF484 2.8 3.0 1.0
CB A:CYS46 3.1 3.5 1.0
S2 A:SF484 3.9 3.2 1.0
CB A:PHE48 4.2 3.6 1.0
CA A:TRP78 4.2 3.3 1.0
CA A:CYS46 4.6 3.6 1.0
N A:TRP78 4.6 3.4 1.0
CD2 A:PHE48 4.6 4.9 1.0
SG A:CYS61 4.6 3.9 1.0
N A:PHE48 4.7 3.7 1.0
CA A:CYS43 4.7 3.3 1.0
CD1 A:TRP78 4.7 3.4 1.0
N A:MET49 4.7 3.8 1.0
SG A:CYS75 4.8 3.3 1.0
O A:SER77 4.8 4.4 1.0
SG A:CYS43 4.8 3.3 1.0
CA A:PHE48 4.8 3.8 1.0
C A:SER77 4.8 3.6 1.0
C A:PHE48 4.9 3.8 1.0
CG A:PHE48 5.0 3.9 1.0
CB A:TRP78 5.0 3.5 1.0
N A:THR79 5.0 3.7 1.0
C A:CYS46 5.0 3.6 1.0

Iron binding site 3 out of 4 in 1iua

Go back to Iron Binding Sites List in 1iua
Iron binding site 3 out of 4 in the Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe84

b:3.1
occ:1.00
 FE3 A:SF484 0.0 3.1 1.0
S4 A:SF484 2.2 3.2 1.0
SG A:CYS61 2.3 3.9 1.0
S1 A:SF484 2.3 3.3 1.0
S2 A:SF484 2.3 3.2 1.0
FE2 A:SF484 2.7 3.1 1.0
FE1 A:SF484 2.7 3.0 1.0
FE4 A:SF484 2.7 3.0 1.0
CB A:CYS61 3.3 4.2 1.0
S3 A:SF484 3.9 3.2 1.0
CB A:PHE48 4.3 3.6 1.0
CA A:CYS61 4.4 3.9 1.0
SG A:CYS75 4.5 3.3 1.0
CD2 A:PHE64 4.7 4.6 1.0
CG1 A:ILE69 4.7 4.9 1.0
SG A:CYS43 4.7 3.3 1.0
SG A:CYS46 4.7 3.4 1.0
CE2 A:PHE64 4.7 5.6 1.0
C A:PHE48 4.9 3.8 1.0
CG A:LEU63 4.9 4.4 1.0
CD1 A:LEU63 4.9 5.0 1.0
CG2 A:ILE69 5.0 6.2 1.0
O A:PHE48 5.0 4.5 1.0

Iron binding site 4 out of 4 in 1iua

Go back to Iron Binding Sites List in 1iua
Iron binding site 4 out of 4 in the Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ultra-High Resolution Structure of Hipip From Thermochromatium Tepidum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe84

b:3.0
occ:1.00
 FE4 A:SF484 0.0 3.0 1.0
SG A:CYS75 2.3 3.3 1.0
S3 A:SF484 2.3 3.2 1.0
S1 A:SF484 2.3 3.3 1.0
S2 A:SF484 2.3 3.2 1.0
FE1 A:SF484 2.7 3.0 1.0
FE2 A:SF484 2.7 3.1 1.0
FE3 A:SF484 2.7 3.1 1.0
CB A:CYS75 3.2 3.2 1.0
N A:CYS75 3.6 3.1 1.0
CA A:CYS75 3.8 3.2 1.0
S4 A:SF484 3.9 3.2 1.0
O A:CYS75 4.1 3.4 1.0
C A:CYS75 4.2 3.2 1.0
N A:TRP78 4.4 3.4 1.0
C A:TRP74 4.4 3.2 1.0
C A:SER77 4.6 3.6 1.0
SG A:CYS61 4.7 3.9 1.0
CA A:TRP78 4.7 3.3 1.0
SG A:CYS43 4.7 3.3 1.0
CB A:SER77 4.8 4.8 1.0
N A:SER77 4.8 3.7 1.0
SG A:CYS46 4.8 3.4 1.0
CA A:SER77 4.9 3.8 1.0

Reference:

L.Liu, T.Nogi, M.Kobayashi, T.Nozawa, K.Miki. Ultrahigh-Resolution Structure of High-Potential Iron-Sulfur Protein From Thermochromatium Tepidum. Acta Crystallogr.,Sect.D V. 58 1085 2002.
ISSN: ISSN 0907-4449
PubMed: 12077426
DOI: 10.1107/S0907444902006261
Page generated: Sat Aug 3 08:14:44 2024

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