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Iron in PDB 5b3i: Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus

Protein crystallography data

The structure of Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus, PDB code: 5b3i was solved by S.Fujii, H.Oki, K.Kawahara, D.Yamane, M.Yamanaka, T.Maruno, Y.Kobayashi, M.Masanari, S.Wakai, H.Nishihara, T.Ohkubo, Y.Sambongi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.95 / 1.89
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 54.243, 72.923, 132.365, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 24.3

Iron Binding Sites:

The binding sites of Iron atom in the Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus (pdb code 5b3i). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus, PDB code: 5b3i:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5b3i

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Iron binding site 1 out of 4 in the Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:15.0
occ:1.00
FE A:HEC201 0.0 15.0 1.0
ND A:HEC201 1.9 14.8 1.0
NA A:HEC201 2.0 15.1 1.0
NC A:HEC201 2.1 15.3 1.0
NB A:HEC201 2.1 14.9 1.0
NE2 A:HIS128 2.2 15.5 1.0
C1D A:HEC201 2.9 14.8 1.0
CD1 A:TYR16 2.9 15.3 1.0
C4D A:HEC201 3.0 15.2 1.0
C1A A:HEC201 3.0 14.9 1.0
C4C A:HEC201 3.0 15.2 1.0
C4B A:HEC201 3.1 15.5 1.0
C4A A:HEC201 3.1 14.8 1.0
C1C A:HEC201 3.1 14.9 1.0
CD2 A:HIS128 3.1 15.2 1.0
C1B A:HEC201 3.1 15.1 1.0
CE1 A:HIS128 3.2 15.5 1.0
CE1 A:TYR16 3.3 15.5 1.0
CHD A:HEC201 3.3 14.9 1.0
CG A:TYR16 3.4 14.6 1.0
CHA A:HEC201 3.4 15.1 1.0
CHC A:HEC201 3.5 14.9 1.0
CHB A:HEC201 3.6 14.8 1.0
CB A:TYR16 3.9 14.2 1.0
CZ A:TYR16 4.1 15.3 1.0
C2D A:HEC201 4.2 15.1 1.0
CD2 A:TYR16 4.2 14.7 1.0
C3D A:HEC201 4.2 15.2 1.0
C2A A:HEC201 4.2 14.8 1.0
C3A A:HEC201 4.2 14.8 1.0
C3C A:HEC201 4.3 15.2 1.0
C2C A:HEC201 4.3 15.7 1.0
CG A:HIS128 4.3 16.5 1.0
ND1 A:HIS128 4.3 16.7 1.0
C3B A:HEC201 4.3 15.2 1.0
C2B A:HEC201 4.4 14.8 1.0
CE2 A:TYR16 4.5 15.3 1.0
NH1 A:ARG132 4.6 17.2 1.0
CD A:ARG132 4.9 16.4 1.0

Iron binding site 2 out of 4 in 5b3i

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Iron binding site 2 out of 4 in the Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:16.1
occ:1.00
FE B:HEC201 0.0 16.1 1.0
ND B:HEC201 1.9 15.9 1.0
NA B:HEC201 2.0 16.0 1.0
NC B:HEC201 2.1 15.8 1.0
NB B:HEC201 2.1 15.8 1.0
NE2 B:HIS128 2.2 16.7 1.0
CD1 B:TYR16 2.8 16.3 1.0
C1D B:HEC201 2.9 15.9 1.0
C4D B:HEC201 3.0 16.3 1.0
C1A B:HEC201 3.0 16.1 1.0
C4B B:HEC201 3.0 15.6 1.0
C4C B:HEC201 3.0 15.6 1.0
C4A B:HEC201 3.1 15.7 1.0
CE1 B:HIS128 3.1 16.5 1.0
C1B B:HEC201 3.1 15.8 1.0
C1C B:HEC201 3.1 15.8 1.0
CE1 B:TYR16 3.2 16.0 1.0
CD2 B:HIS128 3.2 16.6 1.0
CHD B:HEC201 3.4 15.3 1.0
CHA B:HEC201 3.4 15.8 1.0
CHC B:HEC201 3.4 15.5 1.0
CG B:TYR16 3.5 15.9 1.0
CHB B:HEC201 3.5 15.9 1.0
CZ B:TYR16 4.0 15.4 1.0
CB B:TYR16 4.1 14.9 1.0
C2D B:HEC201 4.2 15.7 1.0
C3D B:HEC201 4.2 16.2 1.0
CD2 B:TYR16 4.2 15.5 1.0
ND1 B:HIS128 4.2 17.6 1.0
C2A B:HEC201 4.2 16.0 1.0
C3A B:HEC201 4.3 16.1 1.0
C3C B:HEC201 4.3 15.2 1.0
C2C B:HEC201 4.3 15.6 1.0
C2B B:HEC201 4.3 15.9 1.0
CG B:HIS128 4.3 17.7 1.0
C3B B:HEC201 4.3 15.7 1.0
CE2 B:TYR16 4.5 15.2 1.0
NH1 B:ARG132 4.5 16.6 1.0
OH B:TYR16 4.8 15.3 1.0

Iron binding site 3 out of 4 in 5b3i

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Iron binding site 3 out of 4 in the Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:16.2
occ:1.00
FE C:HEC201 0.0 16.2 1.0
ND C:HEC201 1.9 15.7 1.0
NA C:HEC201 2.0 16.5 1.0
NC C:HEC201 2.1 16.1 1.0
NB C:HEC201 2.1 16.0 1.0
NE2 C:HIS128 2.2 17.0 1.0
C1D C:HEC201 2.9 16.0 1.0
CD1 C:TYR16 3.0 16.0 1.0
C4D C:HEC201 3.0 16.2 1.0
C4B C:HEC201 3.0 15.8 1.0
C1A C:HEC201 3.0 16.0 1.0
C4C C:HEC201 3.0 16.7 1.0
C1C C:HEC201 3.1 15.9 1.0
C4A C:HEC201 3.1 16.3 1.0
C1B C:HEC201 3.1 15.7 1.0
CD2 C:HIS128 3.1 17.0 1.0
CE1 C:HIS128 3.2 17.7 1.0
CE1 C:TYR16 3.3 15.8 1.0
CG C:TYR16 3.3 15.3 1.0
CHD C:HEC201 3.4 16.0 1.0
CHC C:HEC201 3.4 15.2 1.0
CHA C:HEC201 3.5 15.9 1.0
CHB C:HEC201 3.5 15.7 1.0
CB C:TYR16 3.9 15.0 1.0
CD2 C:TYR16 4.0 15.0 1.0
CZ C:TYR16 4.0 15.7 1.0
C2D C:HEC201 4.2 15.9 1.0
C3D C:HEC201 4.2 15.8 1.0
C2A C:HEC201 4.3 16.0 1.0
C2C C:HEC201 4.3 16.1 1.0
C3C C:HEC201 4.3 16.6 1.0
ND1 C:HIS128 4.3 17.7 1.0
C3B C:HEC201 4.3 15.7 1.0
C3A C:HEC201 4.3 15.9 1.0
C2B C:HEC201 4.3 15.2 1.0
CG C:HIS128 4.3 18.4 1.0
CE2 C:TYR16 4.3 15.2 1.0
NH1 C:ARG132 4.5 18.3 1.0
OH C:TYR16 4.9 16.5 1.0

Iron binding site 4 out of 4 in 5b3i

Go back to Iron Binding Sites List in 5b3i
Iron binding site 4 out of 4 in the Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Homo-Dimeric Structure of Cytochrome C' From Thermophilic Hydrogenophilus Thermoluteolus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:15.4
occ:1.00
FE D:HEC201 0.0 15.4 1.0
ND D:HEC201 1.9 15.5 1.0
NA D:HEC201 2.0 15.3 1.0
NC D:HEC201 2.1 15.6 1.0
NB D:HEC201 2.1 15.2 1.0
NE2 D:HIS128 2.2 16.5 1.0
CD1 D:TYR16 2.8 15.5 1.0
C1D D:HEC201 2.9 14.9 1.0
C4D D:HEC201 3.0 15.1 1.0
C1A D:HEC201 3.0 15.4 1.0
C4B D:HEC201 3.0 15.4 1.0
C4C D:HEC201 3.0 16.2 1.0
C4A D:HEC201 3.1 15.6 1.0
C1C D:HEC201 3.1 15.7 1.0
C1B D:HEC201 3.1 15.1 1.0
CD2 D:HIS128 3.1 16.6 1.0
CE1 D:HIS128 3.2 16.9 1.0
CE1 D:TYR16 3.2 16.1 1.0
CG D:TYR16 3.3 14.9 1.0
CHD D:HEC201 3.3 15.4 1.0
CHA D:HEC201 3.4 15.8 1.0
CHC D:HEC201 3.4 15.6 1.0
CHB D:HEC201 3.5 15.2 1.0
CB D:TYR16 3.8 14.7 1.0
CZ D:TYR16 4.0 15.4 1.0
CD2 D:TYR16 4.0 15.4 1.0
C2D D:HEC201 4.2 15.8 1.0
C3D D:HEC201 4.2 15.7 1.0
C2A D:HEC201 4.2 15.9 1.0
C3A D:HEC201 4.3 15.5 1.0
ND1 D:HIS128 4.3 17.2 1.0
C2C D:HEC201 4.3 15.8 1.0
C3C D:HEC201 4.3 15.4 1.0
CG D:HIS128 4.3 17.5 1.0
C2B D:HEC201 4.3 15.2 1.0
C3B D:HEC201 4.3 15.6 1.0
CE2 D:TYR16 4.3 15.1 1.0
NH1 D:ARG132 4.5 18.7 1.0
OH D:TYR16 4.9 15.1 1.0

Reference:

S.Fujii, H.Oki, K.Kawahara, D.Yamane, M.Yamanaka, T.Maruno, Y.Kobayashi, M.Masanari, S.Wakai, H.Nishihara, T.Ohkubo, Y.Sambongi. Structural and Functional Insights Into Thermally Stable Cytochrome C' From A Thermophile Protein Sci. V. 26 737 2017.
ISSN: ESSN 1469-896X
PubMed: 28097774
DOI: 10.1002/PRO.3120
Page generated: Mon Aug 5 19:59:55 2024

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