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Iron in PDB 2oz1: The Soxax Complex of Rhodovulum Sulfidophilum

Protein crystallography data

The structure of The Soxax Complex of Rhodovulum Sulfidophilum, PDB code: 2oz1 was solved by M.A.Kihlken, B.C.Berks, A.M.Hemmings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.975, 102.949, 115.706, 90.00, 110.22, 90.00
R / Rfree (%) 18.7 / 24.2

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the The Soxax Complex of Rhodovulum Sulfidophilum (pdb code 2oz1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the The Soxax Complex of Rhodovulum Sulfidophilum, PDB code: 2oz1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 2oz1

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Iron binding site 1 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe952

b:10.1
occ:1.00
FE A:HEC952 0.0 10.1 1.0
NC A:HEC952 2.1 9.7 1.0
NA A:HEC952 2.1 9.0 1.0
ND A:HEC952 2.1 8.9 1.0
NB A:HEC952 2.1 9.1 1.0
NE2 A:HIS80 2.1 7.4 1.0
SG A:CYS114 2.4 11.4 1.0
CE1 A:HIS80 3.0 6.9 1.0
C1A A:HEC952 3.0 8.3 1.0
C4C A:HEC952 3.1 9.5 1.0
C4D A:HEC952 3.1 8.7 1.0
C1C A:HEC952 3.1 8.9 1.0
C4B A:HEC952 3.1 8.8 1.0
C1D A:HEC952 3.1 8.2 1.0
C4A A:HEC952 3.1 8.8 1.0
C1B A:HEC952 3.1 8.0 1.0
CD2 A:HIS80 3.2 6.9 1.0
CHA A:HEC952 3.4 8.1 1.0
CHD A:HEC952 3.4 8.7 1.0
CHC A:HEC952 3.4 8.6 1.0
CHB A:HEC952 3.5 7.8 1.0
CB A:CYS114 3.6 11.2 1.0
ND1 A:HIS80 4.1 6.3 1.0
C2A A:HEC952 4.3 9.3 1.0
C3C A:HEC952 4.3 9.8 1.0
CG A:HIS80 4.3 7.0 1.0
C2C A:HEC952 4.3 9.5 1.0
C3D A:HEC952 4.3 8.8 1.0
C3B A:HEC952 4.3 7.8 1.0
C3A A:HEC952 4.3 8.6 1.0
C2D A:HEC952 4.3 8.4 1.0
C2B A:HEC952 4.3 8.5 1.0
CA A:CYS114 4.9 11.5 1.0

Iron binding site 2 out of 12 in 2oz1

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Iron binding site 2 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe953

b:6.7
occ:1.00
FE A:HEC953 0.0 6.7 1.0
NA A:HEC953 2.0 6.8 1.0
NE2 A:HIS181 2.1 13.6 1.0
NB A:HEC953 2.1 7.0 1.0
NC A:HEC953 2.1 6.7 1.0
ND A:HEC953 2.1 6.7 1.0
SD A:CSS222 2.4 5.2 1.0
CE1 A:HIS181 3.0 12.5 1.0
CD2 A:HIS181 3.1 13.3 1.0
C1A A:HEC953 3.1 5.8 1.0
C4B A:HEC953 3.1 6.5 1.0
C4A A:HEC953 3.1 5.9 1.0
C1B A:HEC953 3.1 6.9 1.0
C4D A:HEC953 3.1 7.0 1.0
C1C A:HEC953 3.1 6.3 1.0
C4C A:HEC953 3.1 7.0 1.0
C1D A:HEC953 3.2 7.1 1.0
CHA A:HEC953 3.4 5.6 1.0
CHC A:HEC953 3.4 5.8 1.0
CHB A:HEC953 3.5 6.2 1.0
CHD A:HEC953 3.5 6.6 1.0
SG A:CSS222 3.6 9.3 1.0
ND1 A:HIS181 4.1 13.0 1.0
CG A:HIS181 4.2 12.7 1.0
C3B A:HEC953 4.3 6.7 1.0
C2B A:HEC953 4.3 7.2 1.0
C2A A:HEC953 4.3 4.4 1.0
C3A A:HEC953 4.3 4.3 1.0
C2C A:HEC953 4.3 7.3 1.0
C3D A:HEC953 4.4 5.5 1.0
C3C A:HEC953 4.4 8.1 1.0
C2D A:HEC953 4.4 5.9 1.0
CB A:CSS222 4.4 7.5 1.0

Iron binding site 3 out of 12 in 2oz1

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Iron binding site 3 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe951

b:12.0
occ:1.00
FE B:HEC951 0.0 12.0 1.0
ND B:HEC951 2.0 9.9 1.0
NA B:HEC951 2.1 10.0 1.0
NB B:HEC951 2.1 10.9 1.0
NE2 B:HIS46 2.1 10.2 1.0
NC B:HEC951 2.2 11.0 1.0
SD B:MET92 2.5 11.6 1.0
CD2 B:HIS46 3.0 12.1 1.0
C4D B:HEC951 3.0 10.2 1.0
C1D B:HEC951 3.1 9.9 1.0
C1A B:HEC951 3.1 9.2 1.0
C1B B:HEC951 3.1 11.2 1.0
C4A B:HEC951 3.1 9.9 1.0
C4C B:HEC951 3.1 10.0 1.0
C4B B:HEC951 3.1 11.2 1.0
C1C B:HEC951 3.2 10.6 1.0
CE1 B:HIS46 3.2 10.4 1.0
CHA B:HEC951 3.4 9.7 1.0
CHD B:HEC951 3.4 10.6 1.0
CHB B:HEC951 3.4 10.5 1.0
CG B:MET92 3.5 9.2 1.0
CHC B:HEC951 3.5 10.5 1.0
CE B:MET92 3.6 9.3 1.0
CB B:MET92 4.1 10.5 1.0
CG B:HIS46 4.2 13.3 1.0
ND1 B:HIS46 4.2 11.8 1.0
C3D B:HEC951 4.3 10.3 1.0
C2A B:HEC951 4.3 10.0 1.0
C2B B:HEC951 4.3 11.2 1.0
C2D B:HEC951 4.3 10.2 1.0
C3A B:HEC951 4.3 10.9 1.0
C3B B:HEC951 4.3 11.2 1.0
C3C B:HEC951 4.4 11.2 1.0
C2C B:HEC951 4.4 10.7 1.0

Iron binding site 4 out of 12 in 2oz1

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Iron binding site 4 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe952

b:15.3
occ:1.00
FE C:HEC952 0.0 15.3 1.0
ND C:HEC952 2.1 15.4 1.0
NC C:HEC952 2.1 15.3 1.0
NB C:HEC952 2.1 15.3 1.0
NA C:HEC952 2.1 14.7 1.0
NE2 C:HIS80 2.2 9.9 1.0
SG C:CYS114 2.3 13.7 1.0
C1D C:HEC952 3.1 15.7 1.0
C4D C:HEC952 3.1 15.8 1.0
C4C C:HEC952 3.1 14.7 1.0
C4B C:HEC952 3.1 14.3 1.0
C1C C:HEC952 3.1 14.0 1.0
C1A C:HEC952 3.1 15.4 1.0
C1B C:HEC952 3.1 14.3 1.0
CE1 C:HIS80 3.1 10.5 1.0
CD2 C:HIS80 3.2 11.4 1.0
C4A C:HEC952 3.2 13.7 1.0
CHD C:HEC952 3.4 14.8 1.0
CHA C:HEC952 3.4 15.4 1.0
CHC C:HEC952 3.4 13.6 1.0
CB C:CYS114 3.5 14.2 1.0
CHB C:HEC952 3.5 14.1 1.0
ND1 C:HIS80 4.3 11.1 1.0
C3D C:HEC952 4.3 16.1 1.0
C2D C:HEC952 4.3 16.1 1.0
C3C C:HEC952 4.3 15.1 1.0
C2C C:HEC952 4.3 14.4 1.0
C3B C:HEC952 4.3 14.6 1.0
CG C:HIS80 4.3 12.6 1.0
C2B C:HEC952 4.3 13.7 1.0
C2A C:HEC952 4.4 13.9 1.0
C3A C:HEC952 4.4 13.6 1.0
CA C:CYS114 4.8 14.5 1.0
NH1 C:ARG118 4.9 28.7 1.0

Iron binding site 5 out of 12 in 2oz1

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Iron binding site 5 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe953

b:8.3
occ:1.00
FE C:HEC953 0.0 8.3 1.0
NA C:HEC953 2.0 6.2 1.0
NE2 C:HIS181 2.0 7.5 1.0
ND C:HEC953 2.1 7.4 1.0
NC C:HEC953 2.1 7.5 1.0
NB C:HEC953 2.1 6.7 1.0
SD C:CSS222 2.3 15.3 1.0
CE1 C:HIS181 3.0 7.6 1.0
C1A C:HEC953 3.0 6.1 1.0
C4A C:HEC953 3.0 5.0 1.0
C4D C:HEC953 3.1 7.1 1.0
CD2 C:HIS181 3.1 7.5 1.0
C4C C:HEC953 3.1 8.7 1.0
C1B C:HEC953 3.1 5.5 1.0
C1D C:HEC953 3.1 7.2 1.0
C4B C:HEC953 3.1 6.5 1.0
C1C C:HEC953 3.1 6.4 1.0
CHA C:HEC953 3.4 6.8 1.0
CHB C:HEC953 3.4 5.4 1.0
CHD C:HEC953 3.4 6.9 1.0
CHC C:HEC953 3.5 6.4 1.0
SG C:CSS222 3.7 12.1 1.0
ND1 C:HIS181 4.1 7.8 1.0
CG C:HIS181 4.2 8.1 1.0
C3A C:HEC953 4.2 4.0 1.0
C2A C:HEC953 4.3 4.1 1.0
C3D C:HEC953 4.3 7.2 1.0
C2B C:HEC953 4.3 7.2 1.0
C3C C:HEC953 4.3 8.4 1.0
C3B C:HEC953 4.3 6.9 1.0
C2D C:HEC953 4.3 7.8 1.0
C2C C:HEC953 4.3 7.7 1.0
O C:HOH1024 4.5 25.6 1.0
CB C:CSS222 4.5 10.2 1.0

Iron binding site 6 out of 12 in 2oz1

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Iron binding site 6 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe951

b:10.2
occ:1.00
FE D:HEC951 0.0 10.2 1.0
NA D:HEC951 2.1 11.5 1.0
NB D:HEC951 2.1 12.1 1.0
NE2 D:HIS46 2.1 8.5 1.0
NC D:HEC951 2.1 10.9 1.0
ND D:HEC951 2.2 11.0 1.0
SD D:MET92 2.3 14.1 1.0
C1B D:HEC951 3.1 12.5 1.0
CD2 D:HIS46 3.1 9.4 1.0
C4A D:HEC951 3.1 12.0 1.0
C1A D:HEC951 3.1 11.2 1.0
CE1 D:HIS46 3.1 7.5 1.0
C4B D:HEC951 3.1 11.3 1.0
C4D D:HEC951 3.1 10.2 1.0
C1C D:HEC951 3.1 11.4 1.0
C4C D:HEC951 3.2 10.7 1.0
C1D D:HEC951 3.2 10.2 1.0
CG D:MET92 3.3 12.1 1.0
CE D:MET92 3.4 14.2 1.0
CHB D:HEC951 3.4 11.7 1.0
CHA D:HEC951 3.4 10.7 1.0
CHC D:HEC951 3.5 11.6 1.0
CHD D:HEC951 3.5 10.7 1.0
CB D:MET92 3.9 12.4 1.0
ND1 D:HIS46 4.2 8.5 1.0
CG D:HIS46 4.2 11.1 1.0
C2B D:HEC951 4.3 11.7 1.0
C3B D:HEC951 4.3 11.7 1.0
C2A D:HEC951 4.3 11.3 1.0
C3A D:HEC951 4.3 11.9 1.0
C2C D:HEC951 4.4 10.5 1.0
C3D D:HEC951 4.4 10.9 1.0
C3C D:HEC951 4.4 10.8 1.0
C2D D:HEC951 4.4 9.7 1.0

Iron binding site 7 out of 12 in 2oz1

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Iron binding site 7 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe952

b:14.5
occ:1.00
FE E:HEC952 0.0 14.5 1.0
NC E:HEC952 2.0 14.5 1.0
ND E:HEC952 2.1 15.2 1.0
NB E:HEC952 2.1 14.1 1.0
NA E:HEC952 2.1 13.2 1.0
NE2 E:HIS80 2.2 9.2 1.0
SG E:CYS114 2.3 10.7 1.0
C4D E:HEC952 3.1 14.5 1.0
C1C E:HEC952 3.1 14.5 1.0
C4C E:HEC952 3.1 14.8 1.0
C1A E:HEC952 3.1 12.9 1.0
C4B E:HEC952 3.1 14.6 1.0
CE1 E:HIS80 3.1 10.0 1.0
C1D E:HEC952 3.1 14.9 1.0
C1B E:HEC952 3.1 13.7 1.0
C4A E:HEC952 3.2 12.2 1.0
CD2 E:HIS80 3.2 12.1 1.0
CHA E:HEC952 3.4 13.9 1.0
CHC E:HEC952 3.4 14.3 1.0
CHD E:HEC952 3.4 14.7 1.0
CB E:CYS114 3.5 13.4 1.0
CHB E:HEC952 3.5 13.9 1.0
ND1 E:HIS80 4.3 12.0 1.0
C3C E:HEC952 4.3 15.6 1.0
C2C E:HEC952 4.3 15.1 1.0
C3D E:HEC952 4.3 15.9 1.0
C3B E:HEC952 4.3 15.9 1.0
CG E:HIS80 4.3 14.0 1.0
C2A E:HEC952 4.3 12.0 1.0
C2D E:HEC952 4.3 15.5 1.0
C2B E:HEC952 4.3 14.9 1.0
C3A E:HEC952 4.4 11.9 1.0
CA E:CYS114 4.8 13.7 1.0

Iron binding site 8 out of 12 in 2oz1

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Iron binding site 8 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe953

b:6.9
occ:1.00
FE E:HEC953 0.0 6.9 1.0
NC E:HEC953 2.0 5.6 1.0
NA E:HEC953 2.1 4.2 1.0
NB E:HEC953 2.1 5.3 1.0
ND E:HEC953 2.1 6.3 1.0
NE2 E:HIS181 2.2 6.4 1.0
SD E:CSS222 2.3 8.1 1.0
C4C E:HEC953 3.0 5.9 1.0
C1C E:HEC953 3.0 4.3 1.0
C4B E:HEC953 3.1 4.3 1.0
C1D E:HEC953 3.1 6.2 1.0
C4A E:HEC953 3.1 4.5 1.0
CD2 E:HIS181 3.1 6.0 1.0
C1B E:HEC953 3.1 4.6 1.0
C1A E:HEC953 3.1 5.3 1.0
C4D E:HEC953 3.1 6.4 1.0
CE1 E:HIS181 3.3 5.1 1.0
CHD E:HEC953 3.3 5.3 1.0
CHC E:HEC953 3.4 4.5 1.0
CHA E:HEC953 3.5 5.6 1.0
CHB E:HEC953 3.5 4.2 1.0
SG E:CSS222 3.7 8.9 1.0
C3C E:HEC953 4.2 5.0 1.0
C2C E:HEC953 4.2 4.6 1.0
C3B E:HEC953 4.3 5.7 1.0
C2B E:HEC953 4.3 4.9 1.0
CG E:HIS181 4.3 6.8 1.0
C3A E:HEC953 4.3 3.8 1.0
C2A E:HEC953 4.3 3.5 1.0
C2D E:HEC953 4.3 5.5 1.0
ND1 E:HIS181 4.4 5.5 1.0
C3D E:HEC953 4.4 6.0 1.0
CB E:CSS222 4.5 7.0 1.0
O E:HOH1143 4.6 39.9 1.0

Iron binding site 9 out of 12 in 2oz1

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Iron binding site 9 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe951

b:9.3
occ:1.00
FE F:HEC951 0.0 9.3 1.0
NA F:HEC951 2.0 9.5 1.0
NB F:HEC951 2.1 9.7 1.0
NC F:HEC951 2.1 9.6 1.0
NE2 F:HIS46 2.1 8.8 1.0
ND F:HEC951 2.2 10.0 1.0
SD F:MET92 2.3 9.7 1.0
C1A F:HEC951 3.0 9.8 1.0
C4B F:HEC951 3.1 9.1 1.0
C4A F:HEC951 3.1 10.2 1.0
C1C F:HEC951 3.1 9.0 1.0
CE1 F:HIS46 3.1 9.8 1.0
CD2 F:HIS46 3.1 9.0 1.0
C4D F:HEC951 3.1 10.0 1.0
C1B F:HEC951 3.1 9.5 1.0
C4C F:HEC951 3.2 9.6 1.0
C1D F:HEC951 3.2 8.5 1.0
CG F:MET92 3.3 8.3 1.0
CHA F:HEC951 3.4 9.4 1.0
CHC F:HEC951 3.4 9.5 1.0
CHB F:HEC951 3.5 9.9 1.0
CE F:MET92 3.5 9.3 1.0
CHD F:HEC951 3.5 8.8 1.0
CB F:MET92 3.9 8.5 1.0
ND1 F:HIS46 4.2 11.1 1.0
CG F:HIS46 4.2 11.1 1.0
C2A F:HEC951 4.3 10.8 1.0
C3A F:HEC951 4.3 10.1 1.0
C3B F:HEC951 4.3 8.4 1.0
C2B F:HEC951 4.3 9.6 1.0
C2C F:HEC951 4.3 8.2 1.0
C3C F:HEC951 4.4 9.4 1.0
C3D F:HEC951 4.4 8.7 1.0
C2D F:HEC951 4.4 8.7 1.0
O F:HOH1003 4.9 29.2 1.0

Iron binding site 10 out of 12 in 2oz1

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Iron binding site 10 out of 12 in the The Soxax Complex of Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of The Soxax Complex of Rhodovulum Sulfidophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe952

b:11.8
occ:1.00
FE G:HEC952 0.0 11.8 1.0
NE2 G:HIS80 2.1 11.6 1.0
NB G:HEC952 2.1 11.2 1.0
NC G:HEC952 2.1 11.7 1.0
ND G:HEC952 2.1 11.5 1.0
NA G:HEC952 2.1 11.9 1.0
SG G:CYS114 2.3 12.7 1.0
CE1 G:HIS80 2.9 12.3 1.0
C4B G:HEC952 3.1 10.9 1.0
C4D G:HEC952 3.1 12.3 1.0
C1A G:HEC952 3.1 11.6 1.0
C1C G:HEC952 3.1 11.3 1.0
C4C G:HEC952 3.1 11.1 1.0
C1B G:HEC952 3.1 11.2 1.0
C1D G:HEC952 3.1 11.1 1.0
CD2 G:HIS80 3.1 12.2 1.0
C4A G:HEC952 3.2 11.3 1.0
CHA G:HEC952 3.4 11.3 1.0
CHC G:HEC952 3.4 10.9 1.0
CHD G:HEC952 3.4 11.3 1.0
CHB G:HEC952 3.5 11.0 1.0
CB G:CYS114 3.6 12.8 1.0
ND1 G:HIS80 4.1 12.4 1.0
CG G:HIS80 4.2 13.3 1.0
C3B G:HEC952 4.3 9.8 1.0
C2B G:HEC952 4.3 10.6 1.0
C3D G:HEC952 4.3 11.6 1.0
C2C G:HEC952 4.3 10.1 1.0
C3C G:HEC952 4.3 11.1 1.0
C2A G:HEC952 4.3 11.1 1.0
C2D G:HEC952 4.3 11.4 1.0
C3A G:HEC952 4.4 11.0 1.0
O G:HOH1075 4.7 18.7 1.0
CA G:CYS114 4.8 12.6 1.0
CD G:ARG118 4.9 17.2 1.0

Reference:

M.A.Kihlken, B.C.Berks, A.M.Hemmings. The Crystal Structure of Recombinant Rhodovulum Sulfidophilum Soxax Confirms Cysteine Persulfide Coordination to the Catalytic Heme To Be Published.
Page generated: Sun Dec 13 14:50:48 2020

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