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Iron in PDB 2cb2: Sulfur Oxygenase Reductase From Acidianus Ambivalens

Protein crystallography data

The structure of Sulfur Oxygenase Reductase From Acidianus Ambivalens, PDB code: 2cb2 was solved by T.Urich, C.M.Gomes, A.Kletzin, C.Frazao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 111.80 / 1.70
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 162.150, 162.150, 154.930, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 21

Iron Binding Sites:

The binding sites of Iron atom in the Sulfur Oxygenase Reductase From Acidianus Ambivalens (pdb code 2cb2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Sulfur Oxygenase Reductase From Acidianus Ambivalens, PDB code: 2cb2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 2cb2

Go back to Iron Binding Sites List in 2cb2
Iron binding site 1 out of 6 in the Sulfur Oxygenase Reductase From Acidianus Ambivalens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sulfur Oxygenase Reductase From Acidianus Ambivalens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1310

b:45.8
occ:1.00
 NE2 A:HIS86 2.2 33.0 1.0
OE2 A:GLU114 2.2 32.7 1.0
O A:HOH2020 2.3 38.0 1.0
OE1 A:GLU114 2.3 32.5 1.0
NE2 A:HIS90 2.4 42.8 1.0
O A:HOH2014 2.5 50.3 1.0
CD A:GLU114 2.6 31.2 1.0
CE1 A:HIS86 3.0 34.0 1.0
CD2 A:HIS86 3.2 32.9 1.0
CD2 A:HIS90 3.2 44.3 1.0
CE1 A:HIS90 3.4 44.4 1.0
O A:HOH2021 4.0 31.1 1.0
CG A:GLU114 4.1 28.3 1.0
ND1 A:HIS86 4.1 30.9 1.0
CG A:HIS86 4.3 30.1 1.0
CG A:HIS90 4.4 36.1 1.0
ND1 A:HIS90 4.4 42.1 1.0
CA A:GLY208 4.6 30.5 1.0
ND2 A:ASN9 4.7 45.9 1.0
OG1 A:THR78 4.7 28.3 1.0
CB A:ALA7 4.8 26.6 1.0
CE A:MET89 4.8 42.9 1.0
CB A:GLU114 5.0 28.1 1.0

Iron binding site 2 out of 6 in 2cb2

Go back to Iron Binding Sites List in 2cb2
Iron binding site 2 out of 6 in the Sulfur Oxygenase Reductase From Acidianus Ambivalens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sulfur Oxygenase Reductase From Acidianus Ambivalens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1310

b:46.5
occ:1.00
 NE2 B:HIS86 2.2 31.6 1.0
OE2 B:GLU114 2.2 32.9 1.0
O B:HOH2021 2.3 43.7 1.0
OE1 B:GLU114 2.3 34.8 1.0
NE2 B:HIS90 2.3 43.4 1.0
O B:HOH2018 2.5 41.7 1.0
CD B:GLU114 2.6 32.3 1.0
CE1 B:HIS86 3.0 33.5 1.0
CD2 B:HIS86 3.2 34.6 1.0
CE1 B:HIS90 3.3 43.9 1.0
CD2 B:HIS90 3.3 43.5 1.0
O B:HOH2025 4.0 29.3 1.0
CG B:GLU114 4.1 29.3 1.0
ND1 B:HIS86 4.1 32.2 1.0
CG B:HIS86 4.3 29.4 1.0
ND1 B:HIS90 4.4 40.2 1.0
CG B:HIS90 4.4 37.6 1.0
CA B:GLY208 4.6 29.0 1.0
CB B:ALA7 4.7 25.9 1.0
OG1 B:THR78 4.7 27.5 1.0
CE B:MET89 4.9 41.0 1.0
CB B:GLU114 5.0 28.2 1.0

Iron binding site 3 out of 6 in 2cb2

Go back to Iron Binding Sites List in 2cb2
Iron binding site 3 out of 6 in the Sulfur Oxygenase Reductase From Acidianus Ambivalens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sulfur Oxygenase Reductase From Acidianus Ambivalens within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1310

b:46.2
occ:1.00
 NE2 C:HIS86 2.1 27.2 1.0
NE2 C:HIS90 2.2 40.0 1.0
O C:HOH2026 2.3 43.9 1.0
OE2 C:GLU114 2.3 36.0 1.0
O C:HOH2018 2.3 42.0 1.0
OE1 C:GLU114 2.4 33.0 1.0
CD C:GLU114 2.6 33.0 1.0
CE1 C:HIS86 3.0 33.1 1.0
CD2 C:HIS86 3.2 30.9 1.0
CD2 C:HIS90 3.2 41.0 1.0
CE1 C:HIS90 3.3 41.6 1.0
O C:HOH2019 4.0 31.9 1.0
CG C:GLU114 4.1 28.1 1.0
ND1 C:HIS86 4.1 30.4 1.0
CG C:HIS86 4.2 29.0 1.0
CG C:HIS90 4.3 35.7 1.0
ND1 C:HIS90 4.3 40.5 1.0
CA C:GLY208 4.7 28.6 1.0
OG1 C:THR78 4.7 28.0 1.0
CB C:ALA7 4.8 25.8 1.0
CE C:MET89 4.8 42.7 1.0
ND2 C:ASN9 5.0 45.0 1.0
CB C:GLU114 5.0 27.7 1.0

Iron binding site 4 out of 6 in 2cb2

Go back to Iron Binding Sites List in 2cb2
Iron binding site 4 out of 6 in the Sulfur Oxygenase Reductase From Acidianus Ambivalens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sulfur Oxygenase Reductase From Acidianus Ambivalens within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1310

b:45.1
occ:1.00
 NE2 D:HIS86 2.2 33.1 1.0
O D:HOH2020 2.2 39.1 1.0
OE2 D:GLU114 2.2 30.9 1.0
NE2 D:HIS90 2.3 45.1 1.0
O D:HOH2001 2.4 41.9 1.0
OE1 D:GLU114 2.4 33.6 1.0
CD D:GLU114 2.6 32.2 1.0
CE1 D:HIS86 3.1 34.8 1.0
CD2 D:HIS86 3.2 32.9 1.0
CE1 D:HIS90 3.3 45.2 1.0
CD2 D:HIS90 3.4 43.6 1.0
O D:HOH2027 3.9 30.1 1.0
CG D:GLU114 4.1 29.4 1.0
ND1 D:HIS86 4.2 32.2 1.0
CG D:HIS86 4.3 30.6 1.0
ND1 D:HIS90 4.4 43.9 1.0
CG D:HIS90 4.5 36.8 1.0
OG1 D:THR78 4.7 28.5 1.0
ND2 D:ASN9 4.7 46.0 1.0
CA D:GLY208 4.7 29.8 1.0
CB D:ALA7 4.7 26.6 1.0
CE D:MET89 4.8 40.6 1.0

Iron binding site 5 out of 6 in 2cb2

Go back to Iron Binding Sites List in 2cb2
Iron binding site 5 out of 6 in the Sulfur Oxygenase Reductase From Acidianus Ambivalens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Sulfur Oxygenase Reductase From Acidianus Ambivalens within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1310

b:47.6
occ:1.00
 NE2 E:HIS86 2.2 30.4 1.0
O E:HOH2019 2.3 39.4 1.0
OE2 E:GLU114 2.3 33.9 1.0
NE2 E:HIS90 2.3 41.3 1.0
OE1 E:GLU114 2.4 33.3 1.0
O E:HOH2013 2.5 47.2 1.0
CD E:GLU114 2.6 31.5 1.0
CE1 E:HIS86 3.0 31.6 1.0
CE1 E:HIS90 3.2 40.2 1.0
CD2 E:HIS86 3.2 33.8 1.0
CD2 E:HIS90 3.3 39.8 1.0
CG E:GLU114 4.1 25.7 1.0
O E:HOH2020 4.1 30.7 1.0
ND1 E:HIS86 4.1 30.6 1.0
CG E:HIS86 4.3 29.4 1.0
ND1 E:HIS90 4.3 39.9 1.0
CG E:HIS90 4.4 34.0 1.0
CA E:GLY208 4.5 29.8 1.0
OG1 E:THR78 4.8 27.9 1.0
CB E:ALA7 4.9 25.7 1.0
CE E:MET89 4.9 38.7 1.0
ND2 E:ASN9 5.0 45.2 1.0
CB E:GLU114 5.0 27.1 1.0

Iron binding site 6 out of 6 in 2cb2

Go back to Iron Binding Sites List in 2cb2
Iron binding site 6 out of 6 in the Sulfur Oxygenase Reductase From Acidianus Ambivalens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Sulfur Oxygenase Reductase From Acidianus Ambivalens within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1310

b:44.3
occ:1.00
 NE2 F:HIS86 2.1 31.1 1.0
OE2 F:GLU114 2.2 32.5 1.0
NE2 F:HIS90 2.3 41.4 1.0
OE1 F:GLU114 2.3 34.3 1.0
O F:HOH2003 2.4 42.0 1.0
O F:HOH2019 2.6 49.5 1.0
CD F:GLU114 2.6 31.3 1.0
CE1 F:HIS86 3.0 33.5 1.0
CD2 F:HIS86 3.2 32.8 1.0
CE1 F:HIS90 3.2 42.7 1.0
CD2 F:HIS90 3.3 42.2 1.0
O F:HOH2028 4.0 29.7 1.0
CG F:GLU114 4.1 25.6 1.0
ND1 F:HIS86 4.2 30.8 1.0
CG F:HIS86 4.3 30.3 1.0
ND1 F:HIS90 4.4 40.1 1.0
CG F:HIS90 4.4 37.5 1.0
ND2 F:ASN9 4.5 45.8 1.0
CA F:GLY208 4.6 29.4 1.0
CB F:ALA7 4.8 27.2 1.0
OG1 F:THR78 4.8 27.3 1.0
CE F:MET89 4.9 40.0 1.0
CB F:GLU114 5.0 27.5 1.0

Reference:

T.Urich, C.M.Gomes, A.Kletzin, C.Frazao. X-Ray Structure of A Self-Compartmentalizing Sulfur Cycle Metalloenzyme Science V. 311 996 2006.
ISSN: ISSN 0036-8075
PubMed: 16484493
DOI: 10.1126/SCIENCE.1120306
Page generated: Sat Aug 3 20:09:23 2024

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