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Iron in PDB 3isf: Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution

Protein crystallography data

The structure of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution, PDB code: 3isf was solved by S.Lovell, S.K.Weeratunga, K.P.Battaile, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.02 / 2.07
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 122.761, 126.274, 168.553, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 24.5

Other elements in 3isf:

The structure of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution also contains other interesting chemical elements:

Potassium (K) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution (pdb code 3isf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution, PDB code: 3isf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3isf

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Iron binding site 1 out of 4 in the Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe159

b:39.2
occ:1.00
FE B:HEM159 0.0 39.2 1.0
ND B:HEM159 2.0 38.6 1.0
NC B:HEM159 2.1 39.9 1.0
NA B:HEM159 2.1 37.2 1.0
NB B:HEM159 2.1 38.2 1.0
SD A:MET52 2.3 33.5 1.0
SD B:MET52 2.3 35.9 1.0
C4D B:HEM159 3.0 36.5 1.0
C1A B:HEM159 3.0 37.2 1.0
C1C B:HEM159 3.0 39.9 1.0
C4B B:HEM159 3.1 38.0 1.0
C1D B:HEM159 3.2 38.3 1.0
C4C B:HEM159 3.2 38.0 1.0
C4A B:HEM159 3.2 36.0 1.0
C1B B:HEM159 3.2 34.8 1.0
CE B:MET52 3.2 35.1 1.0
CE A:MET52 3.2 31.4 1.0
CHA B:HEM159 3.3 34.9 1.0
CHC B:HEM159 3.4 38.3 1.0
CG A:MET52 3.5 32.3 1.0
CHB B:HEM159 3.5 37.6 1.0
CHD B:HEM159 3.6 35.6 1.0
CG B:MET52 3.6 34.7 1.0
CB A:MET52 4.2 32.6 1.0
CB B:MET52 4.2 32.0 1.0
C3D B:HEM159 4.2 37.9 1.0
C2C B:HEM159 4.2 39.0 1.0
C2A B:HEM159 4.3 36.8 1.0
C3B B:HEM159 4.3 36.7 1.0
C3C B:HEM159 4.3 35.8 1.0
C3A B:HEM159 4.3 35.7 1.0
C2D B:HEM159 4.3 33.9 1.0
C2B B:HEM159 4.3 39.9 1.0
CD1 A:ILE49 5.0 38.3 1.0

Iron binding site 2 out of 4 in 3isf

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Iron binding site 2 out of 4 in the Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe159

b:38.0
occ:1.00
FE C:HEM159 0.0 38.0 1.0
NC C:HEM159 2.0 38.2 1.0
NB C:HEM159 2.1 40.7 1.0
NA C:HEM159 2.1 42.0 1.0
ND C:HEM159 2.1 39.1 1.0
SD C:MET52 2.3 34.5 1.0
SD D:MET52 2.3 33.3 1.0
C1C C:HEM159 3.0 41.8 1.0
C4B C:HEM159 3.0 40.4 1.0
C1A C:HEM159 3.1 40.7 1.0
C4D C:HEM159 3.1 39.2 1.0
C4C C:HEM159 3.1 41.1 1.0
CE C:MET52 3.1 36.7 1.0
C1D C:HEM159 3.1 39.1 1.0
C1B C:HEM159 3.1 38.5 1.0
C4A C:HEM159 3.2 42.7 1.0
CHC C:HEM159 3.3 39.5 1.0
CE D:MET52 3.4 33.0 1.0
CHA C:HEM159 3.4 36.6 1.0
CHD C:HEM159 3.5 39.0 1.0
CHB C:HEM159 3.5 41.9 1.0
CG D:MET52 3.5 33.3 1.0
CG C:MET52 3.6 34.2 1.0
CB C:MET52 4.2 33.9 1.0
CB D:MET52 4.2 32.4 1.0
C2C C:HEM159 4.2 41.4 1.0
C3B C:HEM159 4.3 37.4 1.0
C3C C:HEM159 4.3 42.4 1.0
C2A C:HEM159 4.3 43.2 1.0
C3D C:HEM159 4.3 40.3 1.0
C2B C:HEM159 4.3 39.5 1.0
C3A C:HEM159 4.4 43.1 1.0
C2D C:HEM159 4.4 36.8 1.0

Iron binding site 3 out of 4 in 3isf

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Iron binding site 3 out of 4 in the Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe159

b:37.2
occ:0.50
FE E:HEM159 0.0 37.2 0.5
ND E:HEM159 2.0 34.7 0.5
NC E:HEM159 2.0 33.9 0.5
NA E:HEM159 2.1 35.0 0.5
NB E:HEM159 2.2 36.4 0.5
SD E:MET52 2.4 31.4 1.0
C4C E:HEM159 3.0 37.1 0.5
C4D E:HEM159 3.0 34.6 0.5
C1D E:HEM159 3.0 36.2 0.5
C1A E:HEM159 3.1 35.1 0.5
C1C E:HEM159 3.1 34.1 0.5
C4A E:HEM159 3.2 37.0 0.5
C4B E:HEM159 3.2 37.3 0.5
C1B E:HEM159 3.2 38.9 0.5
CE E:MET52 3.3 31.7 1.0
CHD E:HEM159 3.3 37.1 0.5
CHA E:HEM159 3.4 32.5 0.5
CHC E:HEM159 3.5 34.0 0.5
CHB E:HEM159 3.6 37.5 0.5
CG E:MET52 3.6 31.1 1.0
C3C E:HEM159 4.2 35.6 0.5
CB E:MET52 4.2 30.9 1.0
C3D E:HEM159 4.2 35.6 0.5
C2D E:HEM159 4.3 36.4 0.5
C2C E:HEM159 4.3 32.1 0.5
C2A E:HEM159 4.3 36.9 0.5
C3A E:HEM159 4.4 37.0 0.5
C3B E:HEM159 4.4 36.5 0.5
C2B E:HEM159 4.4 38.0 0.5

Iron binding site 4 out of 4 in 3isf

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Iron binding site 4 out of 4 in the Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe159

b:39.3
occ:0.50
FE F:HEM159 0.0 39.3 0.5
ND F:HEM159 2.1 38.6 0.5
NC F:HEM159 2.1 36.8 0.5
NA F:HEM159 2.1 39.4 0.5
NB F:HEM159 2.1 38.5 0.5
SD F:MET52 2.4 34.4 1.0
C4D F:HEM159 3.0 37.9 0.5
C1C F:HEM159 3.0 38.5 0.5
C1A F:HEM159 3.0 38.4 0.5
C4B F:HEM159 3.0 39.4 0.5
C1D F:HEM159 3.1 37.8 0.5
C4C F:HEM159 3.2 35.4 0.5
C4A F:HEM159 3.2 38.7 0.5
C1B F:HEM159 3.2 38.2 0.5
CHA F:HEM159 3.3 37.9 0.5
CE F:MET52 3.3 32.1 1.0
CHC F:HEM159 3.4 35.9 0.5
CHD F:HEM159 3.5 36.8 0.5
CG F:MET52 3.6 32.5 1.0
CHB F:HEM159 3.6 38.0 0.5
C3D F:HEM159 4.3 38.4 0.5
C2C F:HEM159 4.3 36.9 0.5
C3B F:HEM159 4.3 39.4 0.5
C2A F:HEM159 4.3 39.4 0.5
C2D F:HEM159 4.3 38.1 0.5
C3C F:HEM159 4.3 36.4 0.5
C2B F:HEM159 4.3 39.5 0.5
CB F:MET52 4.4 34.1 1.0
C3A F:HEM159 4.4 39.2 0.5
CD1 F:ILE49 5.0 41.4 1.0

Reference:

S.K.Weeratunga, S.Lovell, H.Yao, K.P.Battaile, C.J.Fischer, C.E.Gee, M.Rivera. Structural Studies of Bacterioferritin B From Pseudomonas Aeruginosa Suggest A Gating Mechanism For Iron Uptake Via the Ferroxidase Center Biochemistry V. 49 1160 2010.
ISSN: ISSN 0006-2960
PubMed: 20067302
DOI: 10.1021/BI9015204
Page generated: Sun Dec 13 15:09:09 2020

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