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

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

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

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 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 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 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 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

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