Iron in PDB 3ise: Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution

The structure of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution, PDB code: 3ise 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)	47.51 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	125.712, 203.206, 207.865, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.7

The structure of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution also contains other interesting chemical elements:

Potassium

(K)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Iron atom in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution (pdb code 3ise). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution, PDB code: 3ise:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A 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 Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe159 b:50.8 occ:0.50 NE2 A:HIS153 2.3 39.6 1.0 NE2 X:HIS155 2.4 49.4 1.0 CE1 A:HIS153 2.9 40.0 1.0 CD2 X:HIS155 3.3 48.3 1.0 CD2 A:HIS153 3.4 39.2 1.0 CE1 X:HIS155 3.4 48.9 1.0 CE X:MET154 3.8 46.4 1.0 ND1 A:HIS153 4.1 40.6 1.0 NE2 A:GLN137 4.1 30.9 1.0 CG A:HIS153 4.3 39.0 1.0 NE A:ARG39 4.4 47.8 1.0 CG X:HIS155 4.5 47.1 1.0 ND1 X:HIS155 4.5 48.0 1.0 CD A:ARG39 4.8 44.5 1.0 CD A:GLN137 5.0 32.2 1.0

Iron binding site 2 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A 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 Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe160 b:42.8 occ:0.50 NE2 L:HIS153 2.6 38.3 1.0 NE2 A:HIS155 2.8 48.2 1.0 CE1 L:HIS153 3.4 38.4 1.0 CD2 A:HIS155 3.4 48.7 1.0 CD2 L:HIS153 3.6 38.8 1.0 CE A:MET154 3.9 47.3 1.0 CE1 A:HIS155 4.0 48.5 1.0 NE2 L:GLN137 4.1 27.0 1.0 NE L:ARG39 4.2 46.8 1.0 ND1 L:HIS153 4.5 39.6 1.0 CG L:HIS153 4.6 38.6 1.0 CG A:HIS155 4.7 48.3 1.0 CD L:ARG39 4.8 43.5 1.0 ND1 A:HIS155 4.9 47.5 1.0

Iron binding site 3 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A 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 Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe159 b:40.8 occ:1.00 FE B:HEM159 0.0 40.8 1.0 NA B:HEM159 2.0 39.5 1.0 ND B:HEM159 2.0 38.8 1.0 NB B:HEM159 2.1 38.9 1.0 NC B:HEM159 2.2 41.4 1.0 SD B:MET52 2.2 32.8 1.0 SD A:MET52 2.3 34.9 1.0 CE B:MET52 3.0 34.5 1.0 C4A B:HEM159 3.0 40.8 1.0 C1A B:HEM159 3.0 39.2 1.0 C4D B:HEM159 3.0 40.2 1.0 C1D B:HEM159 3.1 39.3 1.0 C1B B:HEM159 3.1 38.6 1.0 C4B B:HEM159 3.1 40.7 1.0 C4C B:HEM159 3.1 42.1 1.0 CE A:MET52 3.2 36.0 1.0 C1C B:HEM159 3.3 39.6 1.0 CHA B:HEM159 3.4 40.4 1.0 CHB B:HEM159 3.4 39.4 1.0 CHD B:HEM159 3.4 40.0 1.0 CG B:MET52 3.5 34.2 1.0 CHC B:HEM159 3.6 39.8 1.0 CG A:MET52 3.7 35.6 1.0 CB B:MET52 4.2 34.6 1.0 C3A B:HEM159 4.2 40.4 1.0 C2A B:HEM159 4.2 39.6 1.0 C3D B:HEM159 4.3 39.1 1.0 C2D B:HEM159 4.3 38.4 1.0 C3B B:HEM159 4.3 40.7 1.0 C2B B:HEM159 4.3 38.2 1.0 C3C B:HEM159 4.4 42.1 1.0 CB A:MET52 4.4 35.6 1.0 C2C B:HEM159 4.5 39.2 1.0

Iron binding site 4 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A 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 Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe160 b:36.2 occ:0.50 NE2 B:HIS155 2.5 48.8 1.0 NE2 H:HIS153 2.7 38.5 1.0 CE1 H:HIS153 3.2 37.5 1.0 CD2 B:HIS155 3.3 48.5 1.0 CE1 B:HIS155 3.6 49.3 1.0 NE H:ARG39 3.7 46.8 1.0 CD2 H:HIS153 3.7 37.3 1.0 CD H:ARG39 3.8 44.4 1.0 CE B:MET154 4.0 46.6 1.0 ND1 H:HIS153 4.3 37.5 1.0 NE2 H:GLN137 4.5 30.1 1.0 CG B:HIS155 4.6 47.9 1.0 CG H:HIS153 4.6 37.2 1.0 ND1 B:HIS155 4.7 48.2 1.0 CZ H:ARG39 4.7 47.3 1.0 NZ B:LYS38 4.7 47.9 1.0

Iron binding site 5 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe161 b:54.1 occ:0.50 NE2 D:HIS155 2.5 47.8 1.0 NE2 B:HIS153 2.5 39.4 1.0 CE1 B:HIS153 3.2 38.8 1.0 CD2 D:HIS155 3.4 47.7 1.0 CD2 B:HIS153 3.5 37.3 1.0 CE1 D:HIS155 3.5 48.6 1.0 CE D:MET154 4.1 47.1 1.0 NE2 B:GLN137 4.2 31.4 1.0 NE B:ARG39 4.3 46.2 1.0 ND1 B:HIS153 4.3 39.1 1.0 CG B:HIS153 4.5 37.9 1.0 CG D:HIS155 4.6 47.4 1.0 ND1 D:HIS155 4.6 47.9 1.0 CD B:ARG39 4.8 42.8 1.0 CD B:GLN137 5.0 31.7 1.0 OE1 B:GLN137 5.0 31.1 1.0

Iron binding site 6 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe159 b:56.4 occ:0.50 NE2 C:HIS155 2.4 49.2 1.0 NE2 U:HIS153 2.6 40.7 1.0 CE1 U:HIS153 3.0 40.1 1.0 CD2 C:HIS155 3.3 48.7 1.0 CE1 C:HIS155 3.4 48.9 1.0 CD2 U:HIS153 3.8 40.0 1.0 CE C:MET154 3.9 47.7 1.0 ND1 U:HIS153 4.2 40.7 1.0 NE2 U:GLN137 4.2 31.7 1.0 NE U:ARG39 4.2 47.7 1.0 ND1 C:HIS155 4.5 47.8 1.0 CG C:HIS155 4.5 47.6 1.0 CG U:HIS153 4.6 39.6 1.0 CD U:ARG39 4.7 44.0 1.0

Iron binding site 7 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe159 b:39.5 occ:1.00 FE D:HEM159 0.0 39.5 1.0 NA D:HEM159 2.0 43.5 1.0 NB D:HEM159 2.0 43.3 1.0 ND D:HEM159 2.1 42.4 1.0 NC D:HEM159 2.2 42.4 1.0 SD C:MET52 2.2 37.0 1.0 SD D:MET52 2.3 35.2 1.0 C1A D:HEM159 3.0 43.7 1.0 C4B D:HEM159 3.0 43.7 1.0 C4A D:HEM159 3.1 43.2 1.0 C4D D:HEM159 3.1 42.8 1.0 C1B D:HEM159 3.1 42.9 1.0 CE D:MET52 3.1 34.9 1.0 C1C D:HEM159 3.1 42.1 1.0 C1D D:HEM159 3.2 42.0 1.0 C4C D:HEM159 3.2 41.8 1.0 CE C:MET52 3.2 35.6 1.0 CHA D:HEM159 3.4 43.0 1.0 CHC D:HEM159 3.4 42.9 1.0 CHB D:HEM159 3.5 44.0 1.0 CHD D:HEM159 3.6 41.2 1.0 CG C:MET52 3.7 35.6 1.0 CG D:MET52 3.8 35.1 1.0 C3B D:HEM159 4.2 44.1 1.0 CB D:MET52 4.2 35.2 1.0 C2A D:HEM159 4.3 43.6 1.0 CB C:MET52 4.3 35.3 1.0 C3A D:HEM159 4.3 41.6 1.0 C2B D:HEM159 4.3 42.9 1.0 C3D D:HEM159 4.3 43.2 1.0 C2C D:HEM159 4.4 40.9 1.0 C2D D:HEM159 4.4 42.0 1.0 C3C D:HEM159 4.4 41.7 1.0

Iron binding site 8 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe160 b:59.3 occ:0.50 NE2 F:HIS155 2.5 48.3 1.0 NE2 D:HIS153 2.6 38.7 1.0 CE1 D:HIS153 3.2 38.4 1.0 CD2 F:HIS155 3.4 48.1 1.0 CE1 F:HIS155 3.5 48.1 1.0 CD2 D:HIS153 3.5 37.5 1.0 NE D:ARG39 4.0 46.9 1.0 CE F:MET154 4.1 46.0 1.0 NE2 D:GLN137 4.3 30.6 1.0 ND1 D:HIS153 4.3 39.1 1.0 CD D:ARG39 4.5 43.0 1.0 CG D:HIS153 4.5 38.5 1.0 CG F:HIS155 4.6 47.3 1.0 ND1 F:HIS155 4.6 47.8 1.0 CZ D:ARG39 4.8 48.0 1.0 NH2 D:ARG39 4.9 48.9 1.0

Iron binding site 9 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe159 b:42.7 occ:1.00 FE E:HEM159 0.0 42.7 1.0 NA E:HEM159 2.1 42.5 1.0 NC E:HEM159 2.1 44.5 1.0 NB E:HEM159 2.1 44.5 1.0 ND E:HEM159 2.1 44.9 1.0 SD F:MET52 2.3 35.8 1.0 SD E:MET52 2.3 37.2 1.0 C1A E:HEM159 3.1 43.6 1.0 C4B E:HEM159 3.1 42.9 1.0 C4C E:HEM159 3.1 45.6 1.0 C4D E:HEM159 3.1 45.2 1.0 C4A E:HEM159 3.1 44.4 1.0 C1B E:HEM159 3.1 43.8 1.0 C1C E:HEM159 3.1 45.0 1.0 C1D E:HEM159 3.2 44.1 1.0 CE F:MET52 3.2 35.8 1.0 CHA E:HEM159 3.4 44.9 1.0 CE E:MET52 3.5 36.9 1.0 CHD E:HEM159 3.5 44.4 1.0 CHB E:HEM159 3.5 44.0 1.0 CHC E:HEM159 3.5 42.4 1.0 CG F:MET52 3.6 36.3 1.0 CG E:MET52 3.9 35.5 1.0 CB F:MET52 4.2 35.7 1.0 C3B E:HEM159 4.3 43.5 1.0 C3C E:HEM159 4.3 47.0 1.0 C2A E:HEM159 4.3 45.5 1.0 C3A E:HEM159 4.3 43.6 1.0 C2B E:HEM159 4.3 43.8 1.0 C3D E:HEM159 4.3 43.7 1.0 C2C E:HEM159 4.3 46.2 1.0 CB E:MET52 4.4 35.2 1.0 C2D E:HEM159 4.4 43.6 1.0

Iron binding site 10 out of 36 in the Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of Mineralized Bfrb (Double Soak) From Pseudomonas Aeruginosa to 2.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe160 b:45.8 occ:0.50 NE2 E:HIS155 2.5 49.6 1.0 NE2 J:HIS153 3.0 39.2 1.0 CD2 E:HIS155 3.2 48.8 1.0 CE1 E:HIS155 3.7 49.5 1.0 CE1 J:HIS153 3.8 38.9 1.0 CE E:MET154 3.9 46.9 1.0 CD2 J:HIS153 3.9 39.3 1.0 NE2 J:GLN137 4.2 30.8 1.0 CG E:HIS155 4.5 48.3 1.0 NE J:ARG39 4.5 47.9 1.0 ND1 E:HIS155 4.7 49.0 1.0 ND1 J:HIS153 4.9 39.5 1.0 CG J:HIS153 5.0 39.0 1.0 NH2 J:ARG39 5.0 49.6 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