Iron in PDB 5mab: Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase

The structure of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase, PDB code: 5mab was solved by L.Pereira, I.H.Saraiva, A.S.Oliveira, C.Soares, R.O.Gomes, C.Frazao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	97.66 / 2.44
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.770, 112.770, 143.540, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 16.9

The structure of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Iron atom in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase (pdb code 5mab). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase, PDB code: 5mab:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:54.4 occ:1.00 FE A:HEC301 0.0 54.4 1.0 NA A:HEC301 2.0 33.1 1.0 NC A:HEC301 2.1 42.4 1.0 ND A:HEC301 2.1 39.4 1.0 NE2 A:HIS63 2.2 36.9 1.0 NB A:HEC301 2.2 37.8 1.0 SD A:MET230 2.4 38.7 1.0 C1A A:HEC301 3.1 32.1 1.0 C1D A:HEC301 3.1 38.9 1.0 C1C A:HEC301 3.1 38.5 1.0 C4D A:HEC301 3.1 35.0 1.0 C4C A:HEC301 3.1 41.2 1.0 C4A A:HEC301 3.1 37.3 1.0 CD2 A:HIS63 3.1 37.5 1.0 C4B A:HEC301 3.1 39.2 1.0 C1B A:HEC301 3.2 30.6 1.0 CE1 A:HIS63 3.2 39.2 1.0 CG A:MET230 3.4 30.0 1.0 CHA A:HEC301 3.4 34.7 1.0 CHD A:HEC301 3.4 38.4 1.0 CE A:MET230 3.4 21.2 1.0 CHC A:HEC301 3.4 40.5 1.0 CHB A:HEC301 3.5 27.2 1.0 CG A:HIS63 4.3 37.3 1.0 ND1 A:HIS63 4.3 37.6 1.0 C2A A:HEC301 4.3 32.0 1.0 C3A A:HEC301 4.3 36.4 1.0 C2C A:HEC301 4.3 40.1 1.0 C3C A:HEC301 4.3 43.3 1.0 C2D A:HEC301 4.3 32.5 1.0 CB A:MET230 4.3 33.8 1.0 C3D A:HEC301 4.3 33.5 1.0 C3B A:HEC301 4.4 40.7 1.0 C2B A:HEC301 4.4 37.9 1.0 CD A:PRO232 4.9 40.7 1.0

Iron binding site 2 out of 6 in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:65.7 occ:1.00 FE A:HEC302 0.0 65.7 1.0 NC A:HEC302 2.0 37.8 1.0 ND A:HEC302 2.1 41.2 1.0 NA A:HEC302 2.1 35.4 1.0 NB A:HEC302 2.1 39.8 1.0 NE2 A:HIS173 2.2 46.1 1.0 SD A:MET116 2.5 47.1 1.0 C4C A:HEC302 3.0 44.9 1.0 C1C A:HEC302 3.0 39.6 1.0 C1D A:HEC302 3.0 43.0 1.0 C4D A:HEC302 3.1 39.9 1.0 C4B A:HEC302 3.1 30.7 1.0 C1A A:HEC302 3.1 42.6 1.0 C4A A:HEC302 3.1 33.4 1.0 C1B A:HEC302 3.1 34.8 1.0 CE1 A:HIS173 3.2 45.2 1.0 CD2 A:HIS173 3.2 51.1 1.0 CE A:MET116 3.3 32.3 1.0 CHD A:HEC302 3.4 45.8 1.0 CHC A:HEC302 3.4 31.9 1.0 CHA A:HEC302 3.5 40.8 1.0 CHB A:HEC302 3.5 33.1 1.0 CG A:MET116 3.6 40.9 1.0 C2C A:HEC302 4.2 42.3 1.0 C3C A:HEC302 4.2 47.1 1.0 C2D A:HEC302 4.3 41.1 1.0 ND1 A:HIS173 4.3 48.0 1.0 C3D A:HEC302 4.3 39.1 1.0 C3B A:HEC302 4.3 35.8 1.0 CG A:HIS173 4.3 50.1 1.0 C2B A:HEC302 4.3 33.6 1.0 C2A A:HEC302 4.3 41.3 1.0 C3A A:HEC302 4.3 34.1 1.0 CB A:MET116 4.5 38.4 1.0

Iron binding site 3 out of 6 in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:63.3 occ:1.00 FE B:HEC301 0.0 63.3 1.0 NA B:HEC301 2.0 43.8 1.0 NB B:HEC301 2.0 49.8 1.0 NC B:HEC301 2.1 46.2 1.0 ND B:HEC301 2.1 49.2 1.0 NE2 B:HIS63 2.2 39.0 1.0 SD B:MET230 2.5 47.9 1.0 C1B B:HEC301 3.0 42.9 1.0 C4A B:HEC301 3.0 40.8 1.0 C1A B:HEC301 3.1 43.2 1.0 C4B B:HEC301 3.1 49.6 1.0 CD2 B:HIS63 3.1 41.1 1.0 C4D B:HEC301 3.1 45.4 1.0 C1D B:HEC301 3.2 38.6 1.0 C1C B:HEC301 3.2 44.9 1.0 C4C B:HEC301 3.2 46.8 1.0 CE1 B:HIS63 3.3 44.0 1.0 CHB B:HEC301 3.3 37.5 1.0 CG B:MET230 3.3 40.0 1.0 CHA B:HEC301 3.4 44.2 1.0 CHD B:HEC301 3.5 43.3 1.0 CHC B:HEC301 3.5 47.4 1.0 CE B:MET230 3.6 40.1 1.0 C2B B:HEC301 4.2 43.6 1.0 C3A B:HEC301 4.2 40.3 1.0 CB B:MET230 4.2 35.8 1.0 C3B B:HEC301 4.3 44.8 1.0 C2A B:HEC301 4.3 41.3 1.0 CG B:HIS63 4.3 42.6 1.0 ND1 B:HIS63 4.3 44.9 1.0 C3D B:HEC301 4.4 43.0 1.0 C2D B:HEC301 4.4 39.7 1.0 C3C B:HEC301 4.4 49.1 1.0 C2C B:HEC301 4.4 49.3 1.0 CD B:PRO232 4.8 40.9 1.0

Iron binding site 4 out of 6 in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:64.2 occ:1.00 FE B:HEC302 0.0 64.2 1.0 NC B:HEC302 2.0 43.1 1.0 NB B:HEC302 2.0 46.6 1.0 NA B:HEC302 2.1 43.6 1.0 ND B:HEC302 2.1 48.5 1.0 NE2 B:HIS173 2.2 46.2 1.0 SD B:MET116 2.5 51.7 1.0 C4C B:HEC302 3.0 44.0 1.0 C1C B:HEC302 3.0 43.5 1.0 C4B B:HEC302 3.0 43.4 1.0 C1B B:HEC302 3.1 46.0 1.0 C1D B:HEC302 3.1 44.9 1.0 C4A B:HEC302 3.1 46.1 1.0 CD2 B:HIS173 3.1 43.7 1.0 C4D B:HEC302 3.1 43.4 1.0 C1A B:HEC302 3.1 43.8 1.0 CE1 B:HIS173 3.2 50.1 1.0 CHD B:HEC302 3.4 43.0 1.0 CHC B:HEC302 3.4 42.3 1.0 CG B:MET116 3.4 37.1 1.0 CHB B:HEC302 3.4 50.5 1.0 CE B:MET116 3.5 25.9 1.0 CHA B:HEC302 3.5 43.3 1.0 C3C B:HEC302 4.2 44.9 1.0 C2C B:HEC302 4.3 41.1 1.0 C3B B:HEC302 4.3 40.9 1.0 CG B:HIS173 4.3 47.5 1.0 ND1 B:HIS173 4.3 51.2 1.0 C2B B:HEC302 4.3 41.6 1.0 CB B:MET116 4.3 37.4 1.0 C3A B:HEC302 4.3 42.9 1.0 C2D B:HEC302 4.3 43.5 1.0 C2A B:HEC302 4.3 46.2 1.0 C3D B:HEC302 4.3 40.5 1.0

Iron binding site 5 out of 6 in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:56.4 occ:1.00 FE C:HEC301 0.0 56.4 1.0 ND C:HEC301 2.0 38.0 1.0 NA C:HEC301 2.1 41.4 1.0 NC C:HEC301 2.1 45.1 1.0 NB C:HEC301 2.1 44.9 1.0 NE2 C:HIS63 2.2 38.4 1.0 SD C:MET230 2.4 43.5 1.0 C4D C:HEC301 3.0 42.0 1.0 C1D C:HEC301 3.1 39.7 1.0 C1A C:HEC301 3.1 44.0 1.0 C4B C:HEC301 3.1 43.0 1.0 C1C C:HEC301 3.1 43.9 1.0 CD2 C:HIS63 3.1 36.8 1.0 C4A C:HEC301 3.1 38.3 1.0 C4C C:HEC301 3.1 44.1 1.0 C1B C:HEC301 3.1 36.6 1.0 CE1 C:HIS63 3.2 44.0 1.0 CG C:MET230 3.3 39.8 1.0 CHA C:HEC301 3.4 34.2 1.0 CE C:MET230 3.4 25.4 1.0 CHC C:HEC301 3.4 45.6 1.0 CHD C:HEC301 3.5 44.3 1.0 CHB C:HEC301 3.5 34.4 1.0 CB C:MET230 4.2 42.9 1.0 C3D C:HEC301 4.2 42.8 1.0 C2D C:HEC301 4.3 39.3 1.0 CG C:HIS63 4.3 39.1 1.0 ND1 C:HIS63 4.3 42.8 1.0 C2A C:HEC301 4.3 43.4 1.0 C3B C:HEC301 4.3 37.8 1.0 C2C C:HEC301 4.3 41.3 1.0 C2B C:HEC301 4.3 36.8 1.0 C3A C:HEC301 4.3 42.7 1.0 C3C C:HEC301 4.3 41.8 1.0 CD C:PRO232 4.8 39.6 1.0

Iron binding site 6 out of 6 in the Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe302 b:67.8 occ:1.00 FE C:HEC302 0.0 67.8 1.0 NC C:HEC302 2.0 48.5 1.0 NA C:HEC302 2.1 40.8 1.0 NB C:HEC302 2.1 47.4 1.0 ND C:HEC302 2.1 43.5 1.0 NE2 C:HIS173 2.2 46.8 1.0 SD C:MET116 2.5 56.9 1.0 C1C C:HEC302 3.0 47.2 1.0 C4C C:HEC302 3.0 46.8 1.0 C4B C:HEC302 3.1 43.4 1.0 C1D C:HEC302 3.1 39.8 1.0 C1A C:HEC302 3.1 46.6 1.0 CE1 C:HIS173 3.1 46.2 1.0 C4D C:HEC302 3.1 46.0 1.0 C4A C:HEC302 3.1 37.8 1.0 C1B C:HEC302 3.2 42.5 1.0 CD2 C:HIS173 3.2 46.3 1.0 CE C:MET116 3.2 29.3 1.0 CHC C:HEC302 3.4 43.0 1.0 CHD C:HEC302 3.4 36.0 1.0 CHA C:HEC302 3.5 46.5 1.0 CHB C:HEC302 3.5 39.9 1.0 CG C:MET116 3.5 35.9 1.0 C2C C:HEC302 4.2 48.0 1.0 C3C C:HEC302 4.2 51.2 1.0 ND1 C:HIS173 4.3 44.6 1.0 C3B C:HEC302 4.3 44.5 1.0 C2D C:HEC302 4.3 43.2 1.0 CG C:HIS173 4.3 48.2 1.0 C2B C:HEC302 4.3 42.9 1.0 C2A C:HEC302 4.3 45.1 1.0 C3A C:HEC302 4.4 39.0 1.0 C3D C:HEC302 4.4 46.5 1.0 CB C:MET116 4.5 36.5 1.0

L.Pereira, I.H.Saraiva, R.Coelho. Foxe P3121 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase To Be Published.