Iron in PDB 5mvo: Foxe P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase

The structure of Foxe P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase, PDB code: 5mvo 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)	49.85 / 2.67
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	116.850, 116.850, 191.130, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 17.4

The structure of Foxe P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase also contains other interesting chemical elements:

Copper

(Cu)

2 atoms

The binding sites of Iron atom in the Foxe P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase (pdb code 5mvo). 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 P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase, PDB code: 5mvo:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Foxe P43212 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 P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:54.6 occ:1.00 FE A:HEC301 0.0 54.6 1.0 ND A:HEC301 2.0 51.8 1.0 NA A:HEC301 2.0 60.0 1.0 NC A:HEC301 2.0 64.5 1.0 NB A:HEC301 2.1 58.6 1.0 NE2 A:HIS63 2.1 55.0 1.0 SD A:MET230 2.2 65.4 1.0 C1D A:HEC301 3.0 58.9 1.0 C4C A:HEC301 3.0 64.8 1.0 C4A A:HEC301 3.0 63.7 1.0 CE1 A:HIS63 3.0 59.3 1.0 C4D A:HEC301 3.1 58.8 1.0 C1A A:HEC301 3.1 60.1 1.0 C1B A:HEC301 3.1 58.5 1.0 C1C A:HEC301 3.1 62.4 1.0 C4B A:HEC301 3.1 61.7 1.0 CD2 A:HIS63 3.1 53.3 1.0 CHD A:HEC301 3.3 66.2 1.0 CG A:MET230 3.3 61.6 1.0 CHB A:HEC301 3.4 64.9 1.0 CHA A:HEC301 3.4 58.5 1.0 CHC A:HEC301 3.5 62.4 1.0 CE A:MET230 3.5 53.1 1.0 ND1 A:HIS63 4.2 56.2 1.0 C2D A:HEC301 4.2 66.8 1.0 C3C A:HEC301 4.2 62.8 1.0 C3A A:HEC301 4.2 61.4 1.0 CG A:HIS63 4.3 53.8 1.0 C2A A:HEC301 4.3 65.1 1.0 C3D A:HEC301 4.3 65.7 1.0 C2C A:HEC301 4.3 62.9 1.0 CB A:MET230 4.3 53.5 1.0 C2B A:HEC301 4.3 54.8 1.0 C3B A:HEC301 4.3 55.7 1.0

Iron binding site 2 out of 6 in the Foxe P43212 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 P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:0.3 occ:1.00 FE A:HEC302 0.0 0.3 1.0 NB A:HEC302 2.0 0.1 1.0 NC A:HEC302 2.0 0.2 1.0 NA A:HEC302 2.1 0.7 1.0 ND A:HEC302 2.1 0.7 1.0 NE2 A:HIS173 2.5 0.8 1.0 SD A:MET116 2.5 0.9 1.0 C1B A:HEC302 3.0 0.7 1.0 C4B A:HEC302 3.0 0.9 1.0 C4A A:HEC302 3.0 0.1 1.0 C4C A:HEC302 3.0 0.2 1.0 C1C A:HEC302 3.1 0.7 1.0 C1D A:HEC302 3.1 0.9 1.0 C1A A:HEC302 3.2 0.4 1.0 C4D A:HEC302 3.2 0.2 1.0 CE A:MET116 3.3 69.9 1.0 CD2 A:HIS173 3.3 0.8 1.0 CHB A:HEC302 3.3 0.2 1.0 CHD A:HEC302 3.4 0.6 1.0 CHC A:HEC302 3.4 0.5 1.0 CE1 A:HIS173 3.5 0.3 1.0 CHA A:HEC302 3.6 0.3 1.0 CG A:MET116 3.7 93.5 1.0 C2B A:HEC302 4.2 0.6 1.0 C3B A:HEC302 4.2 0.9 1.0 C2C A:HEC302 4.3 0.7 1.0 C3C A:HEC302 4.3 0.7 1.0 C3A A:HEC302 4.3 0.2 1.0 C2D A:HEC302 4.3 0.3 1.0 C2A A:HEC302 4.4 0.0 1.0 C3D A:HEC302 4.4 0.5 1.0 CG A:HIS173 4.5 0.9 1.0 ND1 A:HIS173 4.6 0.1 1.0 CB A:MET116 4.7 95.1 1.0

Iron binding site 3 out of 6 in the Foxe P43212 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 P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:45.5 occ:1.00 FE B:HEC301 0.0 45.5 1.0 NB B:HEC301 2.0 57.0 1.0 NE2 B:HIS63 2.0 57.4 1.0 NA B:HEC301 2.0 48.9 1.0 NC B:HEC301 2.1 56.9 1.0 ND B:HEC301 2.1 46.5 1.0 SD B:MET230 2.2 44.6 1.0 CE1 B:HIS63 3.0 56.6 1.0 CD2 B:HIS63 3.0 54.6 1.0 C4A B:HEC301 3.0 53.2 1.0 C1B B:HEC301 3.0 59.2 1.0 C4B B:HEC301 3.0 54.8 1.0 C1A B:HEC301 3.1 53.5 1.0 C1C B:HEC301 3.1 53.8 1.0 C4D B:HEC301 3.1 53.9 1.0 C1D B:HEC301 3.1 49.5 1.0 C4C B:HEC301 3.1 51.4 1.0 CG B:MET230 3.3 54.7 1.0 CHB B:HEC301 3.4 59.2 1.0 CHC B:HEC301 3.4 50.1 1.0 CHA B:HEC301 3.4 56.7 1.0 CHD B:HEC301 3.5 52.1 1.0 CE B:MET230 3.5 29.6 1.0 ND1 B:HIS63 4.1 54.3 1.0 CG B:HIS63 4.1 50.1 1.0 C3A B:HEC301 4.2 51.1 1.0 C2B B:HEC301 4.2 55.0 1.0 C3B B:HEC301 4.2 60.4 1.0 C2A B:HEC301 4.3 49.3 1.0 C2C B:HEC301 4.3 48.3 1.0 C3C B:HEC301 4.3 44.0 1.0 CB B:MET230 4.3 51.4 1.0 C2D B:HEC301 4.3 49.2 1.0 C3D B:HEC301 4.3 52.2 1.0 CD B:PRO232 5.0 53.0 1.0

Iron binding site 4 out of 6 in the Foxe P43212 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 P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:47.9 occ:1.00 FE B:HEC302 0.0 47.9 1.0 NC B:HEC302 1.9 47.7 1.0 NB B:HEC302 2.0 48.6 1.0 ND B:HEC302 2.1 49.7 1.0 NE2 B:HIS173 2.1 42.8 1.0 NA B:HEC302 2.1 55.2 1.0 SD B:MET116 2.3 44.7 1.0 C4C B:HEC302 3.0 48.0 1.0 C1C B:HEC302 3.0 52.5 1.0 CE1 B:HIS173 3.0 45.9 1.0 C4B B:HEC302 3.0 51.8 1.0 C1D B:HEC302 3.0 50.4 1.0 C1B B:HEC302 3.1 50.5 1.0 C4A B:HEC302 3.1 56.1 1.0 C4D B:HEC302 3.1 56.8 1.0 CD2 B:HIS173 3.2 48.8 1.0 C1A B:HEC302 3.2 54.8 1.0 CE B:MET116 3.2 37.0 1.0 CHD B:HEC302 3.3 52.5 1.0 CHC B:HEC302 3.4 51.7 1.0 CG B:MET116 3.4 49.7 1.0 CHB B:HEC302 3.4 54.2 1.0 CHA B:HEC302 3.5 54.3 1.0 ND1 B:HIS173 4.1 52.2 1.0 C2C B:HEC302 4.2 52.2 1.0 C3C B:HEC302 4.2 46.7 1.0 C3B B:HEC302 4.2 53.5 1.0 CG B:HIS173 4.2 54.0 1.0 C2D B:HEC302 4.3 50.5 1.0 C2B B:HEC302 4.3 53.3 1.0 CB B:MET116 4.3 47.3 1.0 C3A B:HEC302 4.3 58.8 1.0 C3D B:HEC302 4.3 53.8 1.0 C2A B:HEC302 4.4 58.7 1.0

Iron binding site 5 out of 6 in the Foxe P43212 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 P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:46.8 occ:1.00 FE C:HEC301 0.0 46.8 1.0 NE2 C:HIS63 2.0 43.5 1.0 NC C:HEC301 2.0 46.8 1.0 NA C:HEC301 2.0 44.9 1.0 NB C:HEC301 2.0 40.7 1.0 ND C:HEC301 2.1 46.9 1.0 SD C:MET230 2.2 47.5 1.0 CE1 C:HIS63 3.0 44.0 1.0 CD2 C:HIS63 3.0 46.9 1.0 C4C C:HEC301 3.0 49.2 1.0 C1C C:HEC301 3.0 46.8 1.0 C4A C:HEC301 3.0 43.6 1.0 C1D C:HEC301 3.1 50.9 1.0 C4B C:HEC301 3.1 46.5 1.0 C1A C:HEC301 3.1 46.1 1.0 C1B C:HEC301 3.1 39.8 1.0 C4D C:HEC301 3.1 48.5 1.0 CHD C:HEC301 3.4 53.6 1.0 CHC C:HEC301 3.4 50.3 1.0 CG C:MET230 3.4 47.2 1.0 CHB C:HEC301 3.4 42.9 1.0 CHA C:HEC301 3.4 51.1 1.0 CE C:MET230 3.5 52.5 1.0 ND1 C:HIS63 4.1 48.5 1.0 CG C:HIS63 4.1 49.6 1.0 C2C C:HEC301 4.2 43.7 1.0 C3C C:HEC301 4.2 43.2 1.0 C3A C:HEC301 4.3 46.5 1.0 C2A C:HEC301 4.3 42.4 1.0 C3B C:HEC301 4.3 45.3 1.0 C2B C:HEC301 4.3 41.1 1.0 C2D C:HEC301 4.3 56.8 1.0 C3D C:HEC301 4.3 50.6 1.0 CB C:MET230 4.4 43.8 1.0

Iron binding site 6 out of 6 in the Foxe P43212 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 P43212 Crystal Structure of Rhodopseudomonas Ferrooxidans SW2 Putative Iron Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe302 b:52.0 occ:1.00 FE C:HEC302 0.0 52.0 1.0 NC C:HEC302 2.0 44.5 1.0 NE2 C:HIS173 2.0 50.0 1.0 NA C:HEC302 2.0 49.5 1.0 NB C:HEC302 2.1 49.4 1.0 ND C:HEC302 2.1 53.1 1.0 SD C:MET116 2.3 49.5 1.0 CE1 C:HIS173 2.9 47.8 1.0 C4C C:HEC302 3.0 50.1 1.0 C1C C:HEC302 3.0 46.9 1.0 C4A C:HEC302 3.0 47.6 1.0 C1D C:HEC302 3.0 48.8 1.0 C4B C:HEC302 3.1 50.2 1.0 C1B C:HEC302 3.1 49.4 1.0 C1A C:HEC302 3.1 54.0 1.0 C4D C:HEC302 3.1 54.9 1.0 CD2 C:HIS173 3.1 56.1 1.0 CE C:MET116 3.3 47.9 1.0 CHD C:HEC302 3.4 50.2 1.0 CHC C:HEC302 3.4 50.9 1.0 CHB C:HEC302 3.4 48.0 1.0 CG C:MET116 3.4 44.2 1.0 CHA C:HEC302 3.5 55.0 1.0 ND1 C:HIS173 4.0 45.3 1.0 CG C:HIS173 4.2 51.3 1.0 C3C C:HEC302 4.2 52.2 1.0 C2C C:HEC302 4.2 50.2 1.0 C3A C:HEC302 4.3 49.5 1.0 C2D C:HEC302 4.3 47.4 1.0 C2A C:HEC302 4.3 52.9 1.0 C3B C:HEC302 4.3 47.8 1.0 C2B C:HEC302 4.3 48.1 1.0 C3D C:HEC302 4.3 48.1 1.0 CB C:MET116 4.4 47.4 1.0

L.Pereira, I.H.Saraiva, R.Coelho, D.K.Newman, R.O.Louro, C.Frazao. Crystallization and Preliminary Crystallographic Studies of Foxe From Rhodobacter Ferrooxidans SW2, An Fe(II) Oxidoreductase Involved in Photoferrotrophy. Acta Crystallogr. Sect. F V. 68 1106 2012STRUCT. Biol. Cryst. Commun..
ISSN: ESSN 1744-3091
PubMed: 22949206
DOI: 10.1107/S174430911203271X