Iron in PDB 2q9u: Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis

The structure of Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis, PDB code: 2q9u was solved by A.Di Matteo, F.M.Scandurra, F.Testa, E.Forte, P.Sarti, M.Brunori, A.Giuffre, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.967, 115.059, 67.732, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.4

The binding sites of Iron atom in the Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis (pdb code 2q9u). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis, PDB code: 2q9u:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:11.4 occ:1.00 FE1 A:FEO701 0.0 11.4 1.0 O A:FEO701 1.8 11.7 1.0 OD1 A:ASP171 2.0 11.6 1.0 O2 A:NO3501 2.1 19.2 1.0 OD2 A:ASP89 2.1 12.5 1.0 NE2 A:HIS230 2.1 9.6 1.0 NE2 A:HIS90 2.2 11.4 1.0 CG A:ASP171 3.0 14.2 1.0 CG A:ASP89 3.1 11.9 1.0 CD2 A:HIS230 3.1 9.5 1.0 CE1 A:HIS230 3.1 12.2 1.0 N A:NO3501 3.1 19.3 1.0 CE1 A:HIS90 3.1 10.6 1.0 CD2 A:HIS90 3.2 11.8 1.0 OD2 A:ASP171 3.3 14.1 1.0 OD1 A:ASP89 3.4 10.2 1.0 O3 A:NO3501 3.4 21.4 1.0 FE2 A:FEO701 3.5 14.5 1.0 OH A:TYR199 4.0 17.8 1.0 ND1 A:HIS230 4.2 11.1 1.0 ND1 A:HIS90 4.2 10.2 1.0 CG A:HIS230 4.2 9.4 1.0 CG A:HIS90 4.3 11.8 1.0 O1 A:NO3501 4.3 23.1 1.0 CB A:ASP89 4.4 11.9 1.0 CB A:ASP171 4.4 11.9 1.0 OE1 A:GLU87 4.7 14.9 1.0 CD2 A:HIS85 4.7 13.7 1.0 CA A:ASP171 4.9 11.9 1.0 NE2 A:HIS85 4.9 13.5 1.0 CD A:GLU87 4.9 14.2 1.0 CE2 A:PHE30 5.0 22.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:14.5 occ:1.00 FE2 A:FEO701 0.0 14.5 1.0 OD2 A:ASP171 2.0 14.1 1.0 O A:FEO701 2.1 11.7 1.0 OE1 A:GLU87 2.1 14.9 1.0 NE2 A:HIS152 2.2 18.0 1.0 O3 A:NO3501 2.3 21.4 1.0 NE2 A:HIS85 2.3 13.5 1.0 CD2 A:HIS85 3.1 13.7 1.0 CE1 A:HIS152 3.1 19.2 1.0 CG A:ASP171 3.1 14.2 1.0 CD A:GLU87 3.2 14.2 1.0 CD2 A:HIS152 3.2 16.9 1.0 N A:NO3501 3.4 19.3 1.0 CE1 A:HIS85 3.4 14.9 1.0 FE1 A:FEO701 3.5 11.4 1.0 OD1 A:ASP171 3.5 11.6 1.0 O2 A:NO3501 3.7 19.2 1.0 CB A:GLU87 3.9 11.2 1.0 OE2 A:GLU87 3.9 18.9 1.0 CG A:GLU87 4.1 14.0 1.0 O A:HOH1035 4.1 17.5 1.0 ND1 A:HIS152 4.2 19.1 1.0 CG A:HIS85 4.3 14.4 1.0 OD1 A:ASP89 4.3 10.2 1.0 CG A:HIS152 4.3 15.3 1.0 CB A:ASP171 4.4 11.9 1.0 ND1 A:HIS85 4.4 15.0 1.0 NE2 A:HIS90 4.6 11.4 1.0 OD2 A:ASP89 4.6 12.5 1.0 O1 A:NO3501 4.6 23.1 1.0 CD2 A:HIS90 4.7 11.8 1.0 OH A:TYR199 4.8 17.8 1.0 CG A:ASP89 4.9 11.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:12.5 occ:1.00 FE1 B:FEO701 0.0 12.5 1.0 O3 B:NO3501 2.0 19.1 1.0 O B:FEO701 2.0 11.1 1.0 NE2 B:HIS90 2.1 12.3 1.0 OD2 B:ASP89 2.1 12.4 1.0 OD1 B:ASP171 2.1 11.9 1.0 NE2 B:HIS230 2.2 10.6 1.0 CD2 B:HIS90 3.0 12.4 1.0 CE1 B:HIS90 3.0 10.8 1.0 CG B:ASP89 3.0 12.8 1.0 CD2 B:HIS230 3.1 11.0 1.0 N B:NO3501 3.1 17.8 1.0 CG B:ASP171 3.1 13.0 1.0 CE1 B:HIS230 3.2 12.6 1.0 OD1 B:ASP89 3.3 12.2 1.0 OD2 B:ASP171 3.5 12.6 1.0 O2 B:NO3501 3.5 18.9 1.0 FE2 B:FEO701 3.5 14.5 1.0 ND1 B:HIS90 4.1 13.7 1.0 OH B:TYR199 4.1 18.8 1.0 CG B:HIS90 4.1 13.1 1.0 CG B:HIS230 4.3 10.1 1.0 ND1 B:HIS230 4.3 10.6 1.0 O1 B:NO3501 4.3 21.3 1.0 CB B:ASP89 4.4 11.9 1.0 CB B:ASP171 4.5 12.9 1.0 CD2 B:HIS85 4.7 11.7 1.0 OE1 B:GLU87 4.8 14.6 1.0 CA B:ASP171 4.9 12.6 1.0 NE2 B:HIS85 4.9 12.8 1.0 CD B:GLU87 5.0 14.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Flavodiiron Protein From Giardia Intestinalis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:14.5 occ:1.00 FE2 B:FEO701 0.0 14.5 1.0 O B:FEO701 1.9 11.1 1.0 NE2 B:HIS152 2.1 12.5 1.0 OD2 B:ASP171 2.1 12.6 1.0 OE1 B:GLU87 2.1 14.6 1.0 O2 B:NO3501 2.2 18.9 1.0 NE2 B:HIS85 2.3 12.8 1.0 CE1 B:HIS152 3.0 15.6 1.0 CD2 B:HIS85 3.1 11.7 1.0 CG B:ASP171 3.1 13.0 1.0 CD B:GLU87 3.1 14.8 1.0 CD2 B:HIS152 3.2 12.8 1.0 CE1 B:HIS85 3.3 9.9 1.0 N B:NO3501 3.4 17.8 1.0 OD1 B:ASP171 3.5 11.9 1.0 FE1 B:FEO701 3.5 12.5 1.0 O3 B:NO3501 3.7 19.1 1.0 OE2 B:GLU87 3.8 18.5 1.0 CB B:GLU87 3.9 12.7 1.0 CG B:GLU87 4.1 15.8 1.0 O B:HOH1046 4.1 16.2 1.0 ND1 B:HIS152 4.2 18.3 1.0 CG B:HIS152 4.3 13.7 1.0 CG B:HIS85 4.3 13.4 1.0 OD1 B:ASP89 4.3 12.2 1.0 ND1 B:HIS85 4.4 13.7 1.0 CB B:ASP171 4.4 12.9 1.0 NE2 B:HIS90 4.6 12.3 1.0 CD2 B:HIS90 4.6 12.4 1.0 O1 B:NO3501 4.6 21.3 1.0 OD2 B:ASP89 4.8 12.4 1.0 OH B:TYR199 4.8 18.8 1.0

A.Di Matteo, F.M.Scandurra, F.Testa, E.Forte, P.Sarti, M.Brunori, A.Giuffre. The O2-Scavenging Flavodiiron Protein in the Human Parasite Giardia Intestinalis J.Biol.Chem. V. 283 4061 2008.
ISSN: ISSN 0021-9258
PubMed: 18077462
DOI: 10.1074/JBC.M705605200