Iron in PDB 3ell: Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap)

The structure of Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap), PDB code: 3ell was solved by E.Schonbrunn, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	47.700, 47.700, 141.290, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 18.9

The binding sites of Iron atom in the Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap) (pdb code 3ell). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap), PDB code: 3ell:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:12.9 occ:1.00 FE A:HEM200 0.0 12.9 1.0 NB A:HEM200 1.9 11.3 1.0 NC A:HEM200 2.0 10.9 1.0 NE2 A:HIS32 2.0 12.2 1.0 NA A:HEM200 2.0 13.6 1.0 OH A:TYR75 2.0 12.7 1.0 ND A:HEM200 2.1 11.8 1.0 C4B A:HEM200 2.9 12.4 1.0 CE1 A:HIS32 3.0 13.1 1.0 C1B A:HEM200 3.0 13.5 1.0 CZ A:TYR75 3.0 10.3 1.0 C1C A:HEM200 3.0 12.7 1.0 C4A A:HEM200 3.0 13.8 1.0 CD2 A:HIS32 3.0 11.6 1.0 C4C A:HEM200 3.1 12.7 1.0 C1A A:HEM200 3.1 13.0 1.0 C1D A:HEM200 3.1 11.6 1.0 C4D A:HEM200 3.1 12.4 1.0 CHC A:HEM200 3.4 12.2 1.0 CHB A:HEM200 3.4 12.4 1.0 CHD A:HEM200 3.5 11.9 1.0 CHA A:HEM200 3.5 13.5 1.0 CE2 A:TYR75 3.7 10.4 1.0 CE1 A:TYR75 3.7 8.8 1.0 ND1 A:HIS83 4.0 11.6 1.0 ND1 A:HIS32 4.1 12.4 1.0 CG A:HIS32 4.2 13.8 1.0 C3B A:HEM200 4.2 11.1 1.0 C2B A:HEM200 4.2 14.7 1.0 C2C A:HEM200 4.2 12.4 1.0 C3A A:HEM200 4.3 14.3 1.0 C3C A:HEM200 4.3 13.4 1.0 C2D A:HEM200 4.3 13.0 1.0 C3D A:HEM200 4.3 12.6 1.0 C2A A:HEM200 4.3 15.3 1.0 CE1 A:HIS83 4.7 14.5 1.0 CG A:HIS83 4.8 14.1 1.0 CD2 A:TYR75 4.9 10.9 1.0 CD1 A:TYR75 4.9 12.1 1.0 CB A:HIS83 4.9 9.9 1.0

Iron binding site 2 out of 2 in the Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Hemophore From Pseudomonas Aeruginosa (Hasap) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:12.6 occ:1.00 FE B:HEM200 0.0 12.6 1.0 ND B:HEM200 1.9 10.7 1.0 NA B:HEM200 2.0 13.3 1.0 NE2 B:HIS32 2.0 10.6 1.0 OH B:TYR75 2.0 13.2 1.0 NC B:HEM200 2.0 11.7 1.0 NB B:HEM200 2.1 11.7 1.0 C1D B:HEM200 2.9 10.8 1.0 C4D B:HEM200 3.0 12.1 1.0 CE1 B:HIS32 3.0 11.5 1.0 CD2 B:HIS32 3.0 11.5 1.0 CZ B:TYR75 3.0 12.7 1.0 C1A B:HEM200 3.0 13.2 1.0 C4C B:HEM200 3.1 12.9 1.0 C4A B:HEM200 3.1 13.2 1.0 C1C B:HEM200 3.1 12.3 1.0 C1B B:HEM200 3.1 13.1 1.0 C4B B:HEM200 3.1 13.0 1.0 CHA B:HEM200 3.4 12.7 1.0 CHD B:HEM200 3.4 11.5 1.0 CHB B:HEM200 3.5 12.1 1.0 CHC B:HEM200 3.5 12.5 1.0 CE1 B:TYR75 3.8 9.6 1.0 CE2 B:TYR75 3.8 10.5 1.0 ND1 B:HIS83 3.9 12.0 1.0 ND1 B:HIS32 4.1 11.5 1.0 CG B:HIS32 4.1 12.3 1.0 C2D B:HEM200 4.1 12.2 1.0 C3D B:HEM200 4.2 11.7 1.0 C3A B:HEM200 4.3 13.7 1.0 C2A B:HEM200 4.3 15.2 1.0 C3C B:HEM200 4.3 12.7 1.0 C2C B:HEM200 4.3 10.9 1.0 C2B B:HEM200 4.4 13.4 1.0 C3B B:HEM200 4.4 12.2 1.0 CE1 B:HIS83 4.6 15.0 1.0 CG B:HIS83 4.7 12.7 1.0 CB B:HIS83 4.8 8.9 1.0 CD2 B:TYR75 5.0 11.6 1.0 CD1 B:TYR75 5.0 11.8 1.0

A.Y.Alontaga, J.C.Rodriguez, E.Schonbrunn, A.Becker, T.Funke, E.T.Yukl, T.Hayashi, J.Stobaugh, P.Moenne-Loccoz, M.Rivera. Structural Characterization of the Hemophore Hasap From Pseudomonas Aeruginosa: uc(Nmr) Spectroscopy Reveals Protein-Protein Interactions Between Holo-Hasap and Hemoglobin. Biochemistry V. 48 96 2009.
ISSN: ISSN 0006-2960
PubMed: 19072037
DOI: 10.1021/BI801860G