Iron in PDB 3vol: X-Ray Crystal Structure of Pas-Hamp AER2 in the Cn-Bound Form

The structure of X-Ray Crystal Structure of Pas-Hamp AER2 in the Cn-Bound Form, PDB code: 3vol was solved by H.Sawai, H.Sugimoto, Y.Shiro, S.Aono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 2.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.020, 83.020, 107.760, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 26.8

The binding sites of Iron atom in the X-Ray Crystal Structure of Pas-Hamp AER2 in the Cn-Bound Form (pdb code 3vol). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the X-Ray Crystal Structure of Pas-Hamp AER2 in the Cn-Bound Form, PDB code: 3vol:

Iron binding site 1 out of 1 in the X-Ray Crystal Structure of Pas-Hamp AER2 in the Cn-Bound Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of Pas-Hamp AER2 in the Cn-Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:47.4 occ:1.00 FE A:HEM401 0.0 47.4 1.0 NB A:HEM401 1.9 44.4 1.0 C A:CYN402 1.9 37.7 1.0 NC A:HEM401 2.0 47.5 1.0 NA A:HEM401 2.0 51.5 1.0 ND A:HEM401 2.0 52.1 1.0 NE2 A:HIS234 2.1 71.0 1.0 N A:CYN402 2.9 42.5 1.0 C1B A:HEM401 2.9 49.3 1.0 C4C A:HEM401 2.9 46.6 1.0 C4A A:HEM401 2.9 50.7 1.0 C1D A:HEM401 3.0 50.4 1.0 CE1 A:HIS234 3.0 70.6 1.0 C4B A:HEM401 3.0 47.9 1.0 CD2 A:HIS234 3.1 67.8 1.0 C1C A:HEM401 3.1 47.2 1.0 C1A A:HEM401 3.1 51.2 1.0 C4D A:HEM401 3.1 55.1 1.0 CHB A:HEM401 3.3 46.6 1.0 CHD A:HEM401 3.3 46.7 1.0 CHA A:HEM401 3.6 51.2 1.0 CHC A:HEM401 3.6 45.9 1.0 C3C A:HEM401 4.1 49.1 1.0 ND1 A:HIS234 4.1 64.7 1.0 C2B A:HEM401 4.2 51.8 1.0 C3A A:HEM401 4.2 52.9 1.0 CG A:HIS234 4.2 64.2 1.0 C3B A:HEM401 4.2 45.9 1.0 C2C A:HEM401 4.3 45.5 1.0 C2A A:HEM401 4.3 54.8 1.0 C2D A:HEM401 4.3 51.8 1.0 C3D A:HEM401 4.4 50.5 1.0 NE2 A:GLN240 4.7 59.6 1.0

H.Sawai, H.Sugimoto, Y.Shiro, H.Ishikawa, Y.Mizutani, S.Aono. Structural Basis For Oxygen Sensing and Signal Transduction of the Heme-Based Sensor Protein AER2 From Pseudomonas Aeruginosa Chem.Commun.(Camb.) V. 48 6523 2012.
ISSN: ISSN 1359-7345
PubMed: 22622145
DOI: 10.1039/C2CC32549G