Iron in PDB 4hi4: Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa

The structure of Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa, PDB code: 4hi4 was solved by M.V.Airola, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.38 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.365, 67.435, 117.868, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 24.8

The structure of Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa (pdb code 4hi4). 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 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa, PDB code: 4hi4:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa


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 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:17.2 occ:1.00 FE A:HEM301 0.0 17.2 1.0 NA A:HEM301 2.1 13.2 1.0 ND A:HEM301 2.1 20.6 1.0 NC A:HEM301 2.2 15.5 1.0 NB A:HEM301 2.3 14.9 1.0 NE2 A:HIS234 2.4 19.1 1.0 C1A A:HEM301 3.0 21.3 1.0 C1D A:HEM301 3.0 15.3 1.0 C4C A:HEM301 3.0 15.4 1.0 C4D A:HEM301 3.0 18.2 1.0 C4A A:HEM301 3.2 16.8 1.0 C4B A:HEM301 3.2 10.8 1.0 C1C A:HEM301 3.2 15.9 1.0 C1B A:HEM301 3.3 14.4 1.0 CE1 A:HIS234 3.3 16.9 1.0 CHA A:HEM301 3.4 19.1 1.0 CHD A:HEM301 3.4 16.5 1.0 CD2 A:HIS234 3.5 17.1 1.0 CHC A:HEM301 3.6 16.7 1.0 CHB A:HEM301 3.6 16.5 1.0 CD2 A:LEU264 4.2 28.9 1.0 C2A A:HEM301 4.2 16.2 1.0 C2D A:HEM301 4.3 22.8 1.0 C3D A:HEM301 4.3 30.2 1.0 C3C A:HEM301 4.3 16.9 1.0 C3A A:HEM301 4.3 15.7 1.0 CD1 A:LEU255 4.3 17.8 1.0 HHA A:HEM301 4.4 22.9 1.0 HHD A:HEM301 4.4 19.8 1.0 C2C A:HEM301 4.4 13.8 1.0 C3B A:HEM301 4.5 12.7 1.0 ND1 A:HIS234 4.5 17.0 1.0 C2B A:HEM301 4.5 16.3 1.0 HHC A:HEM301 4.5 20.0 1.0 CG A:HIS234 4.6 23.8 1.0 HHB A:HEM301 4.6 19.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa


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 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:17.1 occ:1.00 FE B:HEM301 0.0 17.1 1.0 NA B:HEM301 2.1 12.0 1.0 ND B:HEM301 2.1 21.6 1.0 NC B:HEM301 2.2 15.1 1.0 NB B:HEM301 2.3 15.8 1.0 NE2 B:HIS234 2.4 19.7 1.0 C1A B:HEM301 3.0 22.1 1.0 C1D B:HEM301 3.0 16.7 1.0 C4C B:HEM301 3.0 14.4 1.0 C4D B:HEM301 3.1 18.6 1.0 C4A B:HEM301 3.2 17.3 1.0 C1C B:HEM301 3.2 16.7 1.0 C4B B:HEM301 3.2 11.3 1.0 C1B B:HEM301 3.3 14.6 1.0 CE1 B:HIS234 3.3 16.2 1.0 CHD B:HEM301 3.4 15.9 1.0 CHA B:HEM301 3.4 19.0 1.0 CD2 B:HIS234 3.4 17.0 1.0 CHC B:HEM301 3.6 18.1 1.0 CHB B:HEM301 3.6 17.5 1.0 CD2 B:LEU264 4.1 29.1 1.0 C2A B:HEM301 4.2 16.1 1.0 C3C B:HEM301 4.2 15.7 1.0 C2D B:HEM301 4.2 23.6 1.0 C3D B:HEM301 4.3 29.4 1.0 CD1 B:LEU255 4.3 18.4 1.0 C3A B:HEM301 4.3 15.7 1.0 HHD B:HEM301 4.3 19.1 1.0 C2C B:HEM301 4.4 13.6 1.0 HHA B:HEM301 4.4 22.8 1.0 C3B B:HEM301 4.4 13.4 1.0 ND1 B:HIS234 4.5 16.1 1.0 C2B B:HEM301 4.5 17.2 1.0 HHC B:HEM301 4.5 21.7 1.0 CG B:HIS234 4.6 22.7 1.0 HHB B:HEM301 4.6 20.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa


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 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:44.0 occ:1.00 FE D:HEM301 0.0 44.0 1.0 NA D:HEM301 2.1 40.8 1.0 ND D:HEM301 2.1 32.5 1.0 NC D:HEM301 2.2 37.8 1.0 NB D:HEM301 2.4 51.2 1.0 NE2 D:HIS234 2.6 41.7 1.0 C1D D:HEM301 3.0 40.9 1.0 C4C D:HEM301 3.0 37.4 1.0 C1A D:HEM301 3.1 39.0 1.0 C4D D:HEM301 3.1 36.6 1.0 C4A D:HEM301 3.2 49.6 1.0 C1C D:HEM301 3.2 44.0 1.0 C4B D:HEM301 3.3 48.6 1.0 CHD D:HEM301 3.3 35.3 1.0 C1B D:HEM301 3.3 46.1 1.0 CHA D:HEM301 3.4 39.4 1.0 CE1 D:HIS234 3.5 35.4 1.0 CD2 D:HIS234 3.5 43.0 1.0 CHC D:HEM301 3.6 44.4 1.0 CHB D:HEM301 3.7 50.9 1.0 CD1 D:LEU255 3.9 38.6 1.0 C2D D:HEM301 4.2 50.5 1.0 C3D D:HEM301 4.2 50.7 1.0 C3C D:HEM301 4.2 35.7 1.0 CD2 D:LEU264 4.3 27.3 1.0 C2A D:HEM301 4.3 43.3 1.0 HHD D:HEM301 4.3 42.4 1.0 C3A D:HEM301 4.3 51.4 1.0 C2C D:HEM301 4.3 44.2 1.0 HHA D:HEM301 4.4 47.3 1.0 C3B D:HEM301 4.5 38.8 1.0 C2B D:HEM301 4.5 41.1 1.0 HHC D:HEM301 4.6 53.2 1.0 HHB D:HEM301 4.6 61.0 1.0 ND1 D:HIS234 4.6 37.2 1.0 CG D:HIS234 4.7 44.7 1.0 CG D:LEU255 4.9 42.4 1.0 CD2 D:LEU255 4.9 43.7 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa


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 5-Coordinate Ferric Heme-Binding Pas Domain of AER2 From P. Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe301 b:44.3 occ:1.00 FE G:HEM301 0.0 44.3 1.0 NA G:HEM301 2.1 42.4 1.0 ND G:HEM301 2.1 33.0 1.0 NC G:HEM301 2.2 37.7 1.0 NB G:HEM301 2.4 49.5 1.0 NE2 G:HIS234 2.5 42.4 1.0 C1D G:HEM301 3.0 41.0 1.0 C4C G:HEM301 3.0 37.7 1.0 C1A G:HEM301 3.1 40.3 1.0 C4D G:HEM301 3.1 35.3 1.0 C4A G:HEM301 3.2 48.3 1.0 C1C G:HEM301 3.2 44.6 1.0 C4B G:HEM301 3.3 48.8 1.0 CHD G:HEM301 3.3 32.8 1.0 C1B G:HEM301 3.3 45.8 1.0 CHA G:HEM301 3.4 38.0 1.0 CE1 G:HIS234 3.4 35.4 1.0 CD2 G:HIS234 3.5 42.5 1.0 CHC G:HEM301 3.6 46.5 1.0 CHB G:HEM301 3.6 49.6 1.0 CD1 G:LEU255 3.9 37.4 1.0 C2D G:HEM301 4.2 49.8 1.0 C3D G:HEM301 4.2 49.8 1.0 C3C G:HEM301 4.2 35.1 1.0 CD2 G:LEU264 4.2 24.0 1.0 C2A G:HEM301 4.3 41.9 1.0 HHD G:HEM301 4.3 39.4 1.0 C3A G:HEM301 4.3 50.7 1.0 C2C G:HEM301 4.4 43.8 1.0 HHA G:HEM301 4.4 45.6 1.0 C3B G:HEM301 4.5 38.9 1.0 C2B G:HEM301 4.5 40.9 1.0 HHC G:HEM301 4.6 55.8 1.0 ND1 G:HIS234 4.6 34.0 1.0 HHB G:HEM301 4.6 59.5 1.0 CG G:HIS234 4.7 43.1 1.0 CD2 G:LEU255 4.9 44.8 1.0 CG G:LEU255 5.0 43.7 1.0

M.V.Airola, D.Huh, N.Sukomon, J.Widom, R.Sircar, P.P.Borbat, J.H.Freed, K.J.Watts, B.R.Crane. Architecture of the Soluble Receptor AER2 Indicates An in-Line Mechanism For Pas and Hamp Domain Signaling. J.Mol.Biol. V. 425 886 2013.
ISSN: ISSN 0022-2836
PubMed: 23274111
DOI: 10.1016/J.JMB.2012.12.011