Iron in PDB 1ji5: Dlp-1 From Bacillus Anthracis

The structure of Dlp-1 From Bacillus Anthracis, PDB code: 1ji5 was solved by E.Papinutto, W.G.Dundon, N.Pitulis, R.Battistutta, C.Montecucco, G.Zanotti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.26 / 2.50
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	89.224, 89.224, 210.165, 90.00, 90.00, 120.00
R / Rfree (%)	22.6 / 29.1

The binding sites of Iron atom in the Dlp-1 From Bacillus Anthracis (pdb code 1ji5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Dlp-1 From Bacillus Anthracis, PDB code: 1ji5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Dlp-1 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dlp-1 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe152 b:56.1 occ:1.00 NE2 B:HIS27 1.9 40.6 1.0 OD2 A:ASP54 2.1 53.4 1.0 O B:HOH2028 2.2 55.9 1.0 OE2 A:GLU58 2.4 61.0 1.0 OD1 A:ASP54 2.7 54.8 1.0 CG A:ASP54 2.8 52.7 1.0 CD2 B:HIS27 2.8 40.0 1.0 CE1 B:HIS27 2.9 35.1 1.0 CD A:GLU58 3.1 58.8 1.0 O B:HOH2009 3.4 55.7 1.0 OE1 A:GLU58 3.6 60.3 1.0 OH B:TYR46 3.9 53.2 1.0 CG B:HIS27 4.0 40.5 1.0 CE1 B:HIS39 4.0 45.2 1.0 ND1 B:HIS27 4.0 37.3 1.0 CG A:GLU58 4.0 58.0 1.0 NE2 B:HIS39 4.1 46.6 1.0 OE1 B:GLU43 4.2 60.3 1.0 CB A:ASP54 4.3 49.4 1.0 OE2 B:GLU43 4.4 58.4 1.0 CD B:GLU43 4.5 57.5 1.0 NE1 B:TRP28 4.5 42.1 1.0 CD1 B:TRP28 4.7 45.0 1.0

Iron binding site 2 out of 4 in the Dlp-1 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dlp-1 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe151 b:43.7 occ:1.00 OD2 B:ASP54 2.0 53.4 1.0 O A:HOH198 2.0 36.4 1.0 NE2 A:HIS27 2.1 26.1 1.0 OE2 B:GLU58 2.4 47.3 1.0 CG B:ASP54 2.7 49.7 1.0 OD1 B:ASP54 2.7 52.0 1.0 CD B:GLU58 2.9 49.1 1.0 CD2 A:HIS27 3.0 35.6 1.0 CE1 A:HIS27 3.1 33.4 1.0 OE1 B:GLU58 3.3 54.3 1.0 O A:HOH158 3.8 52.8 1.0 CG B:GLU58 3.8 49.8 1.0 OH A:TYR46 4.0 39.8 1.0 CE1 A:HIS39 4.1 36.8 1.0 NE2 A:HIS39 4.1 34.7 1.0 CG A:HIS27 4.1 37.4 1.0 CB B:ASP54 4.1 46.6 1.0 ND1 A:HIS27 4.2 38.9 1.0 OE1 A:GLU43 4.4 50.1 1.0 NE1 A:TRP28 4.5 52.7 1.0 OE2 A:GLU43 4.5 53.0 1.0 CD A:GLU43 4.6 52.0 1.0 CD1 A:TRP28 4.8 51.3 1.0 O B:ASP54 4.9 42.2 1.0

Iron binding site 3 out of 4 in the Dlp-1 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Dlp-1 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe154 b:44.0 occ:1.00 O D:HOH192 1.8 38.6 1.0 OD2 C:ASP54 2.0 45.0 1.0 NE2 D:HIS27 2.1 29.1 1.0 OE2 C:GLU58 2.4 47.2 1.0 CG C:ASP54 2.6 44.1 1.0 OD1 C:ASP54 2.7 47.7 1.0 CD2 D:HIS27 3.0 27.4 1.0 CD C:GLU58 3.0 52.3 1.0 CE1 D:HIS27 3.1 27.9 1.0 OE1 C:GLU58 3.5 54.1 1.0 CG C:GLU58 3.9 51.8 1.0 OH D:TYR46 3.9 40.4 1.0 O D:HOH178 4.0 55.6 1.0 CB C:ASP54 4.1 40.7 1.0 CE1 D:HIS39 4.1 33.2 1.0 CG D:HIS27 4.1 36.0 1.0 ND1 D:HIS27 4.2 33.7 1.0 NE2 D:HIS39 4.2 33.1 1.0 OE1 D:GLU43 4.4 48.5 1.0 OE2 D:GLU43 4.5 43.6 1.0 NE1 D:TRP28 4.5 41.8 1.0 CD D:GLU43 4.6 46.8 1.0 CD1 D:TRP28 4.8 38.1 1.0 O C:ASP54 4.9 40.6 1.0

Iron binding site 4 out of 4 in the Dlp-1 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Dlp-1 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe153 b:47.7 occ:1.00 O C:HOH191 1.7 42.0 1.0 OD2 D:ASP54 1.9 40.9 1.0 NE2 C:HIS27 2.0 41.6 1.0 OE2 D:GLU58 2.5 50.4 1.0 CG D:ASP54 2.6 36.7 1.0 OD1 D:ASP54 2.6 38.6 1.0 CD2 C:HIS27 2.9 42.1 1.0 CD D:GLU58 3.1 48.5 1.0 CE1 C:HIS27 3.1 36.5 1.0 OE1 D:GLU58 3.6 52.6 1.0 OH C:TYR46 3.8 43.5 1.0 CG D:GLU58 4.0 46.8 1.0 CB D:ASP54 4.1 35.3 1.0 CG C:HIS27 4.1 41.6 1.0 ND1 C:HIS27 4.2 43.9 1.0 O C:HOH160 4.2 57.2 1.0 CE1 C:HIS39 4.2 33.3 1.0 NE2 C:HIS39 4.3 29.6 1.0 OE1 C:GLU43 4.3 56.1 1.0 OE2 C:GLU43 4.4 56.0 1.0 CD C:GLU43 4.5 53.3 1.0 NE1 C:TRP28 4.6 39.1 1.0 CD1 C:TRP28 4.9 38.9 1.0 O D:ASP54 5.0 34.6 1.0

E.Papinutto, W.G.Dundon, N.Pitulis, R.Battistutta, C.Montecucco, G.Zanotti. Structure of Two Iron-Binding Proteins From Bacillus Anthracis. J.Biol.Chem. V. 277 15093 2002.
ISSN: ISSN 0021-9258
PubMed: 11836250
DOI: 10.1074/JBC.M112378200