Iron in PDB 1jig: Dlp-2 From Bacillus Anthracis

The structure of Dlp-2 From Bacillus Anthracis, PDB code: 1jig 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)	71.63 / 1.46
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	87.723, 87.723, 214.875, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 20.6

The binding sites of Iron atom in the Dlp-2 From Bacillus Anthracis (pdb code 1jig). 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-2 From Bacillus Anthracis, PDB code: 1jig:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Dlp-2 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-2 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:7.9 occ:1.00 OE1 A:GLU60 2.0 12.8 1.0 OD2 A:ASP56 2.0 8.5 1.0 O A:HOH481 2.1 8.8 1.0 NE2 B:HIS29 2.1 8.6 1.0 CG A:ASP56 2.7 7.3 1.0 OD1 A:ASP56 2.7 7.2 1.0 CD A:GLU60 2.8 13.1 1.0 CD2 B:HIS29 3.0 8.3 1.0 CE1 B:HIS29 3.1 7.3 1.0 OE2 A:GLU60 3.2 11.8 1.0 CE1 B:HIS41 4.0 12.1 1.0 NE2 B:HIS41 4.0 11.9 1.0 CG A:GLU60 4.0 10.8 1.0 O A:HOH437 4.1 22.3 1.0 O B:HOH444 4.1 17.6 1.0 CB A:ASP56 4.1 4.7 1.0 ND1 B:HIS29 4.2 8.1 1.0 CG B:HIS29 4.2 6.4 1.0 CG B:GLU45 4.4 20.0 1.0 O B:HOH438 4.5 22.3 1.0 NE1 B:TRP30 4.7 6.5 1.0 OE1 B:GLU45 4.9 24.0 1.0 CD1 B:TRP30 4.9 5.9 1.0 O A:ASP56 4.9 7.3 1.0

Iron binding site 2 out of 4 in the Dlp-2 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-2 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:7.5 occ:1.00 OE1 B:GLU60 2.0 12.0 1.0 OD2 B:ASP56 2.0 8.9 1.0 NE2 A:HIS29 2.1 8.2 1.0 O B:HOH486 2.2 7.4 1.0 CG B:ASP56 2.6 8.0 1.0 OD1 B:ASP56 2.7 7.7 1.0 CD B:GLU60 2.8 11.3 1.0 CD2 A:HIS29 3.0 7.5 1.0 CE1 A:HIS29 3.1 7.2 1.0 OE2 B:GLU60 3.2 10.2 1.0 CE1 A:HIS41 4.0 11.7 1.0 NE2 A:HIS41 4.0 10.9 1.0 O B:HOH439 4.0 20.6 1.0 CG B:GLU60 4.0 8.9 1.0 O A:HOH440 4.1 14.4 1.0 CB B:ASP56 4.1 4.9 1.0 ND1 A:HIS29 4.2 7.8 1.0 CG A:HIS29 4.2 6.3 1.0 CG A:GLU45 4.4 19.2 1.0 O A:HOH431 4.5 25.6 1.0 NE1 A:TRP30 4.7 6.8 1.0 CD1 A:TRP30 4.9 6.4 1.0 OE1 A:GLU45 4.9 22.0 1.0 O B:ASP56 4.9 7.2 1.0

Iron binding site 3 out of 4 in the Dlp-2 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-2 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe404 b:7.6 occ:1.00 OE1 C:GLU60 2.0 13.3 1.0 OD2 C:ASP56 2.0 8.9 1.0 O C:HOH477 2.0 11.7 1.0 NE2 D:HIS29 2.1 7.2 1.0 CG C:ASP56 2.7 7.1 1.0 OD1 C:ASP56 2.7 8.1 1.0 CD C:GLU60 2.8 12.0 1.0 O C:HOH476 2.9 31.9 1.0 CD2 D:HIS29 3.0 7.1 1.0 CE1 D:HIS29 3.1 7.0 1.0 OE2 C:GLU60 3.2 11.7 1.0 CE1 D:HIS41 4.0 11.5 1.0 O D:HOH447 4.0 15.3 1.0 NE2 D:HIS41 4.0 10.0 1.0 CG C:GLU60 4.0 9.8 1.0 CB C:ASP56 4.1 5.2 1.0 O D:HOH435 4.2 23.8 1.0 ND1 D:HIS29 4.2 7.1 1.0 CG D:HIS29 4.2 6.2 1.0 CG D:GLU45 4.4 19.7 1.0 NE1 D:TRP30 4.7 7.8 1.0 O D:HOH479 4.8 18.7 1.0 CD1 D:TRP30 4.9 6.8 1.0 OE1 D:GLU45 4.9 22.7 1.0 O C:ASP56 4.9 6.7 1.0

Iron binding site 4 out of 4 in the Dlp-2 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-2 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe403 b:6.8 occ:1.00 OE1 D:GLU60 2.0 13.4 1.0 OD2 D:ASP56 2.0 8.4 1.0 NE2 C:HIS29 2.1 8.4 1.0 O D:HOH480 2.2 8.0 1.0 CG D:ASP56 2.6 7.8 1.0 OD1 D:ASP56 2.7 8.3 1.0 CD D:GLU60 2.8 12.8 1.0 CD2 C:HIS29 3.0 8.7 1.0 CE1 C:HIS29 3.1 7.6 1.0 OE2 D:GLU60 3.2 11.1 1.0 CE1 C:HIS41 4.0 10.9 1.0 O C:HOH443 4.0 14.3 1.0 NE2 C:HIS41 4.0 10.5 1.0 CG D:GLU60 4.0 10.6 1.0 CB D:ASP56 4.1 5.2 1.0 ND1 C:HIS29 4.2 7.1 1.0 CG C:HIS29 4.2 7.0 1.0 CG C:GLU45 4.4 18.6 1.0 O C:HOH437 4.5 29.8 1.0 NE1 C:TRP30 4.7 7.2 1.0 O C:HOH435 4.8 22.4 1.0 OE1 C:GLU45 4.9 21.3 1.0 CD1 C:TRP30 4.9 8.0 1.0 O D:ASP56 4.9 7.0 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