Iron in PDB 1moj: Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum

The structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum, PDB code: 1moj was solved by K.Zeth, S.Offermann, L.O.Essen, D.Oesterhelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 1.90
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.747, 90.747, 149.410, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 18.2

The structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum (pdb code 1moj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum, PDB code: 1moj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


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 An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:32.8 occ:1.00 OE1 A:GLU83 2.0 17.4 1.0 O A:HOH354 2.2 18.2 1.0 OD2 A:ASP79 2.2 15.1 1.0 NE2 B:HIS52 2.4 10.0 1.0 OD1 A:ASP79 2.6 15.2 1.0 CG A:ASP79 2.7 15.5 1.0 O B:HOH353 2.9 20.5 1.0 CD A:GLU83 3.0 15.9 1.0 CD2 B:HIS52 3.2 9.9 1.0 CE1 B:HIS52 3.4 8.9 1.0 OE2 A:GLU83 3.6 17.9 1.0 CG A:GLU83 4.1 13.1 1.0 CB A:ASP79 4.2 15.1 1.0 O A:HOH355 4.3 30.1 1.0 CE1 B:HIS64 4.4 14.1 1.0 CG B:HIS52 4.4 10.7 1.0 ND1 B:HIS52 4.5 10.5 1.0 NE2 B:HIS64 4.5 14.0 1.0 CD1 B:TRP53 4.5 8.9 1.0 NE1 B:TRP53 4.6 9.2 1.0 NZ B:LYS49 4.8 22.8 1.0 O A:ASP79 4.9 14.7 1.0

Iron binding site 2 out of 6 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


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 An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe306 b:38.2 occ:1.00 OE2 A:GLU154 2.4 25.1 1.0 OE2 C:GLU154 2.6 25.7 1.0 O C:HOH360 2.9 39.0 1.0 O A:HOH367 2.9 33.2 1.0 CD A:GLU154 3.1 26.1 1.0 OE1 A:GLU154 3.3 29.3 1.0 CD C:GLU154 3.4 25.4 1.0 O A:HOH364 3.5 41.5 1.0 OE1 C:GLU154 3.6 29.3 1.0 NE2 A:HIS150 4.1 18.0 1.0 NE2 C:HIS150 4.3 22.2 1.0 O C:HOH367 4.4 36.5 1.0 CG A:GLU154 4.5 22.3 1.0 CE1 A:HIS150 4.5 19.5 1.0 CE1 C:HIS150 4.6 21.3 1.0 CG C:GLU154 4.8 21.0 1.0

Iron binding site 3 out of 6 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


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 An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:32.9 occ:1.00 OE1 B:GLU83 2.0 26.9 1.0 O B:HOH350 2.0 12.8 1.0 OD2 B:ASP79 2.2 19.9 1.0 NE2 A:HIS52 2.3 17.1 1.0 O B:HOH351 2.5 25.6 1.0 OD1 B:ASP79 2.6 18.0 1.0 CG B:ASP79 2.8 18.0 1.0 CD B:GLU83 3.1 24.7 1.0 CD2 A:HIS52 3.2 15.3 1.0 CE1 A:HIS52 3.3 15.0 1.0 OE2 B:GLU83 3.7 25.6 1.0 CG B:GLU83 4.2 20.7 1.0 CB B:ASP79 4.3 15.0 1.0 CE1 A:HIS64 4.4 17.6 1.0 CG A:HIS52 4.4 14.4 1.0 ND1 A:HIS52 4.4 13.0 1.0 NE2 A:HIS64 4.5 17.7 1.0 CD1 A:TRP53 4.6 14.2 1.0 O B:HOH352 4.7 57.3 1.0 NE1 A:TRP53 4.7 13.0 1.0 NZ A:LYS49 4.7 21.0 1.0 O A:HOH356 4.8 43.4 1.0

Iron binding site 4 out of 6 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


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 An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe305 b:30.7 occ:0.50 OE2 B:GLU154 2.5 32.6 1.0 O B:HOH362 3.0 20.1 1.0 CD B:GLU154 3.3 27.9 1.0 OE1 B:GLU154 3.4 31.4 1.0 O B:HOH378 4.1 19.2 1.0 NE2 B:HIS150 4.3 17.5 1.0 CG B:GLU154 4.7 23.6 1.0 CE1 B:HIS150 4.8 17.4 1.0

Iron binding site 5 out of 6 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe304 b:32.4 occ:1.00 OE1 C:GLU83 2.1 23.1 1.0 NE2 D:HIS52 2.2 12.2 1.0 O C:HOH352 2.3 22.6 1.0 OD2 C:ASP79 2.4 16.6 1.0 OD1 C:ASP79 2.6 16.4 1.0 O C:HOH351 2.6 20.6 1.0 CG C:ASP79 2.8 16.1 1.0 CD2 D:HIS52 3.0 11.4 1.0 CD C:GLU83 3.2 22.6 1.0 CE1 D:HIS52 3.2 12.4 1.0 OE2 C:GLU83 3.8 23.4 1.0 O C:HOH384 4.2 28.4 1.0 CG C:GLU83 4.2 19.6 1.0 CG D:HIS52 4.2 12.9 1.0 CB C:ASP79 4.3 14.6 1.0 ND1 D:HIS52 4.3 12.3 1.0 CE1 D:HIS64 4.4 19.1 1.0 CD1 D:TRP53 4.4 6.1 1.0 NE1 D:TRP53 4.5 9.1 1.0 O D:HOH346 4.5 27.2 1.0 NE2 D:HIS64 4.5 20.4 1.0 NZ D:LYS49 4.6 18.2 1.0

Iron binding site 6 out of 6 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe303 b:34.5 occ:1.00 OE1 D:GLU83 2.0 21.3 1.0 OD2 D:ASP79 2.2 18.3 1.0 NE2 C:HIS52 2.4 10.1 1.0 O D:HOH347 2.5 26.1 1.0 O D:HOH348 2.5 40.1 1.0 OD1 D:ASP79 2.6 15.8 1.0 CG D:ASP79 2.8 15.9 1.0 CD D:GLU83 3.0 20.2 1.0 CD2 C:HIS52 3.3 8.6 1.0 CE1 C:HIS52 3.4 8.8 1.0 OE2 D:GLU83 3.6 23.9 1.0 O C:HOH386 3.9 25.1 1.0 CG D:GLU83 4.1 16.6 1.0 CB D:ASP79 4.3 15.9 1.0 CE1 C:HIS64 4.4 19.0 1.0 NE2 C:HIS64 4.4 19.3 1.0 ND1 C:HIS52 4.5 11.0 1.0 CG C:HIS52 4.5 9.3 1.0 CD1 C:TRP53 4.6 10.1 1.0 NE1 C:TRP53 4.7 9.0 1.0 NZ C:LYS49 4.8 11.7 1.0 O D:HOH349 4.9 27.7 1.0 O D:ASP79 5.0 13.9 1.0

K.Zeth, S.Offermann, L.O.Essen, D.Oesterhelt. Iron-Oxo Clusters Biomineralizing on Protein Surfaces: Structural Analysis of Halobacterium Salinarum Dpsa in Its Low- and High-Iron States. Proc.Natl.Acad.Sci.Usa V. 101 13780 2004.
ISSN: ISSN 0027-8424
PubMed: 15365182
DOI: 10.1073/PNAS.0401821101