Iron in PDB 2c6r: Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans

The structure of Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans, PDB code: 2c6r was solved by M.G.Cuypers, C.V.Romao, E.Mitchell, S.Mcsweeney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.09 / 2.1
Space group	P 2 3
Cell size a, b, c (Å), α, β, γ (°)	88.965, 88.965, 88.965, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / n/a

The structure of Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans (pdb code 2c6r). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans, PDB code: 2c6r:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1207 b:32.3 occ:1.00 OE2 A:GLU101 2.1 29.5 1.0 O A:HOH2052 2.2 24.1 1.0 O A:HOH2057 2.3 25.8 1.0 OD2 A:ASP97 2.4 28.2 1.0 OD1 A:ASP97 2.4 29.7 1.0 CG A:ASP97 2.7 26.3 1.0 CD A:GLU101 3.0 26.6 1.0 OE1 A:GLU101 3.4 27.9 1.0 O A:HOH2051 4.2 42.0 1.0 CB A:ASP97 4.2 24.2 1.0 CG A:GLU101 4.2 26.6 1.0 O A:HOH2026 4.3 40.0 1.0 O A:HOH2055 4.3 31.6 1.0 O A:ASP97 4.9 22.7 1.0

Iron binding site 2 out of 5 in the Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1208 b:52.2 occ:1.00 O A:HOH2051 2.1 42.0 1.0 O A:HOH2054 2.3 39.7 1.0 O A:HOH2049 2.3 33.6 1.0 OD1 A:ASP98 2.4 31.3 1.0 O A:HOH2025 2.4 48.3 1.0 O A:HOH2050 2.5 43.8 1.0 CG A:ASP98 3.3 28.4 1.0 OD2 A:ASP98 3.6 31.6 1.0 O A:HOH2056 4.2 31.1 1.0 OD2 A:ASP97 4.2 28.2 1.0 O A:LYS94 4.3 25.1 1.0 CB A:ASP98 4.7 24.8 1.0 CG A:LYS94 4.7 30.4 1.0 N A:ASP98 4.7 23.8 1.0 NZ A:LYS94 4.8 41.3 1.0 CA A:ASP98 4.8 25.1 1.0 O A:HOH2026 4.9 40.0 1.0 CL A:CL1212 4.9 51.2 1.0

Iron binding site 3 out of 5 in the Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1209 b:56.6 occ:1.00 OD2 A:ASP193 2.5 52.1 1.0 OD1 A:ASN195 3.0 51.0 1.0 CG A:ASP193 3.4 51.6 1.0 CB A:ASP193 4.0 51.4 1.0 CG A:ASN195 4.1 51.4 1.0 OD1 A:ASP193 4.2 52.9 1.0 ND2 A:ASN195 4.5 50.3 1.0 O A:HOH2129 4.9 40.9 1.0

Iron binding site 4 out of 5 in the Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1210 b:68.7 occ:0.33 OE2 A:GLU171 2.1 51.2 1.0 CD A:GLU171 3.3 46.0 1.0 O A:HOH2112 3.3 64.7 1.0 CG A:GLU171 4.0 36.5 1.0 OD1 A:ASN167 4.2 40.7 1.0 OE1 A:GLU171 4.3 49.6 1.0 ND2 A:ASN167 4.3 38.4 1.0 CG A:ASN167 4.7 34.5 1.0

Iron binding site 5 out of 5 in the Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fe-Soaked Crystal Structure of the DPS92 From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1211 b:0.5 occ:1.00 O A:HOH2039 2.3 59.7 1.0 OD1 A:ASP87 2.5 33.5 1.0 O A:HOH2032 2.6 42.3 1.0 O A:HOH2045 3.1 52.5 1.0 CG A:ASP87 3.6 29.5 1.0 OD2 A:ASP87 4.1 34.4 1.0 O A:HOH2035 4.3 63.0 1.0 OE1 A:GLU90 4.5 34.6 1.0 OE2 A:GLU90 4.6 37.1 1.0 CG A:GLN86 4.7 23.2 1.0 CB A:ASP87 4.8 24.1 1.0 CD A:GLU90 4.8 27.2 1.0 N A:ASP87 4.8 22.1 1.0 CA A:ASP87 4.9 23.1 1.0 O A:GLU83 4.9 22.8 1.0

M.G.Cuypers, E.P.Mitchell, C.V.Romao, S.M.Mcsweeney. The Crystal Structure of the DPS2 From Deinococcus Radiodurans Reveals An Unusual Pore Profile with A Non-Specific Metal Binding Site. J.Mol.Biol. V. 371 787 2007.
ISSN: ISSN 0022-2836
PubMed: 17583727
DOI: 10.1016/J.JMB.2006.11.032