Iron in PDB 2q4a: Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360

The structure of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360, PDB code: 2q4a was solved by E.J.Levin, D.A.Kondrashov, G.E.Wesenberg, G.N.Phillips Jr., Center Foreukaryotic Structural Genomics (Cesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.63 / 2.39
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	145.276, 61.094, 114.681, 90.00, 121.68, 90.00
R / Rfree (%)	17.1 / 23.5

The binding sites of Iron atom in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360 (pdb code 2q4a). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360, PDB code: 2q4a:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:34.7 occ:0.25 NE2 A:HIS313 2.0 1.2 0.2 O A:HOH1131 2.4 38.7 0.2 NE2 A:HIS120 2.4 19.9 0.2 CE1 A:HIS313 2.9 4.6 0.2 CE1 A:HIS120 3.0 19.9 0.2 O A:HOH1175 3.1 46.6 0.2 CD2 A:HIS313 3.1 2.5 0.2 OE2 A:GLU122 3.2 22.8 0.2 OE1 A:GLU122 3.3 18.7 0.2 CD A:GLU122 3.5 17.7 0.2 CD2 A:HIS120 3.6 22.0 0.2 ND1 A:HIS313 4.0 7.2 0.2 CG A:HIS313 4.2 4.9 0.2 O A:HOH1133 4.2 39.9 0.2 ND1 A:HIS120 4.3 22.4 0.2 O A:HOH1132 4.5 32.9 0.2 O A:HOH1206 4.5 56.9 0.2 CG A:HIS120 4.6 22.2 0.2 CG A:GLU122 4.7 16.0 0.2 CA A:GLU122 4.8 12.8 0.2 CB A:GLU122 4.8 14.1 0.2 O1 A:SO4801 4.9 75.8 0.2

Iron binding site 2 out of 2 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe902 b:26.6 occ:0.25 O B:HOH1180 2.1 16.4 0.2 NE2 B:HIS313 2.3 11.8 0.2 O B:HOH1179 2.4 23.6 0.2 NE2 B:HIS120 2.6 7.8 0.2 CE1 B:HIS120 2.7 10.6 0.2 OE1 B:GLU122 2.8 18.6 0.2 CD2 B:HIS313 3.0 11.9 0.2 CE1 B:HIS313 3.3 11.0 0.2 O B:HOH1181 3.7 49.5 0.2 CD B:GLU122 3.7 17.0 0.2 CD2 B:HIS120 3.9 6.6 0.2 OE2 B:GLU122 4.0 18.9 0.2 ND1 B:HIS120 4.1 11.1 0.2 CG B:HIS313 4.2 13.4 0.2 ND1 B:HIS313 4.3 10.8 0.2 O B:HOH1190 4.3 29.7 0.2 CG B:HIS120 4.7 6.3 0.2

E.J.Levin, D.A.Kondrashov, G.E.Wesenberg, G.N.Phillips. Ensemble Refinement of Protein Crystal Structures: Validation and Application. Structure V. 15 1040 2007.
ISSN: ISSN 0969-2126
PubMed: 17850744
DOI: 10.1016/J.STR.2007.06.019