Iron in PDB 2gcu: X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580

All present enzymatic activity of X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580:
3.1.2.6;

The structure of X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580, PDB code: 2gcu was solved by J.G.Mccoy, G.E.Wesenberg, G.N.Phillips Jr., E.Bitto, C.A.Bingman, Centerfor Eukaryotic Structural Genomics (Cesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.13 / 1.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.607, 64.469, 127.877, 90.00, 97.83, 90.00
R / Rfree (%)	17.7 / 20.4

The binding sites of Iron atom in the X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580 (pdb code 2gcu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580, PDB code: 2gcu:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:11.8 occ:0.50 NE2 A:HIS72 2.1 9.2 1.0 OD2 A:ASP153 2.1 11.8 1.0 O A:HOH3206 2.1 10.7 1.0 O A:HOH3213 2.2 14.4 1.0 NE2 A:HIS128 2.2 10.4 1.0 O A:HOH3041 2.2 10.9 1.0 CD2 A:HIS72 3.1 9.4 1.0 CE1 A:HIS72 3.1 10.4 1.0 CD2 A:HIS128 3.1 10.7 1.0 CG A:ASP153 3.2 11.4 1.0 CE1 A:HIS128 3.2 10.6 1.0 CB A:ASP153 3.7 11.5 1.0 ND1 A:HIS72 4.2 9.5 1.0 CG A:HIS72 4.2 10.5 1.0 OD1 A:ASP153 4.3 13.7 1.0 O A:HOH3021 4.3 16.9 1.0 CG A:HIS128 4.3 11.1 1.0 ND1 A:HIS128 4.3 11.5 1.0 O A:HOH3069 4.4 30.6 1.0 ND1 A:HIS74 4.4 12.4 1.0 N A:ALA75 4.4 12.1 1.0 CE1 A:HIS194 4.5 13.1 1.0 OD1 A:ASP76 4.5 15.2 1.0 CA A:HIS74 4.6 10.9 1.0 O A:VAL73 4.6 11.4 1.0 OE1 A:GLN166 4.7 14.3 1.0 ND1 A:HIS194 4.9 11.6 1.0 O A:HOH3127 4.9 36.0 1.0

Iron binding site 2 out of 4 in the X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe300 b:12.3 occ:0.50 OD2 B:ASP153 2.0 10.9 1.0 NE2 B:HIS72 2.1 9.9 1.0 O B:HOH2210 2.1 12.7 1.0 O B:HOH2205 2.2 11.5 1.0 NE2 B:HIS128 2.2 11.8 1.0 O B:HOH2214 2.2 11.9 1.0 CE1 B:HIS72 3.1 9.8 1.0 CD2 B:HIS72 3.1 8.8 1.0 CG B:ASP153 3.1 11.7 1.0 CD2 B:HIS128 3.1 10.4 1.0 CE1 B:HIS128 3.2 11.2 1.0 CB B:ASP153 3.7 11.3 1.0 OD1 B:ASP153 4.2 17.1 1.0 ND1 B:HIS72 4.2 10.6 1.0 O B:HOH2115 4.2 32.5 1.0 CG B:HIS72 4.2 11.0 1.0 ND1 B:HIS128 4.3 10.1 1.0 CG B:HIS128 4.3 11.4 1.0 ND1 B:HIS74 4.4 12.3 1.0 O B:HOH2030 4.4 20.0 1.0 N B:ALA75 4.4 13.7 1.0 OD1 B:ASP76 4.5 16.6 1.0 CE1 B:HIS194 4.5 15.5 1.0 OE1 B:GLN166 4.6 14.6 1.0 O B:VAL73 4.6 11.6 1.0 CA B:HIS74 4.6 12.7 1.0 O B:HOH2093 4.9 32.6 1.0 ND1 B:HIS194 4.9 13.4 1.0

Iron binding site 3 out of 4 in the X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe300 b:11.5 occ:0.50 NE2 C:HIS72 2.1 9.2 1.0 OD2 C:ASP153 2.1 10.3 1.0 O C:HOH2268 2.1 12.5 1.0 O C:HOH2220 2.2 9.9 1.0 NE2 C:HIS128 2.3 9.9 1.0 O C:HOH2272 2.3 10.6 1.0 CD2 C:HIS72 3.1 8.6 1.0 CE1 C:HIS72 3.1 11.3 1.0 CD2 C:HIS128 3.2 9.0 1.0 CG C:ASP153 3.2 11.7 1.0 CE1 C:HIS128 3.3 10.7 1.0 CB C:ASP153 3.7 10.8 1.0 ND1 C:HIS72 4.2 9.4 1.0 CG C:HIS72 4.3 10.0 1.0 OD1 C:ASP153 4.3 12.3 1.0 ND1 C:HIS128 4.3 9.6 1.0 CG C:HIS128 4.4 9.4 1.0 O C:HOH2051 4.4 15.2 1.0 N C:ALA75 4.4 11.4 1.0 OD1 C:ASP76 4.4 16.2 1.0 ND1 C:HIS74 4.4 11.0 1.0 O C:HOH2116 4.4 26.4 1.0 CE1 C:HIS194 4.5 13.3 1.0 CA C:HIS74 4.6 10.6 1.0 O C:VAL73 4.6 10.8 1.0 OE1 C:GLN166 4.6 12.4 1.0 ND1 C:HIS194 5.0 11.8 1.0

Iron binding site 4 out of 4 in the X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Structure of Gene Product From Arabidopsis Thaliana AT1G53580 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe300 b:12.8 occ:0.50 OD2 D:ASP153 2.0 12.4 1.0 NE2 D:HIS72 2.1 11.8 1.0 O D:HOH2189 2.2 12.8 1.0 O A:HOH3200 2.2 14.1 1.0 NE2 D:HIS128 2.2 12.2 1.0 O D:HOH2188 2.2 12.6 1.0 CD2 D:HIS72 3.0 11.8 1.0 CE1 D:HIS72 3.1 13.4 1.0 CG D:ASP153 3.1 12.8 1.0 CD2 D:HIS128 3.1 11.7 1.0 CE1 D:HIS128 3.3 11.3 1.0 CB D:ASP153 3.6 13.2 1.0 OD1 D:ASP153 4.2 17.6 1.0 ND1 D:HIS72 4.2 11.1 1.0 CG D:HIS72 4.2 12.3 1.0 CG D:HIS128 4.3 11.0 1.0 ND1 D:HIS128 4.3 9.6 1.0 O2 A:EDO2014 4.4 21.5 1.0 N D:ALA75 4.4 14.3 1.0 ND1 D:HIS74 4.4 14.2 1.0 OD1 D:ASP76 4.5 16.8 1.0 O D:HOH2090 4.5 27.1 1.0 CE1 D:HIS194 4.5 15.4 1.0 O D:VAL73 4.6 14.0 1.0 OE1 D:GLN166 4.6 14.8 1.0 CA D:HIS74 4.6 14.3 1.0 O D:HOH2041 4.7 26.0 1.0 ND1 D:HIS194 5.0 14.5 1.0

J.G.Mccoy, C.A.Bingman, E.Bitto, M.M.Holdorf, C.A.Makaroff, G.N.Phillips. Structure of An ETHE1-Like Protein From Arabidopsis Thaliana. Acta Crystallogr.,Sect.D V. 62 964 2006.
ISSN: ISSN 0907-4449
PubMed: 16929096
DOI: 10.1107/S0907444906020592