Iron in PDB 9jeu: Crystal Structure of A Cupin Protein (TM1459) in Iron (Fe) Substituted Form

The structure of Crystal Structure of A Cupin Protein (TM1459) in Iron (Fe) Substituted Form, PDB code: 9jeu was solved by N.Fujieda, H.Ichihashi, G.Kurisu, S.Itoh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.498, 57.596, 74.658, 90, 90, 90
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Crystal Structure of A Cupin Protein (TM1459) in Iron (Fe) Substituted Form (pdb code 9jeu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of A Cupin Protein (TM1459) in Iron (Fe) Substituted Form, PDB code: 9jeu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Cupin Protein (TM1459) in Iron (Fe) Substituted Form


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 A Cupin Protein (TM1459) in Iron (Fe) Substituted Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1201 b:20.3 occ:0.67 O A:HOH1361 1.8 26.9 1.0 O A:HOH1362 2.0 26.3 1.0 NE2 A:HIS54 2.1 19.2 0.6 NE2 A:HIS58 2.1 16.6 0.5 NE2 A:HIS92 2.2 22.9 1.0 NE2 A:HIS52 2.3 25.8 1.0 HD1 A:HIS54 2.7 38.6 0.4 NE2 A:HIS58 2.7 21.5 0.5 HE1 A:HIS54 2.8 25.2 0.4 CE1 A:HIS92 3.0 21.2 1.0 CE1 A:HIS58 3.0 19.9 0.5 CE1 A:HIS54 3.0 18.4 0.6 CE1 A:HIS58 3.1 23.5 0.5 HE1 A:HIS92 3.1 25.4 1.0 ND1 A:HIS54 3.1 21.6 0.4 CE1 A:HIS52 3.2 25.8 1.0 CD2 A:HIS54 3.2 17.8 0.6 HE1 A:HIS58 3.2 23.8 0.5 CD2 A:HIS58 3.2 17.8 0.5 HE1 A:HIS54 3.2 22.1 0.6 HE1 A:HIS58 3.2 16.3 0.5 CE1 A:HIS54 3.2 23.6 0.4 CD2 A:HIS92 3.3 20.9 1.0 HE1 A:HIS52 3.3 31.0 1.0 CD2 A:HIS52 3.3 26.6 1.0 HD2 A:HIS54 3.4 21.3 0.6 HD2 A:HIS58 3.4 21.4 0.5 O A:HOH1367 3.5 47.8 0.5 HD2 A:HIS92 3.5 25.1 1.0 CD2 A:HIS58 3.5 19.2 0.5 HD2 A:HIS52 3.5 31.9 1.0 HD2 A:HIS58 3.9 32.4 0.5 ND1 A:HIS58 3.9 19.3 0.5 CG A:HIS58 4.2 15.8 0.5 O A:HOH1384 4.2 21.7 1.0 ND1 A:HIS92 4.2 19.1 1.0 ND1 A:HIS58 4.2 18.5 0.5 ND1 A:HIS54 4.2 20.5 0.6 CG A:HIS54 4.3 17.3 0.6 ND1 A:HIS52 4.3 24.7 1.0 CG A:HIS58 4.3 16.8 0.5 CG A:HIS92 4.3 20.6 1.0 CG A:HIS54 4.4 17.3 0.4 CG A:HIS52 4.4 23.0 1.0 HE2 A:PHE94 4.4 27.4 1.0 NE2 A:HIS54 4.5 23.7 0.4 HD1 A:HIS58 4.5 15.9 0.5 HB2 A:HIS54 4.7 5.9 0.4 HE1 A:TRP56 4.9 20.3 1.0 HD1 A:HIS92 4.9 22.9 1.0 HD1 A:HIS58 5.0 22.2 0.5 HD1 A:HIS54 5.0 24.6 0.6

Iron binding site 2 out of 2 in the Crystal Structure of A Cupin Protein (TM1459) in Iron (Fe) Substituted Form


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 A Cupin Protein (TM1459) in Iron (Fe) Substituted Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2201 b:19.0 occ:0.71 O B:HOH2368 2.0 27.1 1.0 NE2 B:HIS54 2.0 26.4 1.0 NE2 B:HIS58 2.1 22.7 0.5 NE2 B:HIS58 2.1 23.8 0.5 O B:HOH2352 2.2 28.1 1.0 NE2 B:HIS92 2.2 21.1 1.0 NE2 B:HIS52 2.2 24.4 1.0 CE1 B:HIS54 2.9 30.1 1.0 CE1 B:HIS58 3.0 22.7 0.5 CE1 B:HIS92 3.0 18.2 1.0 HE1 B:HIS54 3.1 167.9 1.0 CE1 B:HIS58 3.1 22.8 0.5 CD2 B:HIS54 3.1 29.2 1.0 HE1 B:HIS92 3.1 21.9 1.0 CD2 B:HIS58 3.1 22.6 0.5 HE1 B:HIS58 3.1 16.3 0.5 CE1 B:HIS52 3.1 24.2 1.0 CD2 B:HIS58 3.1 23.3 0.5 CD2 B:HIS92 3.2 20.3 1.0 CD2 B:HIS52 3.3 25.7 1.0 HE1 B:HIS58 3.3 27.4 0.5 HE1 B:HIS52 3.3 29.0 1.0 HD2 B:HIS58 3.3 27.9 0.5 HD2 B:HIS54 3.3 25.6 1.0 HD2 B:HIS58 3.4 40.3 0.5 HD2 B:HIS52 3.4 30.9 1.0 HD2 B:HIS92 3.5 24.3 1.0 ND1 B:HIS54 4.1 29.9 1.0 ND1 B:HIS58 4.1 23.3 0.5 CG B:HIS54 4.2 26.8 1.0 ND1 B:HIS92 4.2 17.5 1.0 ND1 B:HIS58 4.2 21.9 0.5 CG B:HIS58 4.2 21.2 0.5 ND1 B:HIS52 4.3 23.1 1.0 HE2 B:PHE94 4.3 22.9 1.0 CG B:HIS58 4.3 22.2 0.5 O B:HOH2374 4.3 28.4 1.0 CG B:HIS92 4.3 17.8 1.0 CG B:HIS52 4.4 21.8 1.0 HD1 B:HIS54 4.8 26.7 1.0 HD1 B:HIS58 4.9 47.7 0.5 HD1 B:HIS92 4.9 21.0 1.0 HD1 B:HIS58 5.0 26.3 0.5

N.Fujieda, K.I.Ishihama, H.Ichihashi, S.Yanagisawa, G.Kurisu, S.Itoh. Unusual Self-Hydroxylation in 4-Histidine Tetrad-Supporting Nonheme Iron Center. Chem Asian J 01191 2025.
ISSN: ESSN 1861-471X
PubMed: 40260495
DOI: 10.1002/ASIA.202401191