Iron in PDB 8bj9: X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - 5LICAM Complex.

The structure of X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - 5LICAM Complex., PDB code: 8bj9 was solved by E.V.Blagova, M.Bennett, R.Booth, E.J.Dodson, A.-K.Duhme-Klair, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.83 / 2.07
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	36.063, 117.392, 141.712, 90, 90, 90
R / Rfree (%)	21 / 26.6

The structure of X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - 5LICAM Complex. also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Iron atom in the X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - 5LICAM Complex. (pdb code 8bj9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - 5LICAM Complex., PDB code: 8bj9:

Iron binding site 1 out of 1 in the X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - 5LICAM Complex.


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 the Ceue Homologue From Parageobacillus Thermoglucosidasius - 5LICAM Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:74.8 occ:1.00 HE2 A:HIS215 1.5 30.0 0.0 H23 A:5LC302 1.5 66.8 1.0 O24 A:5LC302 2.0 63.7 1.0 O23 A:5LC302 2.0 67.5 1.0 O26 A:5LC302 2.0 72.1 1.0 O25 A:5LC302 2.0 76.6 1.0 OH A:TYR276 2.0 81.4 1.0 HH A:TYR276 2.1 30.0 0.0 NE2 A:HIS215 2.3 83.4 1.0 H26 A:5LC302 2.4 71.9 1.0 H24 A:5LC302 2.6 30.0 0.0 H25 A:5LC302 2.6 30.0 0.0 HE1 A:HIS215 2.8 80.7 1.0 C18 A:5LC302 2.8 66.8 1.0 C19 A:5LC302 2.8 66.3 1.0 C2 A:5LC302 2.8 72.0 1.0 C3 A:5LC302 2.9 77.5 1.0 CE1 A:HIS215 2.9 81.9 1.0 CZ A:TYR276 3.0 73.5 1.0 HE A:ARG105 3.2 68.3 1.0 HE A:ARG237 3.4 81.7 1.0 HH12 A:ARG193 3.5 30.0 0.0 HH11 A:ARG105 3.5 30.0 0.0 CD2 A:HIS215 3.5 86.4 1.0 HH22 A:ARG237 3.6 79.5 1.0 HE2 A:TYR276 3.6 73.2 1.0 H14 A:5LC302 3.7 76.0 1.0 CE2 A:TYR276 3.7 75.2 1.0 HD2 A:HIS215 3.9 84.8 1.0 H8 A:5LC302 3.9 82.6 1.0 HE3 A:MET85 3.9 83.3 1.0 CE1 A:TYR276 3.9 77.1 1.0 HE1 A:TYR276 3.9 76.3 1.0 HE2 A:MET85 4.0 84.6 1.0 H121 A:5LC302 4.0 83.9 1.0 HH21 A:ARG193 4.0 75.0 1.0 HE1 A:MET85 4.0 82.3 1.0 NE A:ARG105 4.0 69.8 1.0 ND1 A:HIS215 4.1 80.7 1.0 CE A:MET85 4.2 84.4 1.0 C1 A:5LC302 4.2 72.9 1.0 C20 A:5LC302 4.2 65.0 1.0 C16 A:5LC302 4.2 70.0 1.0 NH1 A:ARG105 4.2 62.8 1.0 NE A:ARG237 4.2 83.4 1.0 C4 A:5LC302 4.2 75.4 1.0 NH1 A:ARG193 4.3 77.0 1.0 NH2 A:ARG237 4.4 79.6 1.0 CG A:HIS215 4.4 83.2 1.0 N14 A:5LC302 4.5 76.7 1.0 CZ A:ARG105 4.6 64.5 1.0 H1 A:5LC302 4.6 71.2 1.0 H20 A:5LC302 4.6 64.6 1.0 N8 A:5LC302 4.7 83.0 1.0 NH2 A:ARG193 4.7 75.1 1.0 HG21 A:VAL241 4.8 77.6 1.0 CZ A:ARG237 4.8 82.8 1.0 HD1 A:HIS215 4.8 30.0 0.0 HH11 A:ARG193 4.9 30.0 0.0 HH12 A:ARG105 4.9 30.0 0.0 C15 A:5LC302 4.9 73.6 1.0 C12 A:5LC302 4.9 84.4 1.0 C7 A:5LC302 5.0 84.5 1.0 HD2 A:ARG237 5.0 85.1 1.0 CD2 A:TYR276 5.0 71.8 1.0 HG2 A:ARG105 5.0 63.0 1.0 HD3 A:ARG105 5.0 64.7 1.0

E.V.Blagova, A.Miller, M.Bennett, R.Booth, E.J.Dodson, A.-K.Duhme-Klair, K.S.Wilson. Thermostable Homologues of the Periplasmic Siderophore-Binding Protein Ceue From and Acta Crystallogr.,Sect.D 2023.
ISSN: ESSN 1399-0047