Iron in PDB 8bf6: X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - Azotochelin Complex

The structure of X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - Azotochelin Complex, PDB code: 8bf6 was solved by K.S.Wilson, A.-K.Duhme-Klair, E.V.Blagova, A.Miller, R.Booth, E.J.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.84 / 1.97
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	36.295, 116.711, 141.471, 90, 90, 90
R / Rfree (%)	20.5 / 25.5

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

Nickel

(Ni)

5 atoms

The binding sites of Iron atom in the X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - Azotochelin Complex (pdb code 8bf6). 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 - Azotochelin Complex, PDB code: 8bf6:

Iron binding site 1 out of 1 in the X-Ray Structure of the Ceue Homologue From Parageobacillus Thermoglucosidasius - Azotochelin 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 - Azotochelin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:48.2 occ:1.00 HH A:TYR276 1.4 47.7 1.0 OAF A:95B302 2.0 46.2 1.0 OAE A:95B302 2.0 44.0 1.0 OAG A:95B302 2.0 48.0 1.0 OAH A:95B302 2.0 48.1 1.0 OH A:TYR276 2.0 48.6 1.0 NE2 A:HIS215 2.2 50.7 1.0 H2 A:95B302 2.3 46.0 1.0 H22 A:95B302 2.6 30.0 0.0 H21 A:95B302 2.6 30.0 0.0 H1 A:95B302 2.6 30.0 0.0 CAX A:95B302 2.8 46.4 1.0 CAZ A:95B302 2.8 46.5 1.0 CAY A:95B302 2.9 46.8 1.0 CBA A:95B302 2.9 47.5 1.0 CZ A:TYR276 3.1 44.8 1.0 CE1 A:HIS215 3.2 55.9 1.0 CD2 A:HIS215 3.3 54.2 1.0 HE A:ARG105 3.3 44.6 1.0 HE1 A:HIS215 3.3 54.2 1.0 HH11 A:ARG105 3.4 30.0 0.0 HE A:ARG237 3.4 51.6 1.0 HH22 A:ARG237 3.4 51.4 1.0 HD2 A:HIS215 3.4 52.9 1.0 HH12 A:ARG193 3.4 30.0 0.0 HE2 A:TYR276 3.7 43.8 1.0 CE2 A:TYR276 3.8 44.4 1.0 H6 A:95B302 3.8 55.3 1.0 H17 A:95B302 3.8 52.3 1.0 HE1 A:MET85 3.8 65.7 1.0 HE3 A:MET85 3.9 66.0 1.0 HH21 A:ARG193 3.9 43.6 1.0 CE1 A:TYR276 4.1 47.9 1.0 NE A:ARG105 4.1 43.1 1.0 HE1 A:TYR276 4.1 46.8 1.0 CAK A:95B302 4.2 45.5 1.0 NH2 A:ARG237 4.2 50.0 1.0 CE A:MET85 4.2 68.1 1.0 NH1 A:ARG105 4.2 43.5 1.0 NE A:ARG237 4.2 51.4 1.0 CBB A:95B302 4.2 50.3 1.0 HE2 A:MET85 4.2 67.1 1.0 CAL A:95B302 4.2 47.0 1.0 HG23 A:THR214 4.3 51.9 1.0 CBC A:95B302 4.3 51.7 1.0 NH1 A:ARG193 4.3 46.0 1.0 ND1 A:HIS215 4.3 54.5 1.0 H11 A:95B302 4.3 55.0 1.0 CG A:HIS215 4.4 55.0 1.0 H20 A:95B302 4.6 46.0 1.0 CZ A:ARG105 4.6 45.4 1.0 NAS A:95B302 4.6 53.7 1.0 H3 A:95B302 4.6 46.0 1.0 N A:95B302 4.6 54.8 1.0 NH2 A:ARG193 4.6 42.7 1.0 CZ A:ARG237 4.7 56.6 1.0 HH12 A:ARG105 4.8 30.0 0.0 HG2 A:ARG105 4.8 45.5 1.0 HH21 A:ARG237 4.8 52.2 1.0 HG21 A:THR214 4.9 51.8 1.0 HH11 A:ARG193 4.9 30.0 0.0 HG21 A:VAL241 4.9 49.9 1.0 CG2 A:THR214 4.9 52.4 1.0 HG22 A:THR214 4.9 51.1 1.0 CAV A:95B302 4.9 48.7 1.0 CZ A:ARG193 5.0 47.1 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