Iron in PDB 8bax: X-Ray Structure of the Ceue Homologue From Geobacillus Stearothermophilus - Azotochelin Complex.

The structure of X-Ray Structure of the Ceue Homologue From Geobacillus Stearothermophilus - Azotochelin Complex., PDB code: 8bax was solved by E.V.Blagova, A.Miller, E.J.Dodson, R.Booth, 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)	58.60 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.158, 66.652, 117.055, 90, 90, 90
R / Rfree (%)	21.4 / 26.2

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

Iron binding site 1 out of 1 in the X-Ray Structure of the Ceue Homologue From Geobacillus Stearothermophilus - 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 Geobacillus Stearothermophilus - Azotochelin Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:23.7 occ:1.00 HE2 A:HIS218 1.5 25.4 1.0 OH A:TYR279 2.0 30.1 1.0 OAG A:95B402 2.0 23.1 1.0 OAF A:95B402 2.0 22.5 1.0 OAH A:95B402 2.0 22.7 1.0 OAE A:95B402 2.0 22.0 1.0 HH12 A:ARG109 2.1 42.8 0.0 NE2 A:HIS218 2.2 27.2 1.0 H2 A:95B402 2.4 21.4 1.0 HH A:TYR279 2.4 26.7 1.0 H22 A:95B402 2.6 22.9 0.0 H1 A:95B402 2.7 20.2 0.0 H21 A:95B402 2.7 19.2 0.0 CAY A:95B402 2.8 21.8 1.0 CAX A:95B402 2.8 22.0 1.0 CAZ A:95B402 2.8 20.3 1.0 CBA A:95B402 2.9 19.8 1.0 NH1 A:ARG109 3.0 40.7 0.5 CZ A:TYR279 3.0 33.7 1.0 CE1 A:HIS218 3.2 26.5 1.0 HH22 A:ARG240 3.3 25.8 1.0 CD2 A:HIS218 3.3 25.5 1.0 HE1 A:HIS218 3.3 26.1 1.0 HH12 A:ARG195 3.4 22.7 0.0 HH22 A:ARG109 3.4 18.7 0.5 HE A:ARG109 3.4 20.8 0.5 HH11 A:ARG109 3.4 42.8 0.0 HE A:ARG240 3.5 25.5 1.0 HD2 A:HIS218 3.5 22.9 1.0 HH21 A:ARG109 3.5 26.0 0.5 HE2 A:TYR279 3.6 24.5 1.0 CE2 A:TYR279 3.7 27.4 1.0 HE3 A:MET89 3.7 32.0 1.0 H17 A:95B402 3.8 25.9 1.0 H6 A:95B402 3.8 26.2 1.0 CZ A:ARG109 3.9 33.3 0.5 CE1 A:TYR279 4.0 28.4 1.0 HE1 A:TYR279 4.0 25.5 1.0 NH2 A:ARG109 4.1 25.6 0.5 NH2 A:ARG240 4.1 23.0 1.0 CAL A:95B402 4.1 25.4 1.0 HH21 A:ARG195 4.2 21.6 1.0 NE A:ARG109 4.2 21.3 0.5 CAK A:95B402 4.2 23.5 1.0 CBB A:95B402 4.2 22.4 1.0 NH2 A:ARG109 4.2 19.5 0.5 NH1 A:ARG195 4.2 26.5 1.0 CBC A:95B402 4.2 25.6 1.0 HE1 A:MET89 4.2 32.0 1.0 NE A:ARG240 4.3 26.3 1.0 CE A:MET89 4.3 31.4 1.0 HE2 A:MET89 4.3 32.2 1.0 ND1 A:HIS218 4.3 27.8 1.0 H11 A:95B402 4.3 27.5 1.0 CG A:HIS218 4.4 25.9 1.0 H3 A:95B402 4.5 24.0 1.0 NAS A:95B402 4.6 27.0 1.0 H20 A:95B402 4.6 22.9 1.0 HB2 A:PRO217 4.6 24.8 1.0 N A:95B402 4.6 24.4 1.0 HG2 A:ARG109 4.6 20.4 0.5 CZ A:ARG109 4.7 18.8 0.5 CZ A:ARG240 4.7 29.4 1.0 HG2 A:ARG109 4.7 26.5 0.5 NH2 A:ARG195 4.7 25.4 1.0 HH21 A:ARG240 4.8 23.8 1.0 HH11 A:ARG195 4.8 22.7 0.0 HG21 A:VAL244 4.9 25.3 1.0 HH22 A:ARG109 4.9 25.7 0.5 HH21 A:ARG109 4.9 18.5 0.5 CAV A:95B402 4.9 30.3 1.0 CD2 A:TYR279 5.0 25.3 1.0 CZ A:ARG195 5.0 21.3 1.0 CAW A:95B402 5.0 28.5 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