Iron in PDB 5nhk: Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron

The structure of Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron, PDB code: 5nhk was solved by J.Perard, L.Arnaud, P.Carpentier, I.Michaud-Soret, C.Cavazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.21 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.350, 90.040, 64.050, 90.00, 93.53, 90.00
R / Rfree (%)	20.4 / 24.3

The structure of Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Iron atom in the Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron (pdb code 5nhk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron, PDB code: 5nhk:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.6 occ:1.00 OE2 A:GLU101 2.1 21.2 1.0 NE2 A:HIS90 2.2 11.3 1.0 OE2 A:GLU81 2.2 13.7 1.0 NE2 A:HIS33 2.2 14.8 1.0 NE2 A:HIS88 2.3 23.2 1.0 OE1 A:GLU81 2.4 15.3 1.0 CD A:GLU81 2.6 12.2 1.0 CD A:GLU101 3.1 22.1 1.0 CD2 A:HIS90 3.1 10.7 1.0 CE1 A:HIS90 3.2 12.2 1.0 CE1 A:HIS33 3.2 18.9 1.0 CD2 A:HIS88 3.2 15.1 1.0 CD2 A:HIS33 3.2 18.2 1.0 CE1 A:HIS88 3.3 20.4 1.0 CG A:GLU101 3.5 15.9 1.0 CG A:GLU81 4.1 12.2 1.0 OE1 A:GLU101 4.2 24.4 1.0 ND1 A:HIS90 4.3 7.2 1.0 CG A:HIS90 4.3 11.7 1.0 ND1 A:HIS33 4.3 17.1 1.0 CG A:HIS33 4.3 15.5 1.0 CG A:HIS88 4.4 16.0 1.0 ND1 A:HIS88 4.4 20.3 1.0 O A:HOH332 4.6 36.1 1.0 CB A:GLU81 4.7 12.7 1.0 O A:HOH378 4.9 37.7 1.0 CB A:GLU101 4.9 15.8 1.0

Iron binding site 2 out of 4 in the Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:16.6 occ:1.00 OE2 B:GLU81 2.1 15.5 1.0 OE2 B:GLU101 2.2 20.0 1.0 NE2 B:HIS90 2.2 14.8 1.0 OE1 B:GLU81 2.2 17.9 1.0 NE2 B:HIS88 2.2 18.7 1.0 NE2 B:HIS33 2.3 15.4 1.0 CD B:GLU81 2.4 14.9 1.0 CE1 B:HIS90 3.1 10.8 1.0 CD2 B:HIS88 3.1 18.8 1.0 CD B:GLU101 3.2 22.2 1.0 CD2 B:HIS33 3.2 21.9 1.0 CD2 B:HIS90 3.2 13.9 1.0 CE1 B:HIS33 3.2 16.1 1.0 CE1 B:HIS88 3.3 18.4 1.0 CG B:GLU101 3.6 17.4 1.0 CG B:GLU81 3.9 16.5 1.0 OE1 B:GLU101 4.2 20.7 1.0 ND1 B:HIS90 4.2 9.7 1.0 CG B:HIS88 4.3 14.4 1.0 CG B:HIS90 4.3 10.5 1.0 ND1 B:HIS33 4.4 17.0 1.0 ND1 B:HIS88 4.4 20.3 1.0 CG B:HIS33 4.4 14.9 1.0 CB B:GLU81 4.6 18.1 1.0 O B:HOH322 4.6 36.3 1.0 O B:HOH319 4.9 32.1 1.0 CB B:GLU101 4.9 19.6 1.0

Iron binding site 3 out of 4 in the Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:14.0 occ:1.00 OE2 C:GLU101 2.0 18.4 1.0 NE2 C:HIS90 2.1 10.5 1.0 NE2 C:HIS33 2.2 13.4 1.0 OE2 C:GLU81 2.2 15.1 1.0 NE2 C:HIS88 2.3 15.6 1.0 OE1 C:GLU81 2.3 14.6 1.0 CD C:GLU81 2.5 18.1 1.0 CD C:GLU101 3.0 20.5 1.0 CE1 C:HIS90 3.0 9.9 1.0 CE1 C:HIS33 3.1 18.8 1.0 CD2 C:HIS88 3.2 14.1 1.0 CD2 C:HIS90 3.2 9.5 1.0 CD2 C:HIS33 3.2 13.3 1.0 CE1 C:HIS88 3.2 20.9 1.0 CG C:GLU101 3.5 18.0 1.0 OE1 C:GLU101 4.0 18.9 1.0 CG C:GLU81 4.0 12.0 1.0 ND1 C:HIS90 4.2 9.0 1.0 ND1 C:HIS33 4.2 22.7 1.0 CG C:HIS90 4.3 9.5 1.0 CG C:HIS33 4.3 19.2 1.0 ND1 C:HIS88 4.3 16.5 1.0 CG C:HIS88 4.3 14.7 1.0 O C:HOH319 4.5 25.5 1.0 O C:HOH397 4.6 34.1 1.0 CB C:GLU81 4.7 15.6 1.0 CB C:GLU101 4.8 15.4 1.0 CD2 C:LEU71 4.9 27.4 1.0

Iron binding site 4 out of 4 in the Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Ferric Uptake Regulator From Francisella Tularensis with Iron within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:12.4 occ:1.00 OE2 D:GLU101 2.1 16.5 1.0 NE2 D:HIS90 2.1 12.5 1.0 NE2 D:HIS88 2.2 12.5 1.0 OE2 D:GLU81 2.2 12.2 1.0 NE2 D:HIS33 2.2 13.2 1.0 OE1 D:GLU81 2.3 16.6 1.0 CD D:GLU81 2.5 12.6 1.0 CE1 D:HIS33 3.0 17.7 1.0 CD D:GLU101 3.0 18.4 1.0 CE1 D:HIS90 3.1 10.6 1.0 CE1 D:HIS88 3.1 20.1 1.0 CD2 D:HIS90 3.2 13.2 1.0 CD2 D:HIS88 3.2 10.3 1.0 CD2 D:HIS33 3.4 13.3 1.0 CG D:GLU101 3.4 10.8 1.0 CG D:GLU81 4.0 11.8 1.0 OE1 D:GLU101 4.1 17.6 1.0 ND1 D:HIS33 4.2 22.1 1.0 ND1 D:HIS90 4.2 12.0 1.0 ND1 D:HIS88 4.3 16.7 1.0 CG D:HIS90 4.3 9.8 1.0 CG D:HIS88 4.3 13.6 1.0 CG D:HIS33 4.4 17.6 1.0 CE D:LYS32 4.4 16.5 1.0 O D:HOH345 4.5 19.6 1.0 CB D:GLU81 4.7 12.2 1.0 CD D:LYS32 4.7 24.6 1.0 CB D:GLU101 4.8 10.9 1.0 NZ D:LYS32 4.9 19.8 1.0

J.Perard, S.Nader, M.Levert, L.Arnaud, P.Carpentier, C.Siebert, F.Blanquet, C.Cavazza, P.Renesto, D.Schneider, M.Maurin, J.Coves, S.Crouzy, I.Michaud-Soret. Structural and Functional Studies of the Metalloregulator Fur Identify A Promoter-Binding Mechanism and Its Role Infrancisella Tularensisvirulence. Commun Biol V. 1 93 2018.
ISSN: ESSN 2399-3642
PubMed: 30271974
DOI: 10.1038/S42003-018-0095-6