Iron in PDB 7u6g: Structure of Pqs Response Protein Pqse(E182W,E280A) Variant

The structure of Structure of Pqs Response Protein Pqse(E182W,E280A) Variant, PDB code: 7u6g was solved by P.D.Jeffrey, I.R.Taylor, B.L.Bassler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.96 / 2.45
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.621, 60.621, 145.963, 90, 90, 120
R / Rfree (%)	17.3 / 24.2

The binding sites of Iron atom in the Structure of Pqs Response Protein Pqse(E182W,E280A) Variant (pdb code 7u6g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Pqs Response Protein Pqse(E182W,E280A) Variant, PDB code: 7u6g:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Pqs Response Protein Pqse(E182W,E280A) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Pqs Response Protein Pqse(E182W,E280A) Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:70.8 occ:1.00 NE2 A:HIS159 2.0 79.0 1.0 OD2 A:ASP178 2.4 82.1 1.0 ND1 A:HIS71 2.4 77.1 1.0 NE2 A:HIS69 2.4 69.8 1.0 CE1 A:HIS159 2.8 75.5 1.0 FE A:FE502 3.1 64.4 1.0 CD2 A:HIS159 3.1 74.3 1.0 CD2 A:HIS69 3.3 74.8 1.0 CE1 A:HIS71 3.3 69.7 1.0 CG A:HIS71 3.3 74.9 1.0 CE1 A:HIS69 3.4 65.6 1.0 CG A:ASP178 3.4 55.7 1.0 O A:HOH629 3.5 56.5 1.0 CB A:HIS71 3.6 76.6 1.0 NE2 A:HIS74 3.8 63.0 1.0 CB A:ASP178 3.9 60.1 1.0 CD2 A:HIS74 3.9 58.5 1.0 ND1 A:HIS159 4.0 70.1 1.0 CG A:HIS159 4.2 72.6 1.0 OD1 A:ASP73 4.3 65.2 1.0 NE2 A:HIS71 4.4 85.0 1.0 OD1 A:ASP178 4.5 60.7 1.0 CD2 A:HIS71 4.5 68.7 1.0 ND1 A:HIS69 4.5 71.9 1.0 CG A:HIS69 4.5 74.5 1.0 OD2 A:ASP73 4.6 83.5 1.0 CE1 A:HIS74 4.8 61.4 1.0 CG A:ASP73 4.9 59.7 1.0 CG A:HIS74 5.0 56.5 1.0

Iron binding site 2 out of 2 in the Structure of Pqs Response Protein Pqse(E182W,E280A) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Pqs Response Protein Pqse(E182W,E280A) Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:64.4 occ:1.00 NE2 A:HIS74 2.1 63.0 1.0 OD2 A:ASP178 2.2 82.1 1.0 OD2 A:ASP73 2.2 83.5 1.0 O A:HOH629 2.3 56.5 1.0 NE2 A:HIS221 2.4 56.9 1.0 CD2 A:HIS74 3.1 58.5 1.0 FE A:FE501 3.1 70.8 1.0 CE1 A:HIS74 3.1 61.4 1.0 CG A:ASP178 3.1 55.7 1.0 CG A:ASP73 3.2 59.7 1.0 CE1 A:HIS221 3.2 58.0 1.0 OD1 A:ASP178 3.4 60.7 1.0 OD1 A:ASP73 3.5 65.2 1.0 CD2 A:HIS221 3.5 47.1 1.0 ND1 A:HIS74 4.2 52.5 1.0 CG A:HIS74 4.2 56.5 1.0 NE2 A:HIS69 4.3 69.8 1.0 ND1 A:HIS221 4.4 52.2 1.0 CE1 A:HIS69 4.5 65.6 1.0 CB A:ASP73 4.5 65.3 1.0 CB A:ASP178 4.5 60.1 1.0 CG A:HIS221 4.6 54.2 1.0 NE2 A:HIS159 4.7 79.0 1.0 CE1 A:HIS159 5.0 75.5 1.0

I.R.Taylor, P.D.Jeffrey, D.A.Moustafa, J.B.Goldberg, B.L.Bassler. The Pqse Active Site As A Target For Small Molecule Antimicrobial Agents Against Pseudomonas Aeruginosa. Biochemistry V. 61 1894 2022.
ISSN: ISSN 0006-2960
PubMed: 35985643
DOI: 10.1021/ACS.BIOCHEM.2C00334