Iron in PDB 2q0j: Structure of Pseudomonas Quinolone Signal Response Protein Pqse

The structure of Structure of Pseudomonas Quinolone Signal Response Protein Pqse, PDB code: 2q0j was solved by S.Yu, V.Jensen, I.Feldmann, S.Haussler, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.82 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.760, 66.090, 110.260, 90.00, 97.19, 90.00
R / Rfree (%)	15.1 / 21.1

The binding sites of Iron atom in the Structure of Pseudomonas Quinolone Signal Response Protein Pqse (pdb code 2q0j). 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 Pseudomonas Quinolone Signal Response Protein Pqse, PDB code: 2q0j:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Pseudomonas Quinolone Signal Response Protein Pqse


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Pseudomonas Quinolone Signal Response Protein Pqse within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe997 b:23.8 occ:1.00 O A:HOH999 1.9 27.5 1.0 ND1 A:HIS71 2.2 19.8 1.0 NE2 A:HIS159 2.2 19.6 1.0 NE2 A:HIS69 2.2 19.7 1.0 OD2 A:ASP178 2.5 22.9 1.0 CD2 A:HIS69 3.1 24.2 1.0 CE1 A:HIS71 3.1 19.9 1.0 CD2 A:HIS159 3.1 19.5 1.0 CE1 A:HIS159 3.2 20.0 1.0 CG A:HIS71 3.2 19.3 1.0 CE1 A:HIS69 3.2 17.8 1.0 CG A:ASP178 3.5 20.6 1.0 CB A:HIS71 3.6 18.9 1.0 O2 A:BEZ500 3.6 26.9 0.7 FE A:FE998 3.8 21.7 1.0 CD2 A:HIS74 3.8 17.9 1.0 CB A:ASP178 3.9 18.8 1.0 NE2 A:HIS74 3.9 17.2 1.0 O1 A:BEZ500 4.2 22.3 0.7 NE2 A:HIS71 4.2 21.9 1.0 CG A:HIS159 4.3 19.1 1.0 OD1 A:ASP73 4.3 18.4 1.0 CG A:HIS69 4.3 18.9 1.0 C A:BEZ500 4.3 25.7 0.7 ND1 A:HIS159 4.3 18.4 1.0 ND1 A:HIS69 4.3 18.7 1.0 CD2 A:HIS71 4.3 19.1 1.0 OD1 A:ASP178 4.7 20.0 1.0 CG A:HIS74 4.8 17.0 1.0 CE1 A:HIS74 5.0 17.0 1.0 OD2 A:ASP73 5.0 18.8 1.0

Iron binding site 2 out of 4 in the Structure of Pseudomonas Quinolone Signal Response Protein Pqse


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Pseudomonas Quinolone Signal Response Protein Pqse within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe998 b:21.7 occ:1.00 O1 A:BEZ500 2.0 22.3 0.7 NE2 A:HIS221 2.1 18.0 1.0 NE2 A:HIS74 2.1 17.2 1.0 OD2 A:ASP178 2.2 22.9 1.0 OD2 A:ASP73 2.4 18.8 1.0 O A:HOH999 2.7 27.5 1.0 CG A:ASP178 3.0 20.6 1.0 CE1 A:HIS74 3.0 17.0 1.0 OD1 A:ASP178 3.1 20.0 1.0 CE1 A:HIS221 3.1 17.7 1.0 CD2 A:HIS221 3.1 19.8 1.0 C A:BEZ500 3.1 25.7 0.7 CD2 A:HIS74 3.2 17.9 1.0 CG A:ASP73 3.3 16.2 1.0 O2 A:BEZ500 3.6 26.9 0.7 OD1 A:ASP73 3.6 18.4 1.0 FE A:FE997 3.8 23.8 1.0 ND1 A:HIS74 4.2 20.0 1.0 ND1 A:HIS221 4.2 18.6 1.0 CG A:HIS221 4.2 18.1 1.0 CG A:HIS74 4.3 17.0 1.0 C1 A:BEZ500 4.4 26.2 0.7 CB A:ASP178 4.4 18.8 1.0 CB A:ASP73 4.6 17.9 1.0 C2 A:BEZ500 4.6 25.7 0.7 NE2 A:HIS69 4.7 19.7 1.0 CE1 A:HIS69 4.7 17.8 1.0

Iron binding site 3 out of 4 in the Structure of Pseudomonas Quinolone Signal Response Protein Pqse


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Pseudomonas Quinolone Signal Response Protein Pqse within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe997 b:27.3 occ:1.00 O B:HOH999 1.9 30.6 1.0 ND1 B:HIS71 2.1 24.3 1.0 NE2 B:HIS69 2.2 19.4 1.0 NE2 B:HIS159 2.2 18.4 1.0 OD2 B:ASP178 2.7 25.2 1.0 CE1 B:HIS71 3.0 25.8 1.0 CD2 B:HIS69 3.1 23.4 1.0 CD2 B:HIS159 3.1 18.5 1.0 CE1 B:HIS159 3.2 20.4 1.0 CG B:HIS71 3.2 27.5 1.0 CE1 B:HIS69 3.2 23.9 1.0 O2 B:BEZ500 3.4 30.0 0.7 CB B:HIS71 3.5 25.9 1.0 FE B:FE998 3.7 26.4 1.0 CG B:ASP178 3.7 23.2 1.0 CD2 B:HIS74 3.8 23.0 1.0 NE2 B:HIS74 3.8 22.8 1.0 CB B:ASP178 3.9 21.1 1.0 O1 B:BEZ500 4.1 30.0 0.7 NE2 B:HIS71 4.2 24.4 1.0 C B:BEZ500 4.2 30.2 0.7 ND1 B:HIS159 4.3 19.8 1.0 CD2 B:HIS71 4.3 27.1 1.0 CG B:HIS159 4.3 19.5 1.0 ND1 B:HIS69 4.3 23.5 1.0 CG B:HIS69 4.3 23.0 1.0 OD1 B:ASP73 4.4 27.2 1.0 OD1 B:ASP178 4.8 25.3 1.0 CG B:HIS74 4.8 23.4 1.0 CE1 B:HIS74 4.9 25.6 1.0 OD2 B:ASP73 4.9 28.7 1.0 CA B:HIS71 5.0 25.9 1.0

Iron binding site 4 out of 4 in the Structure of Pseudomonas Quinolone Signal Response Protein Pqse


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Pseudomonas Quinolone Signal Response Protein Pqse within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe998 b:26.4 occ:1.00 O1 B:BEZ500 1.9 30.0 0.7 NE2 B:HIS74 2.1 22.8 1.0 OD2 B:ASP178 2.1 25.2 1.0 NE2 B:HIS221 2.1 24.1 1.0 O B:HOH999 2.4 30.6 1.0 OD2 B:ASP73 2.4 28.7 1.0 CG B:ASP178 3.0 23.2 1.0 CE1 B:HIS221 3.0 24.8 1.0 CE1 B:HIS74 3.1 25.6 1.0 CD2 B:HIS74 3.1 23.0 1.0 C B:BEZ500 3.1 30.2 0.7 OD1 B:ASP178 3.1 25.3 1.0 CD2 B:HIS221 3.2 24.6 1.0 CG B:ASP73 3.3 25.5 1.0 O2 B:BEZ500 3.5 30.0 0.7 FE B:FE997 3.7 27.3 1.0 OD1 B:ASP73 3.7 27.2 1.0 ND1 B:HIS74 4.2 22.7 1.0 CG B:HIS74 4.2 23.4 1.0 ND1 B:HIS221 4.2 24.5 1.0 C1 B:BEZ500 4.3 28.9 0.7 CG B:HIS221 4.3 23.7 1.0 CB B:ASP178 4.4 21.1 1.0 C2 B:BEZ500 4.5 29.4 0.7 CE1 B:HIS69 4.6 23.9 1.0 CB B:ASP73 4.6 26.2 1.0 NE2 B:HIS69 4.6 19.4 1.0

S.Yu, V.Jensen, J.Seeliger, I.Feldmann, S.Weber, E.Schleicher, S.Haussler, W.Blankenfeldt. Structure Elucidation and Preliminary Assessment of Hydrolase Activity of Pqse, the Pseudomonas Quinolone Signal (Pqs) Response Protein. Biochemistry V. 48 10298 2009.
ISSN: ISSN 0006-2960
PubMed: 19788310
DOI: 10.1021/BI900123J