Iron in PDB 2vw8: Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa

The structure of Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa, PDB code: 2vw8 was solved by L.G.Carter, K.A.Johnson, H.Liu, S.A.Mcmahon, M.Oke, J.H.Naismith, M.F.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.30 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.370, 57.690, 50.240, 90.00, 97.07, 90.00
R / Rfree (%)	16.6 / 18.6

The structure of Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Iron atom in the Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa (pdb code 2vw8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa, PDB code: 2vw8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:14.6 occ:1.00 O2 A:CAC403 2.0 22.9 1.0 NE2 A:HIS74 2.2 10.0 1.0 NE2 A:HIS221 2.2 10.4 1.0 OD2 A:ASP178 2.2 11.5 1.0 O A:HOH2174 2.3 21.8 1.0 OD2 A:ASP73 2.4 13.6 1.0 CG A:ASP178 3.0 10.2 1.0 CD2 A:HIS74 3.1 9.6 1.0 CE1 A:HIS221 3.1 10.3 1.0 OD1 A:ASP178 3.2 12.6 1.0 CE1 A:HIS74 3.2 10.2 1.0 CD2 A:HIS221 3.2 12.0 1.0 AS A:CAC403 3.2 24.0 1.0 CG A:ASP73 3.3 10.7 1.0 FE A:FE2402 3.5 12.7 1.0 OD1 A:ASP73 3.7 10.6 1.0 O1 A:CAC403 3.8 20.2 1.0 C1 A:CAC403 4.0 25.3 1.0 ND1 A:HIS221 4.2 10.4 1.0 O A:HOH2175 4.2 31.2 1.0 CG A:HIS74 4.2 8.2 1.0 ND1 A:HIS74 4.3 9.8 1.0 CG A:HIS221 4.3 10.7 1.0 CB A:ASP178 4.4 9.3 1.0 NE2 A:HIS69 4.5 8.9 1.0 CE1 A:HIS69 4.5 8.1 1.0 CB A:ASP73 4.6 10.4 1.0 C2 A:CAC403 4.9 24.1 1.0 CE1 A:PHE276 5.0 17.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Quinolone Signal Response Protein Pqse From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:12.7 occ:1.00 O A:HOH2174 1.9 21.8 1.0 NE2 A:HIS159 2.1 9.8 1.0 ND1 A:HIS71 2.2 11.4 1.0 NE2 A:HIS69 2.2 8.9 1.0 O1 A:CAC403 2.4 20.2 1.0 OD2 A:ASP178 2.5 11.5 1.0 CE1 A:HIS159 3.1 9.7 1.0 CE1 A:HIS71 3.1 13.3 1.0 CD2 A:HIS159 3.1 9.2 1.0 CD2 A:HIS69 3.1 9.0 1.0 CE1 A:HIS69 3.2 8.1 1.0 CG A:HIS71 3.2 10.7 1.0 FE A:FE2401 3.5 14.6 1.0 CG A:ASP178 3.5 10.2 1.0 CB A:HIS71 3.6 10.1 1.0 AS A:CAC403 3.6 24.0 1.0 CB A:ASP178 3.9 9.3 1.0 O2 A:CAC403 4.0 22.9 1.0 CD2 A:HIS74 4.0 9.6 1.0 NE2 A:HIS74 4.1 10.0 1.0 ND1 A:HIS159 4.2 8.5 1.0 NE2 A:HIS71 4.2 14.8 1.0 CG A:HIS159 4.2 8.8 1.0 CG A:HIS69 4.3 10.1 1.0 CD2 A:HIS71 4.3 12.9 1.0 ND1 A:HIS69 4.3 10.2 1.0 C1 A:CAC403 4.4 25.3 1.0 OD1 A:ASP73 4.5 10.6 1.0 OD1 A:ASP178 4.7 12.6 1.0 OD2 A:ASP73 4.9 13.6 1.0

M.Oke, L.G.Carter, K.A.Johnson, H.Liu, S.A.Mcmahon, X.Yan, M.Kerou, N.D.Weikart, N.Kadi, M.A.Sheikh, S.Schmelz, M.Dorward, M.Zawadzki, C.Cozens, H.Falconer, H.Powers, I.M.Overton, C.A.J.Van Niekerk, X.Peng, P.Patel, R.A.Garrett, D.Prangishvili C, H.Botting, P.J.Coote, D.T.F.Dryden, G.J.Barton, U.Schwarz-Linek, G.L.Challis, G.L.Taylor, M.F.White, J.H.Naismith. The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics V. 11 167 2010.
ISSN: ISSN 1345-711X
PubMed: 20419351
DOI: 10.1007/S10969-010-9090-Y