Iron in PDB 4a9v: Pseudomonas Fluorescens Phox

All present enzymatic activity of Pseudomonas Fluorescens Phox:
3.1.3.1;

The structure of Pseudomonas Fluorescens Phox, PDB code: 4a9v was solved by S.C.Yong, P.Roversi, J.E.D.Lillington, O.B.Zeldin, E.F.Garman, S.M.Lea, B.C.Berks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.30 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.820, 75.980, 114.970, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 11.7

The structure of Pseudomonas Fluorescens Phox also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Pseudomonas Fluorescens Phox (pdb code 4a9v). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Pseudomonas Fluorescens Phox, PDB code: 4a9v:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Pseudomonas Fluorescens Phox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pseudomonas Fluorescens Phox within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1594 b:7.7 occ:1.00 FE1 A:FEO1594 0.0 7.7 1.0 O A:FEO1594 2.0 7.9 1.0 OE1 A:GLU194 2.0 7.0 1.0 OE2 A:GLU90 2.1 8.6 1.0 O A:HOH2186 2.2 8.2 1.0 O A:HOH2239 2.3 13.7 1.0 SG A:CYS179 2.5 7.6 1.0 CD A:GLU194 3.0 7.2 1.0 CD A:GLU90 3.1 7.2 1.0 LI A:LI613 3.1 8.3 1.0 CB A:CYS179 3.4 6.1 1.0 OE2 A:GLU194 3.4 7.8 1.0 FE2 A:FEO1594 3.5 7.1 1.0 OE1 A:GLU90 3.5 8.7 1.0 CA A:CA1591 3.7 7.9 1.0 OD2 A:ASP69 3.9 8.7 1.0 O A:HOH2453 3.9 16.7 0.5 O A:HOH2706 3.9 10.5 1.0 O A:HOH2185 4.0 8.2 1.0 CA A:CYS179 4.1 6.0 1.0 O A:HOH2240 4.1 9.1 1.0 OE2 A:GLU273 4.1 6.8 1.0 O A:HOH2241 4.2 11.9 1.0 O A:HOH2453 4.3 16.7 0.5 OE1 A:GLU273 4.3 7.3 1.0 CG A:GLU194 4.3 6.6 1.0 CG A:GLU90 4.4 7.0 1.0 CD A:GLU273 4.4 6.4 1.0 O A:HOH2238 4.5 62.0 1.0 CB A:GLU194 4.5 6.5 1.0 OE2 A:GLU387 4.7 7.2 1.0 ND2 A:ASN195 4.7 18.1 1.0 O A:HOH2704 4.8 47.6 0.5 CG A:ASP69 4.9 7.0 1.0 C A:CYS179 5.0 5.7 1.0

Iron binding site 2 out of 2 in the Pseudomonas Fluorescens Phox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pseudomonas Fluorescens Phox within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1594 b:7.1 occ:1.00 FE2 A:FEO1594 0.0 7.1 1.0 O A:FEO1594 1.9 7.9 1.0 OD2 A:ASP292 2.0 7.4 1.0 OE1 A:GLU273 2.0 7.3 1.0 OE2 A:GLU194 2.1 7.8 1.0 OE2 A:GLU387 2.2 7.2 1.0 O A:HOH2453 2.4 16.7 0.5 CD A:GLU273 2.9 6.4 1.0 CG A:ASP292 3.0 7.3 1.0 CD A:GLU194 3.1 7.2 1.0 CD A:GLU387 3.1 7.1 1.0 OE2 A:GLU273 3.2 6.8 1.0 CB A:ASP292 3.4 7.2 1.0 FE1 A:FEO1594 3.5 7.7 1.0 OE1 A:GLU194 3.5 7.0 1.0 O A:HOH2453 3.5 16.7 0.5 CG A:GLU387 3.5 6.5 1.0 CA A:CA1591 3.6 7.9 1.0 O A:HOH2704 3.6 13.0 0.5 O A:HOH2704 3.8 47.6 0.5 O A:HOH2452 4.0 23.1 1.0 O A:HOH2239 4.1 13.7 1.0 SG A:CYS179 4.1 7.6 1.0 OD1 A:ASP292 4.1 9.5 1.0 CA A:CA1592 4.2 7.8 0.9 O A:HOH2706 4.2 10.5 1.0 OE1 A:GLU387 4.3 7.8 1.0 CG A:GLU273 4.3 6.5 1.0 CG A:GLU194 4.4 6.6 1.0 NH2 A:ARG385 4.4 15.1 0.7 CB A:GLU387 4.5 6.2 1.0 O A:HOH2186 4.6 8.2 1.0 CB A:GLU273 4.7 6.4 1.0 OD2 A:ASP479 4.8 7.3 1.0 CA A:ASP292 4.9 7.1 1.0 OD1 A:ASP479 5.0 7.6 1.0

S.C.Yong, P.Roversi, J.Lillington, F.Rodriguez, M.Krehenbrink, O.B.Zeldin, E.F.Garman, S.M.Lea, B.C.Berks. A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science V. 345 1170 2014.
ISSN: ISSN 0036-8075
PubMed: 25190793
DOI: 10.1126/SCIENCE.1254237