Calcium 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:

Iron	(Fe)	2 atoms
Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pseudomonas Fluorescens Phox within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1591 b:7.9 occ:1.00 OE2 A:GLU273 2.3 6.8 1.0 O A:FEO1594 2.5 7.9 1.0 OD2 A:ASP479 2.5 7.3 1.0 O A:HOH2806 2.5 9.4 1.0 OD1 A:ASP479 2.5 7.6 1.0 O A:HOH2185 2.5 8.2 1.0 O A:HOH2706 2.6 10.5 1.0 LI A:LI613 2.7 8.3 1.0 OE2 A:GLU387 2.8 7.2 1.0 O A:HOH2186 2.8 8.2 1.0 CG A:ASP479 2.8 6.9 1.0 CD A:GLU273 3.4 6.4 1.0 FE2 A:FEO1594 3.6 7.1 1.0 FE1 A:FEO1594 3.7 7.7 1.0 CA A:CA1592 3.7 7.8 0.9 CD A:GLU387 3.7 7.1 1.0 OE1 A:GLU273 3.9 7.3 1.0 SG A:CYS179 3.9 7.6 1.0 NE1 A:TRP388 4.0 6.1 1.0 OE2 A:GLU532 4.2 9.5 1.0 OE1 A:GLU387 4.2 7.8 1.0 CB A:ASP479 4.4 7.0 1.0 CD1 A:TRP388 4.4 6.0 1.0 O A:HOH2704 4.5 47.6 0.5 O A:HOH2239 4.6 13.7 1.0 O A:HOH2453 4.6 16.7 0.5 CG A:GLU387 4.7 6.5 1.0 CG A:GLU273 4.7 6.5 1.0 OG1 A:THR534 4.7 8.3 1.0 O A:HOH2805 4.7 11.0 1.0 OD1 A:ASP69 4.8 8.1 1.0 CB A:GLU387 4.9 6.2 1.0 O A:HOH2240 4.9 9.1 1.0 OD2 A:ASP69 4.9 8.7 1.0 OD2 A:ASP494 5.0 10.2 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pseudomonas Fluorescens Phox within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1592 b:7.8 occ:0.93 OD2 A:ASP479 2.3 7.3 1.0 O A:HOH2705 2.4 8.9 1.0 O A:HOH2704 2.4 47.6 0.5 OD2 A:ASP494 2.4 10.2 1.0 O A:HOH2704 2.4 13.0 0.5 OE1 A:GLU387 2.5 7.8 1.0 OE2 A:GLU387 2.5 7.2 1.0 O A:HOH2706 2.6 10.5 1.0 CD A:GLU387 2.9 7.1 1.0 CG A:ASP479 3.2 6.9 1.0 CG A:ASP494 3.4 8.4 1.0 CB A:ASP494 3.6 7.9 1.0 CA A:CA1591 3.7 7.9 1.0 O A:HOH2453 3.8 16.7 0.5 NH2 A:ARG385 3.8 15.1 0.7 CB A:ASP479 4.0 7.0 1.0 O A:FEO1594 4.0 7.9 1.0 O A:HOH2823 4.0 17.0 1.0 OD1 A:ASP479 4.1 7.6 1.0 FE2 A:FEO1594 4.2 7.1 1.0 CG A:GLU387 4.4 6.5 1.0 O A:ASP494 4.4 8.6 1.0 OD2 A:ASP292 4.4 7.4 1.0 OG1 A:THR403 4.5 7.1 1.0 OE2 A:GLU532 4.5 9.5 1.0 O A:HOH2703 4.5 41.0 1.0 OD1 A:ASP494 4.6 10.0 1.0 CG2 A:THR403 4.6 7.2 1.0 O A:HOH2806 4.7 9.4 1.0 CZ A:ARG385 4.7 11.8 0.7 CB A:THR403 4.9 6.8 1.0 LI A:LI616 4.9 10.8 1.0 CA A:ASP494 5.0 7.5 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