Fluorine in PDB 5vej: High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase

The structure of High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase, PDB code: 5vej was solved by C.Selleck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.74 / 1.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.072, 109.072, 62.790, 90.00, 90.00, 120.00
R / Rfree (%)	13.1 / 14.4

The structure of High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Fluorine atom in the High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase (pdb code 5vej). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase, PDB code: 5vej:

Fluorine binding site 1 out of 1 in the High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:F405 b:15.6 occ:0.92 CO A:CO404 2.0 9.8 1.0 CO A:CO403 2.1 10.2 0.8 HE2 A:HIS55 2.5 12.0 1.0 OD2 A:ASP301 2.6 11.4 1.0 O A:HOH738 2.7 15.8 1.0 OQ2 A:KCX169 2.8 11.6 1.0 HE1 A:HIS230 2.8 15.4 1.0 OD1 A:ASP301 2.9 10.5 1.0 HH21 A:ARG254 3.0 17.3 0.7 OQ1 A:KCX169 3.1 12.6 1.0 NE2 A:HIS230 3.1 11.5 1.0 CG A:ASP301 3.1 10.6 1.0 CE1 A:HIS230 3.2 12.8 1.0 NE2 A:HIS55 3.3 10.0 1.0 CX A:KCX169 3.3 13.2 1.0 HD1 A:HIS201 3.4 15.3 1.0 O A:HOH692 3.5 18.8 0.8 NH2 A:ARG254 3.7 14.4 0.7 HE1 A:HIS55 3.8 11.7 1.0 NE2 A:HIS57 3.8 9.8 1.0 CE1 A:HIS55 3.9 9.7 1.0 HE A:ARG254 3.9 13.6 0.7 HH22 A:ARG254 4.1 17.3 0.7 HE1 A:TRP131 4.1 16.5 1.0 ND1 A:HIS201 4.2 12.8 1.0 CD2 A:HIS55 4.4 9.8 1.0 CD2 A:HIS230 4.4 10.8 1.0 CZ A:ARG254 4.5 11.4 0.7 NE A:ARG254 4.5 11.3 0.7 O A:HOH818 4.5 64.8 1.0 ND1 A:HIS230 4.5 12.1 1.0 HH22 A:ARG254 4.6 29.8 0.3 O A:HOH692 4.6 18.6 0.2 HE1 A:HIS201 4.6 16.9 1.0 CB A:ASP301 4.6 10.2 1.0 HD2 A:HIS55 4.6 11.7 1.0 CE1 A:HIS57 4.7 9.6 1.0 NZ A:KCX169 4.7 11.9 1.0 HE1 A:HIS57 4.7 11.5 1.0 CD2 A:HIS57 4.7 9.0 1.0 HD2 A:HIS57 4.8 10.8 1.0 HB2 A:ASP301 4.8 12.3 1.0 NE1 A:TRP131 4.8 13.7 1.0 CE1 A:HIS201 4.8 14.1 1.0 HD2 A:HIS230 4.9 12.9 1.0 HD2 A:ARG254 4.9 19.8 0.3 HB2 A:HIS201 4.9 14.5 1.0

C.Selleck, L.W.Guddat, D.L.Ollis, G.Schenk, M.M.Pedroso. High Resolution Crystal Structure of A Fluoride-Inhibited Organophosphate-Degrading Metallohydrolase. J. Inorg. Biochem. V. 177 287 2017.
ISSN: ISSN 1873-3344
PubMed: 28673485
DOI: 10.1016/J.JINORGBIO.2017.06.013