Fluorine in PDB 5vqe: Beta-Glucoside Phosphorylase Bglx Bound to 2FGLC

The structure of Beta-Glucoside Phosphorylase Bglx Bound to 2FGLC, PDB code: 5vqe was solved by A.Patel, B.L.Mark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.12 / 1.89
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	80.390, 83.950, 161.270, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.7

The binding sites of Fluorine atom in the Beta-Glucoside Phosphorylase Bglx Bound to 2FGLC (pdb code 5vqe). 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 Beta-Glucoside Phosphorylase Bglx Bound to 2FGLC, PDB code: 5vqe:

Fluorine binding site 1 out of 1 in the Beta-Glucoside Phosphorylase Bglx Bound to 2FGLC


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Beta-Glucoside Phosphorylase Bglx Bound to 2FGLC within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:13.4 occ:1.00 F2 A:G2F601 0.0 13.4 1.0 C2 A:G2F601 1.4 17.0 1.0 H2 A:G2F601 1.9 20.4 1.0 C3 A:G2F601 2.4 11.4 1.0 C1 A:G2F601 2.4 13.4 1.0 H3 A:G2F601 2.5 13.7 1.0 OD2 A:ASP288 2.6 18.4 1.0 H1 A:G2F601 2.7 16.1 1.0 OD1 A:ASP288 2.8 14.2 1.0 O3 A:G2F601 2.9 11.7 1.0 CG A:ASP288 2.9 18.9 1.0 HD2 A:HIS194 3.0 15.1 1.0 HE22 A:GLN205 3.1 29.2 1.0 O A:HOH923 3.1 18.2 1.0 HO3 A:G2F601 3.3 14.1 1.0 NE2 A:HIS194 3.3 12.1 1.0 HE1 A:MET292 3.3 14.6 1.0 CD2 A:HIS194 3.3 12.5 1.0 NE2 A:GLN205 3.5 24.3 1.0 HE21 A:GLN205 3.5 29.2 1.0 O5 A:G2F601 3.6 12.3 1.0 C4 A:G2F601 3.7 13.6 1.0 H4 A:G2F601 4.0 16.3 1.0 HE1 A:HIS206 4.0 39.8 1.0 C5 A:G2F601 4.1 12.9 1.0 HH22 A:ARG163 4.2 20.1 1.0 H5 A:G2F601 4.3 15.6 1.0 CB A:ASP288 4.3 13.0 1.0 CE A:MET292 4.3 12.1 1.0 O A:HOH1029 4.3 31.1 1.0 O A:HOH986 4.3 34.1 1.0 HB2 A:ASP288 4.3 15.7 1.0 O A:HOH963 4.3 35.2 1.0 CD A:GLN205 4.4 23.5 1.0 CE1 A:HIS194 4.4 11.8 1.0 CE1 A:HIS206 4.4 33.1 1.0 CG A:HIS194 4.5 12.2 1.0 HH12 A:ARG163 4.5 20.7 1.0 HE2 A:MET292 4.6 14.6 1.0 O A:HOH865 4.6 22.1 1.0 NE2 A:HIS206 4.6 36.6 1.0 O4 A:G2F601 4.7 9.2 1.0 HB3 A:ASP288 4.7 15.7 1.0 H A:ALA289 4.8 14.2 1.0 HD2 A:LYS193 4.8 13.5 1.0 OE1 A:GLN205 4.8 17.2 1.0 SD A:MET239 4.8 13.4 1.0 HE3 A:MET292 4.8 14.6 1.0 HE1 A:HIS194 4.9 14.2 1.0 HB1 A:ALA241 5.0 16.4 1.0 HZ3 A:LYS193 5.0 14.4 1.0 ND1 A:HIS194 5.0 11.8 1.0

S.S.Macdonald, A.Patel, V.L.C.Larmour, C.Morgan-Lang, S.J.Hallam, B.L.Mark, S.G.Withers. Structural and Mechanistic Analysis of A Beta-Glycoside Phosphorylase Identified By Screening A Metagenomic Library. J. Biol. Chem. V. 293 3451 2018.
ISSN: ESSN 1083-351X
PubMed: 29317495
DOI: 10.1074/JBC.RA117.000948