Fluorine in PDB 2rgm: Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase

All present enzymatic activity of Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase:
3.2.1.21;

The structure of Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase, PDB code: 2rgm was solved by W.Chuenchor, J.R.Ketudat Cairns, S.Pengthaisong, R.C.Robinson, J.Yuvaniyama, C.-J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.21 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.287, 101.286, 127.253, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.7

The structure of Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase (pdb code 2rgm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase, PDB code: 2rgm:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase within 5.0Å range: probe atom residue distance (Å) B Occ A:F1386 b:9.2 occ:1.00 F2 A:G2F1386 0.0 9.2 1.0 C2 A:G2F1386 1.4 8.3 1.0 C1 A:G2F1386 2.4 7.0 1.0 C3 A:G2F1386 2.4 7.3 1.0 OE2 A:GLU386 2.6 8.1 1.0 O A:HOH1755 2.7 22.5 1.0 O3 A:G2F1386 2.8 5.8 1.0 ND2 A:ASN175 3.0 13.7 1.0 CE1 A:HIS130 3.1 7.4 1.0 NE2 A:HIS130 3.2 11.0 1.0 OD1 A:ASN175 3.6 14.4 1.0 O5 A:G2F1386 3.6 6.8 1.0 CG A:ASN175 3.6 12.6 1.0 CD A:GLU386 3.7 10.4 1.0 C4 A:G2F1386 3.7 6.2 1.0 OE1 A:GLU176 3.8 15.6 1.0 OH A:TYR131 3.8 21.9 1.0 CD A:GLU176 3.9 13.6 1.0 OE2 A:GLU176 4.0 12.6 1.0 C5 A:G2F1386 4.1 7.3 1.0 OE1 A:GLU386 4.1 8.7 1.0 ND2 A:ASN313 4.2 9.2 1.0 ND1 A:HIS130 4.4 13.1 1.0 O2 A:GOL1389 4.4 13.8 1.0 CZ A:TYR131 4.5 18.9 1.0 CD2 A:HIS130 4.5 7.3 1.0 CE1 A:TYR131 4.5 20.4 1.0 CZ3 A:TRP433 4.7 5.6 1.0 O4 A:G2F1386 4.8 6.1 1.0 CG A:GLU176 4.8 12.3 1.0 CG A:GLU386 4.8 10.5 1.0 CE3 A:TRP433 4.9 6.2 1.0 CH2 A:TRP433 5.0 6.1 1.0

Fluorine binding site 2 out of 2 in the Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Rice BGLU1 Beta-Glucosidase, A Plant Exoglucanase/Beta-Glucosidase within 5.0Å range: probe atom residue distance (Å) B Occ B:F1386 b:10.0 occ:1.00 F2 B:G2F1386 0.0 10.0 1.0 C2 B:G2F1386 1.4 7.5 1.0 C1 B:G2F1386 2.4 7.7 1.0 C3 B:G2F1386 2.4 7.1 1.0 OE2 B:GLU386 2.6 8.0 1.0 O B:HOH2206 2.7 24.1 1.0 O3 B:G2F1386 2.8 6.9 1.0 ND2 B:ASN175 3.0 15.3 1.0 CE1 B:HIS130 3.2 8.5 1.0 NE2 B:HIS130 3.2 12.0 1.0 OD1 B:ASN175 3.5 15.6 1.0 O5 B:G2F1386 3.6 7.3 1.0 CG B:ASN175 3.7 13.9 1.0 CD B:GLU386 3.7 12.0 1.0 C4 B:G2F1386 3.7 5.6 1.0 OE1 B:GLU176 3.7 16.0 1.0 OH B:TYR131 3.9 21.9 1.0 CD B:GLU176 3.9 12.5 1.0 OE2 B:GLU176 4.0 12.9 1.0 C5 B:G2F1386 4.1 8.3 1.0 ND2 B:ASN313 4.2 8.8 1.0 OE1 B:GLU386 4.2 9.7 1.0 ND1 B:HIS130 4.4 12.3 1.0 O2 B:GOL1388 4.4 15.7 1.0 CD2 B:HIS130 4.4 7.3 1.0 CZ B:TYR131 4.5 19.0 1.0 CE1 B:TYR131 4.5 20.0 1.0 CG B:GLU386 4.6 12.0 1.0 CZ3 B:TRP433 4.7 6.1 1.0 CG B:GLU176 4.8 12.0 1.0 O4 B:G2F1386 4.8 5.9 1.0 CE3 B:TRP433 4.9 5.7 1.0 CH2 B:TRP433 5.0 5.9 1.0

W.Chuenchor, S.Pengthaisong, R.C.Robinson, J.Yuvaniyama, W.Oonanant, D.R.Bevan, A.Esen, C.J.Chen, R.Opassiri, J.Svasti, J.R.K.Cairns. Structural Insights Into Rice BGLU1 Beta-Glucosidase Oligosaccharide Hydrolysis and Transglycosylation J.Mol.Biol. V. 377 1200 2008.
ISSN: ISSN 0022-2836
PubMed: 18308333
DOI: 10.1016/J.JMB.2008.01.076