Fluorine in PDB 2xyl: Cellulomonas Fimi Xylanase/Cellulase Complexed with 2-Deoxy- 2-Fluoro-Xylobiose

All present enzymatic activity of Cellulomonas Fimi Xylanase/Cellulase Complexed with 2-Deoxy- 2-Fluoro-Xylobiose:
3.2.1.91;

The structure of Cellulomonas Fimi Xylanase/Cellulase Complexed with 2-Deoxy- 2-Fluoro-Xylobiose, PDB code: 2xyl was solved by V.Monem, C.Birsan, R.A.J.Warren, S.G.Withers, D.R.Rose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.180, 88.180, 81.290, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26

The binding sites of Fluorine atom in the Cellulomonas Fimi Xylanase/Cellulase Complexed with 2-Deoxy- 2-Fluoro-Xylobiose (pdb code 2xyl). 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 Cellulomonas Fimi Xylanase/Cellulase Complexed with 2-Deoxy- 2-Fluoro-Xylobiose, PDB code: 2xyl:

Fluorine binding site 1 out of 1 in the Cellulomonas Fimi Xylanase/Cellulase Complexed with 2-Deoxy- 2-Fluoro-Xylobiose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cellulomonas Fimi Xylanase/Cellulase Complexed with 2-Deoxy- 2-Fluoro-Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:6.9 occ:1.00 F2 A:X2F602 0.0 6.9 1.0 C2 A:X2F602 1.4 6.0 1.0 C1 A:X2F602 2.4 7.2 1.0 C3 A:X2F602 2.4 9.0 1.0 OE2 A:GLU233 2.6 8.1 1.0 O3 A:X2F602 2.9 4.0 1.0 OE1 A:GLU233 3.0 5.1 1.0 CD A:GLU233 3.1 5.1 1.0 NE2 A:HIS80 3.1 7.3 1.0 CE1 A:HIS80 3.2 7.6 1.0 ND2 A:ASN126 3.3 2.0 1.0 O5 A:X2F602 3.6 4.2 1.0 C4 A:X2F602 3.7 7.6 1.0 OD1 A:ASN126 3.8 6.0 1.0 NE2 A:GLN203 3.8 2.0 1.0 CG A:ASN126 3.9 2.4 1.0 OE2 A:GLU127 3.9 10.9 1.0 C5 A:X2F602 4.1 5.8 1.0 ND2 A:ASN169 4.2 4.8 1.0 CD A:GLN203 4.3 5.9 1.0 CD2 A:HIS80 4.5 6.7 1.0 ND1 A:HIS80 4.5 9.0 1.0 OE1 A:GLN203 4.5 8.1 1.0 CG A:GLU233 4.5 8.5 1.0 CZ2 A:TRP84 4.5 7.6 1.0 O A:HOH952 4.5 22.3 1.0 CH2 A:TRP84 4.6 8.1 1.0 O4 A:X2F602 4.8 8.0 1.0 CD A:GLU127 4.9 10.2 1.0 CE2 A:TRP84 4.9 7.7 1.0

V.Notenboom, C.Birsan, R.A.Warren, S.G.Withers, D.R.Rose. Exploring the Cellulose/Xylan Specificity of the Beta-1,4-Glycanase Cex From Cellulomonas Fimi Through Crystallography and Mutation. Biochemistry V. 37 4751 1998.
ISSN: ISSN 0006-2960
PubMed: 9537990
DOI: 10.1021/BI9729211