Fluorine in PDB 1e0x: Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A

All present enzymatic activity of Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A:
3.2.1.8;

The structure of Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A, PDB code: 1e0x was solved by V.Ducros, S.J.Charnock, U.Derewenda, Z.S.Derewenda, Z.Dauter, C.Dupont, F.Shareck, R.Morosoli, D.Kluepfel, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.210, 81.060, 72.810, 90.00, 102.79, 90.00
R / Rfree (%)	12.6 / 16.2

The binding sites of Fluorine atom in the Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A (pdb code 1e0x). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A, PDB code: 1e0x:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:8.6 occ:1.00 F2 A:X2F701 0.0 8.6 1.0 C2 A:X2F701 1.4 7.9 1.0 C3 A:X2F701 2.4 6.6 1.0 C1 A:X2F701 2.4 7.3 1.0 OE2 A:GLU236 2.7 8.9 1.0 O3 A:X2F701 2.7 6.6 1.0 CE1 A:HIS81 2.9 7.8 1.0 OE1 A:GLU236 3.0 6.4 1.0 NE2 A:HIS81 3.1 8.3 1.0 ND2 A:ASN127 3.1 6.7 1.0 CD A:GLU236 3.2 7.0 1.0 O5 A:X2F701 3.6 7.5 1.0 C4 A:X2F701 3.7 6.1 1.0 NE2 A:GLN205 3.8 6.1 1.0 CG A:ASN127 4.0 7.0 1.0 OD1 A:ASN127 4.0 9.2 1.0 OE2 A:GLU128 4.0 8.0 1.0 ND2 A:ASN170 4.2 7.8 1.0 ND1 A:HIS81 4.2 8.3 1.0 C5 A:X2F701 4.2 5.6 1.0 CD A:GLN205 4.2 6.2 1.0 CH2 A:TRP85 4.3 8.3 1.0 CZ2 A:TRP85 4.4 8.1 1.0 CD2 A:HIS81 4.4 8.8 1.0 O A:HOH2182 4.4 13.7 1.0 OE1 A:GLN205 4.5 7.5 1.0 CG A:GLU236 4.6 6.4 1.0 O4 A:X2F701 4.8 6.6 1.0 O A:HOH2180 4.9 11.1 1.0 CZ3 A:TRP85 4.9 9.1 1.0 CG A:HIS81 4.9 6.8 1.0 CD A:GLU128 5.0 7.3 1.0 CG A:GLN205 5.0 6.3 1.0

Fluorine binding site 2 out of 2 in the Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Xylanase 10A From Sreptomyces Lividans. Xylobiosyl-Enzyme Intermediate at 1.65 A within 5.0Å range: probe atom residue distance (Å) B Occ B:F701 b:8.5 occ:1.00 F2 B:X2F701 0.0 8.5 1.0 C2 B:X2F701 1.4 8.1 1.0 C3 B:X2F701 2.4 6.8 1.0 C1 B:X2F701 2.4 7.4 1.0 OE2 B:GLU236 2.7 8.6 1.0 O3 B:X2F701 2.7 7.1 1.0 CE1 B:HIS81 2.9 10.3 1.0 OE1 B:GLU236 3.0 7.4 1.0 NE2 B:HIS81 3.1 9.7 1.0 CD B:GLU236 3.2 7.4 1.0 ND2 B:ASN127 3.2 7.8 1.0 O5 B:X2F701 3.6 8.5 1.0 C4 B:X2F701 3.7 6.5 1.0 NE2 B:GLN205 3.8 6.8 1.0 CG B:ASN127 4.0 6.2 1.0 OD1 B:ASN127 4.0 7.8 1.0 OE2 B:GLU128 4.1 8.3 1.0 ND2 B:ASN170 4.2 6.7 1.0 C5 B:X2F701 4.2 6.6 1.0 ND1 B:HIS81 4.2 8.4 1.0 CD B:GLN205 4.2 7.6 1.0 CH2 B:TRP85 4.3 9.1 1.0 CZ2 B:TRP85 4.4 7.1 1.0 CD2 B:HIS81 4.4 9.4 1.0 O B:HOH2178 4.4 4.7 0.5 OE1 B:GLN205 4.5 7.8 1.0 CG B:GLU236 4.5 8.0 1.0 O B:HOH2177 4.7 10.3 1.0 O4 B:X2F701 4.8 7.7 1.0 CZ3 B:TRP85 4.9 8.4 1.0 CG B:HIS81 5.0 6.2 1.0

V.Ducros, S.J.Charnock, U.Derewenda, Z.S.Derewenda, Z.Dauter, C.Dupont, F.Shareck, R.Morosoli, D.Kluepfel, G.J.Davies. Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A J.Biol.Chem. V. 275 23020 2000.
ISSN: ISSN 0021-9258
PubMed: 10930426
DOI: 10.1074/JBC.M000129200