Fluorine in PDB 3vpl: Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase

All present enzymatic activity of Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase:
3.2.1.32;

The structure of Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase, PDB code: 3vpl was solved by N.Watanabe, K.Sakaguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.61 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.343, 75.437, 81.646, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 15.6

The binding sites of Fluorine atom in the Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase (pdb code 3vpl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase, PDB code: 3vpl:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:6.1 occ:1.00 F A:BXF1001 0.0 6.1 1.0 C2 A:BXF1001 1.4 5.5 1.0 C1 A:BXF1001 2.4 5.3 1.0 C3 A:BXF1001 2.4 5.2 1.0 OE1 A:GLU212 2.8 5.1 1.0 O3 A:BXF1001 2.9 5.6 1.0 OE2 A:GLU212 2.9 5.9 1.0 CE2 A:TYR115 3.0 5.0 1.0 CD A:GLU212 3.1 5.5 1.0 CD2 A:TYR115 3.2 5.1 1.0 C1B A:XYP1002 3.5 5.3 1.0 OE2 A:GLU116 3.5 7.0 1.0 O5 A:BXF1001 3.6 5.7 1.0 C4 A:BXF1001 3.7 5.8 1.0 O A:HOH1128 3.7 7.5 1.0 OH A:TYR39 3.8 5.7 1.0 O A:HOH1592 3.9 15.4 1.0 CD A:GLU116 3.9 6.0 1.0 C5 A:BXF1001 4.1 6.5 1.0 O2B A:XYP1002 4.1 5.7 1.0 CE1 A:TYR39 4.2 5.4 1.0 CZ A:TYR115 4.2 4.8 1.0 CG A:GLU116 4.4 6.5 1.0 C2B A:XYP1002 4.4 5.3 1.0 CG A:GLU212 4.4 5.3 1.0 CZ A:TYR39 4.4 5.2 1.0 CG A:TYR115 4.5 5.0 1.0 OE1 A:GLU116 4.5 6.6 1.0 NH2 A:ARG112 4.5 5.7 1.0 O5B A:XYP1002 4.5 5.8 1.0 O A:HOH1225 4.5 13.3 1.0 O4 A:BXF1005 4.6 10.8 0.5 O4 A:BXF1001 4.8 6.3 1.0 OH A:TYR115 4.8 5.9 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase within 5.0Å range: probe atom residue distance (Å) B Occ A:F1005 b:9.8 occ:0.50 F A:BXF1005 0.0 9.8 0.5 C2 A:BXF1005 1.3 8.7 0.5 C1 A:BXF1005 2.3 9.5 0.5 C3 A:BXF1005 2.3 8.3 0.5 O1 A:DNX1004 2.8 8.9 0.5 O3 A:BXF1005 2.9 8.8 0.5 C1B A:XYP1006 3.1 9.4 0.5 O2B A:XYP1006 3.2 12.5 0.5 O5 A:BXF1005 3.5 7.9 0.5 O A:HOH1559 3.5 18.9 1.0 C4 A:BXF1005 3.7 8.2 0.5 C2B A:XYP1006 3.7 10.5 0.5 OE1 A:GLU284 3.9 16.5 1.0 C1 A:DNX1004 4.0 9.4 0.5 C5 A:BXF1005 4.1 10.0 0.5 O5B A:XYP1006 4.4 9.7 0.5 CD A:GLU284 4.6 16.1 1.0 CB A:TRP121 4.7 7.1 1.0 C6 A:DNX1004 4.7 7.7 0.5 O A:HOH1190 4.7 12.8 1.0 CG A:GLU284 4.7 12.5 1.0 CG A:TRP121 4.7 6.9 1.0 C3B A:XYP1006 4.8 12.0 0.5 CB A:GLU284 4.8 9.3 1.0 NH2 A:ARG277 4.8 13.0 0.5 CD1 A:TRP121 4.9 7.0 1.0 C2 A:DNX1004 4.9 10.8 0.5 O4 A:BXF1005 5.0 10.8 0.5

K.Sakaguchi, E.D.Goddard-Borger, T.Kawamura, M.Kiyohara, I.Tanaka, M.Ito, S.G.Withers, N.Watanabe. The Crystal Structure of A 2-Fluoroxylotriosyl Complex of the Vibrio Sp. Ax-4 Beta-1,3-Xylanase at 1.2 A Resolution To Be Published.