Atomistry » Fluorine » PDB 3vrs-3wyk » 3vzo
Atomistry »
  Fluorine »
    PDB 3vrs-3wyk »
      3vzo »

Fluorine in PDB 3vzo: Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 2-Deoxy-2-Fluoro- Xylobiose

Enzymatic activity of Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 2-Deoxy-2-Fluoro- Xylobiose

All present enzymatic activity of Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 2-Deoxy-2-Fluoro- Xylobiose:
3.2.1.8;

Protein crystallography data

The structure of Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 2-Deoxy-2-Fluoro- Xylobiose, PDB code: 3vzo was solved by M.L.Ludwiczek, I.D'angelo, G.N.Yalloway, M.Okon, J.E.Nielsen, N.C.Strynadka, S.G.Withers, L.P.Mcintosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.40 / 1.73
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 53.226, 72.240, 43.394, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 2-Deoxy-2-Fluoro- Xylobiose (pdb code 3vzo). 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 Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 2-Deoxy-2-Fluoro- Xylobiose, PDB code: 3vzo:

Fluorine binding site 1 out of 1 in 3vzo

Go back to Fluorine Binding Sites List in 3vzo
Fluorine binding site 1 out of 1 in the Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 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 Crystal Structure of the Bacillus Circulans Endo-Beta-(1,4)-Xylanase (Bcx) N35H Mutant with GLU78 Covalently Bonded to 2-Deoxy-2-Fluoro- Xylobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:13.4
occ:1.00
F2 A:DFX201 0.0 13.4 1.0
C2 A:DFX201 1.4 12.7 1.0
C3 A:DFX201 2.4 13.9 1.0
C1 A:DFX201 2.4 12.4 1.0
OE2 A:GLU78 2.8 12.2 1.0
OE1 A:GLU78 2.9 11.6 1.0
O3 A:DFX201 2.9 13.6 1.0
CD A:GLU78 3.1 12.4 1.0
CD A:ARG112 3.1 24.2 1.0
CZ A:PHE125 3.1 14.4 1.0
NE2 A:GLN127 3.1 14.5 1.0
CE2 A:PHE125 3.2 13.2 1.0
O A:HOH342 3.5 18.4 1.0
O5 A:DFX201 3.7 13.4 1.0
C4 A:DFX201 3.7 13.6 1.0
NH1 A:ARG112 3.9 27.1 1.0
CG A:ARG112 3.9 19.9 1.0
C5 A:DFX201 4.0 13.8 1.0
CD A:GLN127 4.1 14.4 1.0
NE A:ARG112 4.3 24.8 1.0
CG A:GLU78 4.4 12.3 1.0
O4 A:DFX201 4.4 14.4 1.0
CE1 A:PHE125 4.5 12.0 1.0
O A:PRO116 4.5 16.1 1.0
CG A:GLN127 4.5 12.2 1.0
CZ A:ARG112 4.6 27.5 1.0
CD2 A:PHE125 4.6 13.4 1.0
CH2 A:TRP71 4.7 11.3 1.0
CB A:ARG112 4.7 17.7 1.0
CB A:GLU78 4.8 11.9 1.0
O A:HOH369 4.8 17.5 1.0
OH A:TYR80 4.9 12.1 1.0
CZ2 A:TRP71 4.9 12.2 1.0

Reference:

M.L.Ludwiczek, I.D'angelo, G.N.Yalloway, J.A.Brockerman, M.Okon, J.E.Nielsen, N.C.Strynadka, S.G.Withers, L.P.Mcintosh. Strategies For Modulating the pH-Dependent Activity of A Family 11 Glycoside Hydrolase Biochemistry V. 52 3138 2013.
ISSN: ISSN 0006-2960
PubMed: 23578322
DOI: 10.1021/BI400034M
Page generated: Sun Dec 13 11:57:25 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy