Analysis of the dynamic properties of Bacillus circulans xylanase upon formation
of a covalent glycosyl-enzyme intermediate

Referenced to 2.9 M NH4Cl in 1 M HCl at 29.43 ppm. This yields 15N shifts 1.6 ppm
greater than obtained using liquid NH3

HN, N, CA, and CB shifts for the free (apo) BCX, as originally reported in Plesniak,
Wakarchuk, and McIntosh, Protein Science, 5, 1118-1135, 1996

HN, N, CA, and CB shifts for BCX covalently modified with 2-deoxy-2fluoro-xylobiose
at Glu78 (2FXb-BCX). These shifts correspond to the primary reference of Connelly,
Withers, and McIntosh, Protein Science.

Original assignments reported in Plesniak, Wakarchuk and McIntosh, Protein Sceince,
5: 1118-1135 (1996)

Protein science : a publication of the Protein Society
Analysis of the dynamic properties of Bacillus circulans xylanase upon formation of a covalent glycosyl-enzyme intermediate.

Bacillus circulans xylanase (BCX) is a member of the family of low molecular
weight endo-beta-(1,4)-xylanases. The main-chain 1H, 13C, and 15N resonances of
this 20.4-kDa enzyme were assigned using heteronuclear NMR experiments recorded
on a combination of selectively and uniformly labeled protein samples. Using
chemical shift, NOE, J coupling, and amide hydrogen exchange information, 14
beta-strands, arranged in a network of three beta-sheets, and a single
alpha-helix were identified in BCX. The NMR-derived secondary structure and
beta-sheet topology agree closely with that observed in the crystal structure
of this protein. The HN of Ile 118 has a strongly upfield-shifted resonance at
4.03 ppm, indicative of a potential amide-aromatic hydrogen bond to the indole
ring of Trp 71. This interaction, which is conserved in all low molecular
weight xylanases of known structure, may play an important role in establishing
the active site conformation of these enzymes. Following hen egg white and
bacteriophage T4 lysozymes, B. circulans xylanase represents the third family
of beta-glycanases for which extensive NMR assignments have been reported.
These assignments provide the background for detailed studies of the mechanism
of carbohydrate recognition and hydrolysis by this bacterial xylanase.

Secondary structure and NMR assignments of Bacillus circulans xylanase.

Engineered Bacillus Bifunctional Enzyme Gluxyn-1

Mutational And Crystallographic Analyses Of The Active Site Residues Of The Bacillus Circulans Xylanase

Sugar Ring Distortion In The Glycosyl-Enzyme Intermediate Of A Family G11 XYLANASE

Hydrogen Bonding And Catalysis: An Unexpected Explanation For How A Single Amino Acid Substitution Can Change The Ph Optimum Of

Dissecting Electrostatic Interactions And The Ph-Dependent Activity Of A Family 11 Glycosidase

High-Resolution Structures Of Xylanases From B. Circulans And T. Harzianum Identify A New Folding Pattern And Implications For

Thermostabilization Of The Bacillus Circulans Xylanase, By The Introduction Of Disulfide Bonds

Crystal Structure Of A Mesophilic Xylanase A From Bacillus Subtilis 1a1

Crystal Structure Of The Triticum Xylanse Inhibitor-I In Complex With Bacillus Subtilis Xylanase

Crystal Structure Of An Engineered Uninhibited Bacillus Subtilis Xylanase In Free State

Crystal Structure Of An Engineered Uninhibited Bacillus Subtilis Xylanase In Substrate Bound State

Crystal Structure Of Bacillus Subtilis Family-11 Xylanase

Thermal Stabilization Of Bacillus Subtilis Family-11 Xylanase By Directed Evolution

Crystal Structure Of A Glycoside Hydrolase Family 11 Xylanase From Bacillus Subtilis In Complex With Xylotetraose

High Resolution Crystal Structure Of A Glycoside Hydrolase Family 11 Xylanase Of Bacillus Subtilis

A Glycoside Hydrolase Family 11 Xylanase With An Extended Thumb Region

Crystal Structure Of The Triticum Aestivum Xylanase Inhibitor-Iia In Complex With Bacillus Subtilis Xylanase

Crystal Structure Of The Bacillus Circulans Endo-beta-(1,4)-xylanase (bcx) E172h Mutant

Crystal Structure Of The Bacillus Circulans Endo-beta-(1,4)-xylanase (bcx) N35e Mutant

Crystal Structure Of The Bacillus Circulans Endo-beta-(1,4)-xylanase (bcx) N35h Mutant

Crystal Structure Of The Bacillus Circulans Endo-beta-(1,4)-xylanase (bcx) E172h Mutant With Glu78 Covalently Bonded To 2-deoxy

Crystal Structure Of The Bacillus Circulans Endo-beta-(1,4)-xylanase (bcx) N35e Mutant With Glu78 Covalently Bonded To 2-deoxy-

Crystal Structure Of The Bacillus Circulans Endo-beta-(1,4)-xylanase (bcx) N35h Mutant With Glu78 Covalently Bonded To 2-deoxy-

endo-1,4-beta-xylanase [Bacillus subtilis BEST7613]

endo-1,4-beta-xylanase [Bacillus subtilis BEST7003]

unnamed protein product [Bacillus circulans]

endo-1, 4-beta-xylanase [Bacillus sp. YA-14]

endo-1,4-beta-xylanase [Bacillus subtilis subsp. subtilis str. 168]

Chain A, Crystal Structure Of A Mesophilic Xylanase A From Bacillus Subtilis 1a1 [Bacillus subtilis E1]

xylanase (EC 3.2.1.8) [Bacillus subtilis]

1,4-beta-xylanase, partial [synthetic construct]

endo-1,4-beta-xylanase A [Bacillus subtilis subsp. subtilis str. 168]

MULTISPECIES: endo-1,4-beta-xylanase A [Bacillus]

endo-1,4-beta-xylanase A [Bacillus subtilis]

endo-1,4-beta-xylanase [Bacillus sp. JS]

RecName: Full=Endo-1,4-beta-xylanase; Short=Xylanase; AltName: Full=1,4-beta-D-xylan xylanohydrolase; Flags: Precursor

RecName: Full=Endo-1,4-beta-xylanase A; Short=Xylanase A; AltName: Full=1,4-beta-D-xylan xylanohydrolase A; Flags: Precursor