BMRB Entry 52155

Name: Endo-b-1,4-xylanase (Xylanase A) D11F/R122D double mutant from Bacillus subtilis Lipari-Szabo order parameters and relaxation data
Published: 2023-10-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52155

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Endo-b-1,4-xylanase (Xylanase A) D11F/R122D double mutant from Bacillus subtilis Lipari-Szabo order parameters and relaxation data

Deposition date:

2023-09-28

Original release date:

2023-10-18

Authors:

MacDonald, Meagan

Citation:

Citation: MacDonald, Meagan; Wells, Nicholas; Hassan, Bakar; Dudley, Joshua; Walters, Kylie; Korzhnev, Dmitry; Aramini, James; Smith, Colin. "Effects of Xylanase A double mutation on substrate specificity and structural dynamics" J. Struct. Biol. 216, 108082-108082 (2024).
PubMed: 38438058

Assembly members:

Assembly members:
entity_1, polymer, 189 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMASTDYWQNWTFGGGIV NAVNGSGGNYSVNWSNTGNF VVGKGWTTGSPFRTINYNAG VWAPNGNGYLTLYGWTRSPL IEYYVVDSWGTYRPTGTYKG TVKSDGGTYDIYTTTRYNAP SIDGDDTTFTQYWSVRQSKR PTGSNATITFSNHVNAWKSH GMNLGSNWAYQVMATEGYQS SGSSNVTVW

Data sets:

heteronucl_NOEs
- heteronucl_NOEs_1
heteronucl_T1_relaxation
- heteronucl_T1_relaxation_1
heteronucl_T1rho_relaxation
- heteronucl_T1rho_relaxation_1
order_parameters
- order_parameters_1
theoretical_heteronucl_T2_relaxation
- theoretical_heteronucl_T2_relaxation_1

Data type	Count
T1 relaxation values	160
T1rho relaxation values	160
T2 relaxation values	160
heteronuclear NOE values	158
order parameters	155

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Xylanase A, D11F/R122D	1

Entities:

Entity 1, Xylanase A, D11F/R122D 189 residues - Formula weight is not available

1

GLY

SER

HIS

MET

ALA

SER

THR

ASP

TYR

TRP

2

GLN

ASN

TRP

THR

PHE

GLY

ILE

VAL

3

ASN

ALA

VAL

ASN

GLY

SER

GLY

ASN

TYR

4

SER

VAL

ASN

TRP

SER

ASN

THR

GLY

ASN

PHE

5

VAL

GLY

LYS

GLY

TRP

THR

GLY

SER

6

PRO

PHE

ARG

THR

ILE

ASN

TYR

ASN

ALA

GLY

7

VAL

TRP

ALA

PRO

ASN

GLY

ASN

GLY

TYR

LEU

8

THR

LEU

TYR

GLY

TRP

THR

ARG

SER

PRO

LEU

9

ILE

GLU

TYR

VAL

ASP

SER

TRP

GLY

10

THR

TYR

ARG

PRO

THR

GLY

THR

TYR

LYS

GLY

11

THR

VAL

LYS

SER

ASP

GLY

THR

TYR

ASP

12

ILE

TYR

THR

ARG

TYR

ASN

ALA

PRO

13

SER

ILE

ASP

GLY

ASP

THR

PHE

THR

14

GLN

TYR

TRP

SER

VAL

ARG

GLN

SER

LYS

ARG

15

PRO

THR

GLY

SER

ASN

ALA

THR

ILE

THR

PHE

16

SER

ASN

HIS

VAL

ASN

ALA

TRP

LYS

SER

HIS

17

GLY

MET

ASN

LEU

GLY

SER

ASN

TRP

ALA

TYR

18

GLN

VAL

MET

ALA

THR

GLU

GLY

TYR

GLN

SER

19

SER

GLY

SER

ASN

VAL

THR

VAL

TRP

Samples:

sample_1: XylA D11F/R122D, [U-100% 15N], 0.18 mM; sodium acetate 25 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10%; sodium azide 0.03%

sample_conditions_1: ionic strength: 0.05 M; pH: 5.7; pressure: 1 atm; temperature: 303.82 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N T1	sample_1	isotropic	sample_conditions_1
2D 1H-15N T1rho	sample_1	isotropic	sample_conditions_1
2D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

VNMRj - collection

NMRDraw - processing

FitNMR v0.6 - data analysis

FASTModelFree v1.3 - data analysis

NMR spectrometers:

Varian INOVA 800 MHz