BMRB Entry 16457

Name: The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules
Published: 2010-03-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16457

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules

Deposition date:

2009-08-19

Original release date:

2010-03-08

Authors:

Simpson, Peter; Xie, Hefang; Bolam, David; Gilbert, Harry; Williamson, Michael

Citation:

Citation: Simpson, Peter; Xie, Hefang; Bolam, David; Gilbert, Harry; Williamson, Michael. "The Structurl Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules" J. Biol. Chem. 275, 41137-41142 (2000).
PubMed: 10973978

Assembly members:

Assembly members:
CBM2b_R262G, polymer, 84 residues, Formula weight is not available
CELLOHEXAOSE, non-polymer, 990.859 Da.

Natural source:

Natural source: Common Name: Cellulomonas fimi Taxonomy ID: 1708 Superkingdom: Bacteria Kingdom: not available Genus/species: Cellulomonas fimi

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CBM2b_R262G: STGCSVTATRAEEWSDGFNV TYSVSGSSAWTVNLALNGSQ TIQASWNANVTGSGSTRTVT PNGSGNTVMKNGSSTTPAAT CAGS

Data sets:

binding_constants

Data type	Count
binding constants	8

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CBM2b R262G	1
2	cellohexaose	2

Entities:

Entity 1, CBM2b R262G 84 residues - Formula weight is not available

1

SER

THR

GLY

CYS

SER

VAL

THR

ALA

THR

ARG

2

ALA

GLU

TRP

SER

ASP

GLY

PHE

ASN

VAL

3

THR

TYR

SER

VAL

SER

GLY

SER

ALA

TRP

4

THR

VAL

ASN

LEU

ALA

LEU

ASN

GLY

SER

GLN

5

THR

ILE

GLN

ALA

SER

TRP

ASN

ALA

ASN

VAL

6

THR

GLY

SER

GLY

SER

THR

ARG

THR

VAL

THR

7

PRO

ASN

GLY

SER

GLY

ASN

THR

VAL

MET

LYS

8

ASN

GLY

SER

THR

PRO

ALA

THR

9

CYS

ALA

GLY

SER

Entity 2, cellohexaose - C36 H62 O31 - 990.859 Da.

1

CE6

Samples:

sample_1: CBM2b R262G, [U-15N], 100 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%

sample_2: CBM2b R262G, [U-15N], 100 uM; cellohexaose 50 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%

sample_3: CBM2b R262G, [U-15N], 100 uM; cellohexaose 200 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%

sample_4: CBM2b R262G, [U-15N], 100 uM; cellohexaose 800 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%

sample_5: CBM2b R262G, [U-15N], 100 uM; cellohexaose 2 mM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%

sample_6: CBM2b R262G, [U-15N], 100 uM; cellohexaose 4 mM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%

sample_7: CBM2b R262G, [U-15N], 100 uM; cellohexaose 9.5 mM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_5	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_6	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_7	isotropic	sample_conditions_1

Software:

EXCEL v5.0, (Microsoft Corporation) - data fitting

X-PLOR, Brunger - structure solution

NMR spectrometers:

Bruker DRX 800 MHz