BMRB Entry 17052

Name: Nuclear Magnetic Resonane Structural and Ligand Binding Studies of BLBC, a Two-Domain Fragment of Barley Lectin
Published: 2010-09-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17052

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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:

Nuclear Magnetic Resonane Structural and Ligand Binding Studies of BLBC, a Two-Domain Fragment of Barley Lectin

Deposition date:

2010-07-13

Original release date:

2010-09-08

Authors:

Weaver, Jeanne; Prestegard, J.

Citation:

Citation: Weaver, Jeanne; Prestegard, J.. "Nuclear Magnetic Resonance Structural and Ligand Binding Studies of BLBC, a Two-Domain Fragment of Barley Lectin" Biochemistry 37, 116-128 (1998).
PubMed: 9425031

Assembly members:

Assembly members:
BLBC, polymer, 89 residues, Formula weight is not available
CTO, non-polymer, 627.593 Da.

Natural source:

Natural source: Common Name: barley Taxonomy ID: 4513 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Hordeum vulgare

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMAL-p2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BLBC: TSKRCGTQAGGKTCPNNHCC SQWGYCGFGAEYCGAGCQGG PCRADIKCGSQAGGKLCPNN LCCSQWGYCGLGSEFCGEGC QGGACSTDK

Data sets:

binding constants

Data type	Count
binding constants	2

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BLBC	1
2	CTO	2

Entities:

Entity 1, BLBC 89 residues - Formula weight is not available

1

THR

SER

LYS

ARG

CYS

GLY

THR

GLN

ALA

GLY

2

GLY

LYS

THR

CYS

PRO

ASN

HIS

CYS

3

SER

GLN

TRP

GLY

TYR

CYS

GLY

PHE

GLY

ALA

4

GLU

TYR

CYS

GLY

ALA

GLY

CYS

GLN

GLY

5

PRO

CYS

ARG

ALA

ASP

ILE

LYS

CYS

GLY

SER

6

GLN

ALA

GLY

LYS

LEU

CYS

PRO

ASN

7

LEU

CYS

SER

GLN

TRP

GLY

TYR

CYS

GLY

8

LEU

GLY

SER

GLU

PHE

CYS

GLY

GLU

GLY

CYS

9

GLN

GLY

ALA

CYS

SER

THR

ASP

LYS

Entity 2, CTO - C24 H41 N3 O16 - 627.593 Da.

1

CTO

Samples:

sample_1: potassium phosphate 0.1 M; sodium chloride 0.15 mM; sodium azide 0.1%; BLBC, [U-98% 15N], 1.24 mM; CTO 32 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

FELIX v95, Accelrys Software Inc. - processing

HYDRO, (Gacia de la Torre, J., Navarro, S., Lopez Martinez, M., Diaz, F., & Lopez Cascales, J, 1994) - calculation execution

X-PLOR v3.840, Brunger - structure solution

Molmol, Koradi, Billeter and Wuthrich - visualization

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - angle comparison

NMR spectrometers:

Omega n/a 500 MHz
Varian Unity 500 MHz
Varian UnityPlus 600 MHz