BMRB Entry 7078

Name: 1H Chemical Shift Assigments for a Potent Bowman-Birk Inhibitor from Lentil seeds
Published: 2006-09-08

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PDB ID: 2aih
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7078
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H Chemical Shift Assigments for a Potent Bowman-Birk Inhibitor from Lentil seeds

Deposition date:

2006-04-19

Original release date:

2006-09-08

Authors:

Ragg, Enzio; Galbusera, Valerio; Scarafoni, Alessio; Negri, Armando; Tedeschi, Gabriella; Consonni, Alessandro; Sessa, Fabio; Duranti, Marcello

Citation:

Citation: Ragg, Enzio; Galbusera, Valerio; Scarafoni, Alessio; Negri, Armando; Tedeschi, Gabriella; Consonni, Alessandro; Sessa, Fabio; Duranti, Marcello. "Inhibitory Properties and Solution Structure of a Potent Bowman-Birk Protease Inhibitor from Lentil (Lens culinaris, L.) Seeds" FEBS J. 273, 4024-4039 (2006).
PubMed: 16889634

Assembly members:

Assembly members:
Bowman-Birk Inhibitor, polymer, 67 residues, 7448 Da.

Natural source:

Natural source: Common Name: lentil Taxonomy ID: 3864 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Lens culinaris

Experimental source:

Experimental source: Production method: Purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bowman-Birk Inhibitor: GDDVKSACCDTCLCTRSQPP TCRCVDVRESCHSACDKCVC AYSNPPQCQCYDTHKFCYKA CHNSEIE

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
1H chemical shifts	417

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LCTI monomer	1

Entities:

Entity 1, LCTI monomer 67 residues - 7448 Da.

1

GLY

ASP

VAL

LYS

SER

ALA

CYS

ASP

2

THR

CYS

LEU

CYS

THR

ARG

SER

GLN

PRO

3

THR

CYS

ARG

CYS

VAL

ASP

VAL

ARG

GLU

SER

4

CYS

HIS

SER

ALA

CYS

ASP

LYS

CYS

VAL

CYS

5

ALA

TYR

SER

ASN

PRO

GLN

CYS

GLN

CYS

6

TYR

ASP

THR

HIS

LYS

PHE

CYS

TYR

LYS

ALA

7

CYS

HIS

ASN

SER

GLU

ILE

GLU

Samples:

sample_1: Bowman-Birk Inhibitor 1 ± 0.1 mM; D2O 10%; H2O 90%

sample_2: Bowman-Birk Inhibitor 1 ± 0.1 mM; D2O 100%

conditions_1: ionic strength: 3 mM; pH: 3.1; temperature: 298 K

conditions_2: ionic strength: 3.0 mM; pH*: 3.1; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	conditions_1
TOCSY	sample_1	not available	conditions_1
COSY-DQF	sample_1	not available	conditions_2

Software:

xwinnmr v2.6, Bruker Spectrospin - acquisition and processing

SPARKY v3.106, UCSF - assignment and cross-peak integration

NMR spectrometers:

Bruker Spectrospin AMX-600 600 MHz

PDB	2AIH
EMBL	CAR47883
GB	AFN85540
SP	Q8W4Y8
AlphaFold	Q8W4Y8