BMRB Entry 4490

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PDB ID: 1qfd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4490
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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:

Solution structure of the major alpha-amylase inhibitor of the crop plant Amaranth

Deposition date:

1999-04-22

Original release date:

2000-07-05

Authors:

Lu, Shanyun; Deng, Pengchi; Liu, Xiucai; Luo, Jingchu; Han, Rushan; Gu, Xiaocheng; Liang, Songping; Wang, Xianchun; Li, Feng; Lozanov, Valentin; Patthy, Andras; Pongor, Sandor

Citation:

Citation: Lu, Shanyun; Deng, Pengchi; Liu, Xiucai; Luo, Jingchu; Han, Rushan; Gu, Xiaocheng; Liang, Songping; Wang, Xianchun; Li, Feng; Lozanov, Valentin; Patthy, Andras; Pongor, Sandor. "Solution structure of the major alpha-amylase inhibitor of the crop plant Amaranth" J. Biol. Chem. 274, 20473-20478 (1999).

Assembly members:

Assembly members:
alpha-amylase inhibitor, polymer, 32 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Amaranthus hypochondriacus Taxonomy ID: 28502 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Amaranthus hypochondriacus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
alpha-amylase inhibitor: CIPKWNRCGPKMDGVPCCEP YTCTSDYYGNCS

Data sets:

assigned_chemical_shifts
- chem_shift_set_1

Data type	Count
1H chemical shifts	62

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AAI	1

Entities:

Entity 1, AAI 32 residues - Formula weight is not available

1

CYS

ILE

PRO

LYS

TRP

ASN

ARG

CYS

GLY

PRO

2

LYS

MET

ASP

GLY

VAL

PRO

CYS

GLU

PRO

3

TYR

THR

CYS

THR

SER

ASP

TYR

GLY

ASN

4

CYS

SER

Samples:

sample_1: alpha-amylase inhibitor mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	not available	not available	not available
COSY	not available	not available	not available
TOCSY	not available	not available	not available
DQF-COSY	not available	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker AMX 500 MHz

BMRB	4404
PDB	1CLV 1HTX 1QFD
SWISS-PROT	P80403