BMRB Entry 30479

Name: NMR solution structure of Acan1 from the Ancylostoma caninum hookworm
Published: 2019-06-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30479

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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: NMR solution structure of Acan1 from the Ancylostoma caninum hookworm

Deposition date: 2018-06-11 Original release date: 2019-06-13

Authors: Smallwood, T.; Rosengren, K.; Clark, R.

Citation: Smallwood, T.; Rosengren, K.; Clak, R.. "NMR solution structure of Acan1 from the Ancylostoma caninum hookworm" . ., .-..

Assembly members:
entity_1, polymer, 41 residues, 4641.169 Da.

Natural source: Common Name: dog hookworm Taxonomy ID: 29170 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ancylostoma caninum

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: EHCADEKNFDCRRSLRNGDC DNDDKLLEMGYYCPVTCGFC X

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	76
15N chemical shifts	34
1H chemical shifts	230

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 41 residues - 4641.169 Da.

1

GLU

HIS

CYS

ALA

ASP

GLU

LYS

ASN

PHE

ASP

2

CYS

ARG

SER

LEU

ARG

ASN

GLY

ASP

CYS

3

ASP

ASN

ASP

LYS

LEU

GLU

MET

GLY

4

TYR

CYS

PRO

VAL

THR

CYS

GLY

PHE

CYS

5

NH2

Samples:

sample_1: Acan1 1 mg/mL

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - collection, processing

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts