BMRB Entry 25964

Name: Structure of human islet amyloid polypeptide in complex with an engineered binding protein
Published: 2017-08-25

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25964

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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:

Structure of human islet amyloid polypeptide in complex with an engineered binding protein

Deposition date:

2016-01-26

Original release date:

2017-08-25

Authors:

Mirecka, Ewa; Feuerstein, Sophie; Stoldt, Matthias; Willbold, Dieter; Hoyer, Wolfgang

Citation:

Citation: Mirecka, Ewa; Feuerstein, Sophie; Gremer, Lothar; Schroder, Gunnar; Stoldt, Matthias; Willbold, Dieter; Hoyer, Wolfgang. "beta-Hairpin of Islet Amyloid Polypeptide Bound to an Aggregation Inhibitor" Sci. Rep. 6, 33474-33474 (2016).
PubMed: 27641459

Assembly members:

Assembly members:
ISLET_AMYLOID_POLYPEPTIDE, polymer, 37 residues, 3908.322 Da.
HI18, polymer, 59 residues, 6531.2314 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET302

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ISLET_AMYLOID_POLYPEPTIDE: KCNTATCATQRLANFLVHSS NNFGAILSSTNVGSNTY
HI18: VDNKFNKEMESAGGEIVYLP NLNPDQLCAFIHSIHDDPSQ SANLLAEAKKLNDAQAPKW

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	354
15N chemical shifts	121
1H chemical shifts	565

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ISLET AMYLOID POLYPEPTIDE	1
2	HI18, 1	2
3	HI18, 2	2

Entities:

Entity 1, ISLET AMYLOID POLYPEPTIDE 37 residues - 3908.322 Da.

1

LYS

CYS

ASN

THR

ALA

THR

CYS

ALA

THR

GLN

2

ARG

LEU

ALA

ASN

PHE

LEU

VAL

HIS

SER

3

ASN

PHE

GLY

ALA

ILE

LEU

SER

THR

4

ASN

VAL

GLY

SER

ASN

THR

TYR

Entity 2, HI18, 1 59 residues - 6531.2314 Da.

1

VAL

ASP

ASN

LYS

PHE

ASN

LYS

GLU

MET

GLU

2

SER

ALA

GLY

GLU

ILE

VAL

TYR

LEU

PRO

3

ASN

LEU

ASN

PRO

ASP

GLN

LEU

CYS

ALA

PHE

4

ILE

HIS

SER

ILE

HIS

ASP

PRO

SER

GLN

5

SER

ALA

ASN

LEU

ALA

GLU

ALA

LYS

6

LEU

ASN

ASP

ALA

GLN

ALA

PRO

LYS

TRP

Samples:

sample_1: ISLET AMYLOID POLYPEPTIDE, [U-13C; U-15N], 0.40 mM; HI18 0.96 mM; sodium phosphate 20 mM

sample_2: ISLET AMYLOID POLYPEPTIDE 0.48 mM; HI18, [U-13C; U-15N], 0.80 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC	sample_1	solution	sample_conditions_1
HNCA	sample_1	solution	sample_conditions_1
HNHA	sample_1	solution	sample_conditions_1
HNCACB	sample_1	solution	sample_conditions_1
1H-15N NOESY	sample_1	solution	sample_conditions_1
HNCO	sample_1	solution	sample_conditions_1
HCCH COSY	sample_1	solution	sample_conditions_1
1H-13C NOESY	sample_1	solution	sample_conditions_1
1H-15N HSQC	sample_2	solution	sample_conditions_1
HNCA	sample_2	solution	sample_conditions_1
HNHA	sample_2	solution	sample_conditions_1
HNCACB	sample_2	solution	sample_conditions_1
1H-15N NOESY	sample_2	solution	sample_conditions_1
HCCH COSY	sample_2	solution	sample_conditions_1
1H-13C NOESY	sample_2	solution	sample_conditions_1

Software:

CcpNmr Analysis v2.4, CCPN - chemical shift assignment

NMRPipe vv7.9.2013.021.23.09, NIH - chemical shift assignment

TALOS-N v4.12, NIH - chemical shift assignment

VnmrJ vv3.2, Varian - chemical shift assignment

NMR spectrometers:

Varian VNMRS 800 MHz
Varian VNMRS 900 MHz

UNP	IAPP_HUMAN
PDB	5FSF
AlphaFold	Q14598