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BMRB: 25964

5K5G

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

Authors

Mirecka, E.A., Feuerstein, S., Stoldt, M., Willbold, D., Hoyer, W.

Assembly

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

Entity

1. ISLET AMYLOID POLYPEPTIDE (polymer, Thiol state: all disulfide bound), 37 monomers, 3906.277 Da Detail

KCNTATCATQ RLANFLVHSS NNFGAILSST NVGSNTY

2. HI18 (polymer, Thiol state: all disulfide bound), 59 monomers, 6537.215 × 2 Da Detail

VDNKFNKEME SAGGEIVYLP NLNPDQLCAF IHSIHDDPSQ SANLLAEAKK LNDAQAPKW

Total weight

16980.707 Da

Max. entity weight

6537.215 Da

Source organism

Homo sapiens , synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.5 %, Completeness: 55.8 %, Completeness (bb): 71.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	55.8 % (602 of 1078)	52.5 % (292 of 556)	56.2 % (232 of 413)	71.6 % (78 of 109)
Backbone	71.0 % (403 of 568)	72.9 % (140 of 192)	65.8 % (187 of 284)	82.6 % (76 of 92)
Sidechain	45.0 % (271 of 602)	41.8 % (152 of 364)	52.9 % (117 of 221)	11.8 % (2 of 17)
Aromatic	12.5 % (10 of 80)	22.5 % (9 of 40)	0.0 % (0 of 39)	100.0 % (1 of 1)
Methyl	80.0 % (80 of 100)	82.0 % (41 of 50)	78.0 % (39 of 50)

1. ISLET AMYLOID POLYPEPTIDE

KCNTATCATQ RLANFLVHSS NNFGAILSST NVGSNTY

2. HI18

VDNKFNKEME SAGGEIVYLP NLNPDQLCAF IHSIHDDPSQ SANLLAEAKK LNDAQAPKW

Show sample condition

Sample

Solvent system 93% water/7% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.000, Details 0.4 mmol/l

#	Name	Isotope labeling	Concentration
1	ISLET AMYLOID POLYPEPTIDE	[U-13C; U-15N]	0.40 mM
2	HI18	natural abundance	0.96 mM
3	sodium phosphate	natural abundance	20 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	HDO	protons	4.779 ppm	internal	indirect	0.251
¹H	HDO	protons	4.779 ppm	internal	direct	1.0
¹⁵N	HDO	protons	4.779 ppm	internal	indirect	0.101

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	HDO	protons	4.779 ppm	internal	indirect	0.251
¹H	HDO	protons	4.779 ppm	internal	direct	1.0
¹⁵N	HDO	protons	4.779 ppm	internal	indirect	0.101

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	HDO	protons	4.779 ppm	internal	indirect	0.251
¹H	HDO	protons	4.779 ppm	internal	direct	1.0
¹⁵N	HDO	protons	4.779 ppm	internal	indirect	0.101

Referencing offset: 0.06 ppm, Outliers: 1 Detail

Release date

2016-01-25

Citation

β-Hairpin of Islet Amyloid Polypeptide Bound to an Aggregation Inhibitor
Mirecka, E.A., Feuerstein, S., Gremer, L., Schroder, G.F., Stoldt, M., Willbold, D., Hoyer, W.
Sci. Rep. (2016), 6, 33474-33474, PubMed 27641459 , DOI 10.1038/srep33474 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 30099 released on 2016-09-21
Title Structure of human islet amyloid polypeptide in complex with an engineered binding protein

Related entities 1. ISLET AMYLOID POLYPEPTIDE, : 6 : 3 : 7 entities Detail

Related entities 2. HI18, : 1 : 151 entities Detail

Experiments performed 15 experiments Detail

1 1H-15N HSQC