BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30445

Title: The NMR solution structure of CCL28   PubMed: 29913161

Deposition date: 2018-03-30 Original release date: 2018-06-26

Authors: Thomas, M.; Peterson, F.; Volkman, B.

Citation: Thomas, M.; He, J.; Peterson, F.; Suppler, A.; Volkman, B.. "The Solution Structure of CCL28 Reveals Structural Lability that Does Not Constrain Antifungal Activity."  J. Mol. Biol. 430, 3266-3282 (2018).

Assembly members:
entity_1, polymer, 108 residues, 12394.421 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Aphyosemion etsamense

Entity Sequences (FASTA):
entity_1: SEAILPIASSCCTEVSHHIS RRLLERVNMCRIQRADGDCD LAAVILHVKRRRICVSPHNH TVKQWMKVQAAKKNGKGNVC HRKKHHGKRNSNRAHQGKHE TYGHKTPY

Data typeCount
13C chemical shifts434
15N chemical shifts111
1H chemical shifts701

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 108 residues - 12394.421 Da.

1   SERGLUALAILELEUPROILEALASERSER
2   CYSCYSTHRGLUVALSERHISHISILESER
3   ARGARGLEULEUGLUARGVALASNMETCYS
4   ARGILEGLNARGALAASPGLYASPCYSASP
5   LEUALAALAVALILELEUHISVALLYSARG
6   ARGARGILECYSVALSERPROHISASNHIS
7   THRVALLYSGLNTRPMETLYSVALGLNALA
8   ALALYSLYSASNGLYLYSGLYASNVALCYS
9   HISARGLYSLYSHISHISGLYLYSARGASN
10   SERASNARGALAHISGLNGLYLYSHISGLU
11   THRTYRGLYHISLYSTHRPROTYR

Samples:

sample_1: CCL28, [U-99% 13C; U-99% 15N], 0.7 mM; MES, [U-99% 2H], 25 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 15 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.6, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY, Bartels et al. - data analysis

GARANT, Bartels, Guntert, Billeter and Wuthrich - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization

NMR spectrometers:

  • Bruker DRX 600.13 MHz

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