BMRB Entry 30978

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30978
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Title:
Structural characterization of the biological synthetic peptide pCEMP1
Deposition date:
2021-12-21
Original release date:
2023-01-10
Authors:
Lopez, A.; del Rio Portilla, F.; Nidome, M.; Romo, E.; Arzate, H.
Citation:

Citation: Campos, Mikado Nidome; Giraldo, Estefania Lopez; Del Rio Portilla, Federico; Fernandez-Velasco, Daniel Alejandro; Arzate, Higinio; Romo-Arevalo, Enrique. "Solution NMR structure of cementum protein 1 derived peptide (CEMP1-p1) and its role in the mineralization process"  J. Pept. Sci. ., e3494-e3494 (2023).
PubMed: 37051739

Assembly members:

Assembly members:
entity_1, polymer, 20 residues, 2114.218 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGTSSTDSQQAGHRRCSTSN

Data sets:
Data typeCount
1H chemical shifts99

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 20 residues - 2114.218 Da.

1   METGLYTHRSERSERTHRASPSERGLNGLN
2   ALAGLYHISARGARGCYSSERTHRSERASN

Samples:

sample_1: pCEMP-1 1 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.8, Keller and Wuthrich - chemical shift assignment, peak picking

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

NMR spectrometers:

  • Bruker AVANCE II 700 MHz