BMRB Entry 36425

Name: Ny-Hydroxyasparagine: A Multifunctional Unnatural Amino Acid That is a Good P1 Substrate of Asparaginyl Peptide Ligases
Published: 2025-11-01

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PDB ID: 7f32
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36425
MolProbity Validation Chart

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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:

Ny-Hydroxyasparagine: A Multifunctional Unnatural Amino Acid That is a Good P1 Substrate of Asparaginyl Peptide Ligases

Deposition date:

2021-06-15

Original release date:

2025-11-01

Authors:

Xia, Y.; Liu, C.

Citation:

Citation: Xia, Yiyin; To, Janet; Chan, Ning-Yu; Hu, Side; Liew, Heng; Balamkundu, Seetharamsing; Zhang, Xiaohong; Lescar, Julien; Bhattacharjya, Surajit; Tam, James; Liu, Chuan-Fa. "N(g) -Hydroxyasparagine: A Multifunctional Unnatural Amino Acid That is a Good P1 Substrate of Asparaginyl Peptide Ligases." Angew. Chem Int Ed Engl. 60, 22207-22211 (2021).
PubMed: 34396662

Assembly members:

Assembly members:
SYCNCLCRRGVCRCICTI, polymer, 18 residues, 2069.568 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 9544 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Macaca mulatta

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SYCNCLCRRGVCRCICTI: SYCNCLCRRGVCRCICTI

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	113

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 18 residues - 2069.568 Da.

1

SER

TYR

CYS

ASN

CYS

LEU

CYS

ARG

GLY

2

VAL

CYS

ARG

CYS

ILE

CYS

THR

ILE

Samples:

sample_1: ASN(OH)-RTD1 0.5 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0 Not defined; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMRFAM-SPARKY, Lee et al. Bioinformatics 2015 Apr; 31(8):1325-7 - chemical shift assignment

NMRFAM-SPARKY, Lee et al. Bioinformatics 2015 Apr; 31(8):1325-7 - peak picking

PREDITOR, M. V. Berjanskii, S. Neal, D. S. Wishart, Nucleic Acids Res., 2006, 34, W63-W69. - structure calculation

NMR spectrometers:

Bruker AVANCE 600 MHz