BMRB Entry 34470

Name: Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain
Published: 2021-01-06

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PDB ID: 6tt6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34470
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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:

Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain

Deposition date:

2019-12-23

Original release date:

2021-01-06

Authors:

Guardiola, S.; Varese, M.; Garcia, J.; Giralt, E.

Citation:

Citation: Guardiola, S.; Varese, M.; Garcia, J.; Giralt, E.. "Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain" .

Assembly members:

Assembly members:
entity_1, polymer, 8 residues, 1030.133 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: WXVXEAXD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	34
1H chemical shifts	56

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 8 residues - 1030.133 Da.

1

TRP

DTR

VAL

DPR

GLU

ALA

DLY

ASP

Samples:

sample_1: potassium phosphate 25 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 125 mM; pH: 6.4; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

NMR spectrometers:

Bruker AVANCE 800 MHz