BMRB Entry 51412

Name: 1H, 13C and 15N Backbone Chemical Shift Assignments of the N-terminal IgV-like domain of human PD-L1 (residues 19-134)
Published: 2022-07-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51412

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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:

1H, 13C and 15N Backbone Chemical Shift Assignments of the N-terminal IgV-like domain of human PD-L1 (residues 19-134)

Deposition date:

2022-04-25

Original release date:

2022-07-03

Authors:

Walker, Kayleigh; Waters, Lorna; Kelly, Geoff; Muskett, Frederick; Carr, Mark

Citation:

Citation: Walker, Kayleigh; Waters, Lorna; Kelly, Geoff; Muskett, Frederick; Carr, Mark. "Sequence-specific 1 H, 13 C and 15 N backbone NMR assignments for the N-terminal IgV-like domain (D1) and full extracellular region (D1D2) of PD-L1" Biomol. NMR Assign. 16, 281-288 (2022).
PubMed: 35675028

Assembly members:

Assembly members:
entity_1, polymer, 116 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FTVTVPKDLYVVEYGSNMTI ECKFPVEKQLDLAALIVYWE MEDKNIIQFVHGEEDLKVQH SSYRQRARLLKDQLSLGNAA LQITDVKLQDAGVYRCMISY GGADYKRITVKVNAPY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	312
15N chemical shifts	102
1H chemical shifts	102

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PD-L1_D1	1

Entities:

Entity 1, PD-L1_D1 116 residues - Formula weight is not available

1

PHE

THR

VAL

THR

VAL

PRO

LYS

ASP

LEU

TYR

2

VAL

GLU

TYR

GLY

SER

ASN

MET

THR

ILE

3

GLU

CYS

LYS

PHE

PRO

VAL

GLU

LYS

GLN

LEU

4

ASP

LEU

ALA

LEU

ILE

VAL

TYR

TRP

GLU

5

MET

GLU

ASP

LYS

ASN

ILE

GLN

PHE

VAL

6

HIS

GLY

GLU

ASP

LEU

LYS

VAL

GLN

HIS

7

SER

TYR

ARG

GLN

ARG

ALA

ARG

LEU

8

LYS

ASP

GLN

LEU

SER

LEU

GLY

ASN

ALA

9

LEU

GLN

ILE

THR

ASP

VAL

LYS

LEU

GLN

ASP

10

ALA

GLY

VAL

TYR

ARG

CYS

MET

ILE

SER

TYR

11

GLY

ALA

ASP

TYR

LYS

ARG

ILE

THR

VAL

12

LYS

VAL

ASN

ALA

PRO

TYR

Samples:

sample_1: PD-L1_D1, [U-100% 13C; U-100% 15N], 190 uM; potassium phosphate 25 mM; sodium chloride 20 mM; EDTA 10 uM; sodium azide 0.02%

sample_conditions_1: ionic strength: 0.02 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - data analysis

TOPSPIN v3.5 - data collection

NMRPipe vlinux - data processing and NUS reconstruction

TALOS-N v4.01 - backbone dihedral angle prediction

NMR spectrometers:

Bruker AVANCE II 800 MHz
Bruker AVANCE III 950 MHz

UniProt	Q9NZQ7
AlphaFold	Q9NUZ5