BMRB Entry 51411

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51411

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Title:
1H, 13C and 15N backbone chemical Shift assignments of the extracellular region of human PD-L1 (residues 19-239)
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, 221 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 GGADYKRITVKVNAPYNKIN QRILVVDPVTSEHELTCQAE GYPKAEVIWTSSDHQVLSGK TTTTNSKREEKLFNVTSTLR INTTTNEIFYCTFRRLDPEE NHTAELVIPELPLAHPPNER T

Data sets:
Data typeCount
13C chemical shifts509
15N chemical shifts168
1H chemical shifts168

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1PD-L1_D1D21

Entities:

Entity 1, PD-L1_D1D2 221 residues - Formula weight is not available

1   PHETHRVALTHRVALPROLYSASPLEUTYR
2   VALVALGLUTYRGLYSERASNMETTHRILE
3   GLUCYSLYSPHEPROVALGLULYSGLNLEU
4   ASPLEUALAALALEUILEVALTYRTRPGLU
5   METGLUASPLYSASNILEILEGLNPHEVAL
6   HISGLYGLUGLUASPLEULYSVALGLNHIS
7   SERSERTYRARGGLNARGALAARGLEULEU
8   LYSASPGLNLEUSERLEUGLYASNALAALA
9   LEUGLNILETHRASPVALLYSLEUGLNASP
10   ALAGLYVALTYRARGCYSMETILESERTYR
11   GLYGLYALAASPTYRLYSARGILETHRVAL
12   LYSVALASNALAPROTYRASNLYSILEASN
13   GLNARGILELEUVALVALASPPROVALTHR
14   SERGLUHISGLULEUTHRCYSGLNALAGLU
15   GLYTYRPROLYSALAGLUVALILETRPTHR
16   SERSERASPHISGLNVALLEUSERGLYLYS
17   THRTHRTHRTHRASNSERLYSARGGLUGLU
18   LYSLEUPHEASNVALTHRSERTHRLEUARG
19   ILEASNTHRTHRTHRASNGLUILEPHETYR
20   CYSTHRPHEARGARGLEUASPPROGLUGLU
21   ASNHISTHRALAGLULEUVALILEPROGLU
22   LEUPROLEUALAHISPROPROASNGLUARG
23   THR

Samples:

sample_1: PD-L1_D1D2, [U-13C; U-15N; U-2H], 240 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: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D TROSY-HNCOsample_1isotropicsample_conditions_1
3D TROSY-HNCACBsample_1isotropicsample_conditions_1
3D TROSY-HN(CO)CACBsample_1isotropicsample_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

Related Database Links:

UniProt Q9NZQ7
AlphaFold Q9NUZ5

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks