BMRB Entry 36748

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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/BMR36748
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
Solution structure of the Human Prostate stem cell antigen (PSCA), water-soluble domain
Deposition date:
2025-03-28
Original release date:
2026-06-06
Authors:
Kocharovskaya, M.; Paramonov, A.; Lyukmanova, E.; Shenkarev, Z.
Citation:

Citation: Shulepko, Mikhail; Che, Yuqi; Paramonov, Alexander; Kocharovskaya, Milita; Kulbatskii, Dmitrii; Ivanova, Anisia; Chugunov, Anton; Bychkov, Maxim; Kirichenko, Artem; Shenkarev, Zakhar; Kirpichnikov, Mikhail; Lyukmanova, Ekaterina. "Pro-Inflammatory Protein PSCA Is Upregulated in Neurological Diseases and Targets b2-Subunit-Containing nAChRs."  Biomolecules 15, .-. (2025).
PubMed: 41154610

Assembly members:

Assembly members:
Prostate stem cell antigen, polymer, 76 residues, 8356.525 Da.

Natural source:

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: not available   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pET22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Prostate stem cell antigen: MLLCYSCKAQVSNEDCLQVE NCTQLGEQCWTARIRAVGLL TVISKGCSLNCVDDSQDYYV GKKNITCCDTDLCNAS

Data sets:
Data typeCount
13C chemical shifts299
15N chemical shifts78
1H chemical shifts491

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 76 residues - 8356.525 Da.

1   METLEULEUCYSTYRSERCYSLYSALAGLN
2   VALSERASNGLUASPCYSLEUGLNVALGLU
3   ASNCYSTHRGLNLEUGLYGLUGLNCYSTRP
4   THRALAARGILEARGALAVALGLYLEULEU
5   THRVALILESERLYSGLYCYSSERLEUASN
6   CYSVALASPASPSERGLNASPTYRTYRVAL
7   GLYLYSLYSASNILETHRCYSCYSASPTHR
8   ASPLEUCYSASNALASER

Samples:

sample_1: PSCA, [U-13C; U-15N], 0.07 ± 0.01 mM; H2O 95%; D2O, [U-2H], 5%

sample_2: PSCA 0.17 ± 0.01 mM; H2O 95%; D2O, [U-2H], 5%

sample_3: PSCA 0.17 ± 0.01 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_3isotropicsample_conditions_1

Software:

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation

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

CARA v1.8, Keller and Wuthrich - data analysis

TopSpin v3.2, Bruker Biospin - collection

CARA v1.8, Keller and Wuthrich - peak picking

MddNMR, Orekhov, Jaravine and Kazimierczuk - processing

TopSpin, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE III 600 MHz
  • Bruker AVANCE III 800 MHz

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