BMRB Entry 36207

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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/BMR36207
MolProbity Validation Chart

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Title:
The NMR Structure of the Polysialyltranseferase Domain (PSTD) in Polysialyltransferase ST8siaIV
Deposition date:
2018-08-21
Original release date:
2018-12-19
Authors:
Liu, X.; Lu, B.; Peng, L.; Liao, S.; Zhou, F.; Chen, D.; Lu, Z.; Zhou, G.; Huang, R.
Citation:

Citation: Peng, Li-Xin; Liu, Xue-Hui; Lu, Bo; Liao, Si-Ming; Zhou, Feng; Huang, Ji-Min; Chen, Dong; Troy, Frederic; Zhou, Guo-Ping; Huang, Ri-Bo. "The Inhibition of Polysialyltranseferase ST8SiaIV Through Heparin Binding to Polysialyltransferase Domain (PSTD)"  Med. Chem. 15, 486-495 (2019).
PubMed: 30569872

Assembly members:

Assembly members:
entity_1, polymer, 35 residues, 4128.011 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: LKNKLKVRTAYPSLRLIHAV RGYWLTNKVPIKRPS

Data sets:
Data typeCount
13C chemical shifts119
15N chemical shifts32
1H chemical shifts255

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 35 residues - 4128.011 Da.

1   LEULYSASNLYSLEULYSVALARGTHRALA
2   TYRPROSERLEUARGLEUILEHISALAVAL
3   ARGGLYTYRTRPLEUTHRASNLYSVALPRO
4   ILELYSARGPROSER

Samples:

sample_1: pstd_35aa 1 mM; PBS 20 mM; trifluoroethanol, deturated expect hydroxyl group, 25 % v/v; D2O, [U-2H], 10 % v/v; H2O 65 % v/v

sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCTOXYsample_1isotropicsample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

CcpNMR, CCPN - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMRJ v3.2, Agilent - collection

NMR spectrometers:

  • Agilent DD2 800MHz 800 MHz

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