BMRB Entry 30118

Title:
Solution Structure of a repacked version of HIF-2 alpha PAS-B (CASP target)
Deposition date:
2016-06-17
Original release date:
2016-08-11
Authors:
Correa, Fernando; Key, Jason; Kuhlman, Brian; Gardner, Kevin
Citation:

Citation: Correa, Fernando; Key, Jason; Kuhlman, Brian; Gardner, Kevin. "Computational Repacking of HIF-2 alpha Cavity Replaces Water-Based Stabilized Core"  Structure 24, 1918-1927 (2016).
PubMed: 27667693

Assembly members:

Assembly members:
Endothelial PAS domain-containing protein 1, polymer, 114 residues, 13264.091 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: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts505
15N chemical shifts122
1H chemical shifts817

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 114 residues - 13264.091 Da.

1   GLYGLUPHELEUASPSERLYSTHRPHELEU
2   SERARGPHESERMETASPMETLYSPHETHR
3   TYRCYSASPASPARGILETHRGLULEUILE
4   GLYTYRHISPROGLUGLULEULEUGLYARG
5   SERALASERGLUPHETRPHISALALEUASP
6   SERGLUASNMETTHRLYSSERHISGLNASN
7   LEUCYSTHRLYSGLYGLNVALVALSERGLY
8   GLNTYRARGMETLEUALALYSHISGLYGLY
9   TYRVALTRPLEUGLUTHRGLNMETTHRVAL
10   ILETYRASNPROARGASNLEUGLNPROGLN
11   CYSILEMETALAVALASNTYRVALLEUSER
12   GLUILEGLULYS

Samples:

sample_1: HIF-2 alpha D1, [U-99% 13C; U-99% 15N], 0.5 mM; H2O 90%; D2O 10%; Tris 50 mM; NaCl 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

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

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

VNMR, Varian - collection

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

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