BMRB Entry 34689

Title:
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide
Deposition date:
2021-11-25
Original release date:
2022-09-02
Authors:
Ashkinadze, D.; Kadavath, H.; Chi, C.; Friedmann, M.; Strotz, D.; Kumari, P.; Minges, M.; Cadalbert, R.; Koenigl, S.; Guentert, P.; Voegeli, B.; Riek, R.
Citation:

Citation: Ashkinadze, Dzmitry; Kadavath, Harindranath; Pokharna, Aditya; Chi, Celestine; Friedmann, Michael; Strotz, Dean; Kumari, Pratibha; Minges, Martina; Cadalbert, Riccardo; Konigl, Stefan; Guentert, Peter; Vogeli, Beat; Riek, Roland. "Atomic resolution protein allostery from the multi-state structure of a PDZ domain"  Nat. Commun. 13, 6232-6232 (2022).
PubMed: 36266302

Assembly members:

Assembly members:
entity_1, polymer, 96 residues, 10020.252 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 BL21

Data sets:
Data typeCount
13C chemical shifts252
15N chemical shifts92
1H chemical shifts587

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 96 residues - 10020.252 Da.

1   PROLYSPROGLYASPILEPHEGLUVALGLU
2   LEUALALYSASNASPASNSERLEUGLYILE
3   SERVALTHRGLYGLYVALASNTHRSERVAL
4   ARGHISGLYGLYILETYRVALLYSALAVAL
5   ILEPROGLNGLYALAALAGLUSERASPGLY
6   ARGILEHISLYSGLYASPARGVALLEUALA
7   VALASNGLYVALSERLEUGLUGLYALATHR
8   HISLYSGLNALAVALGLUTHRLEUARGASN
9   THRGLYGLNVALVALHISLEULEULEUGLU
10   LYSGLYGLNSERPROTHR

Samples:

sample_1: PDZ2 domain, [U-100% 13C; U-100% 15N], 2 mM; RA-GEF2 peptide 2 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.8 pD; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

XEASY, Bartels et al. - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

NMR spectrometers:

  • Bruker AVANCE 700 MHz

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