BMRB Entry 34589

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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/BMR34589
MolProbity Validation Chart

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Title:
Solution structure of the chloroplast outer envelope channel OEP21
Deposition date:
2021-01-07
Original release date:
2022-01-16
Authors:
Hagn, F.; Haeusler, E.
Citation:

Citation: Gunsel, Umut; Klopfer, Kai; Hausler, Elisabeth; Hitzenberger, Manuel; Bolter, Bettina; Sperl, Laura; Zacharias, Martin; Soll, Jurgen; Hagn, Franz. "Structural basis of metabolite transport by the chloroplast outer envelope channel OEP21"  Nat. Struct. Mol. Biol. 30, 761-769 (2023).
PubMed: 37156968

Assembly members:

Assembly members:
entity_1, polymer, 189 residues, 22098.742 Da.

Natural source:

Natural source:   Common Name: Garden pea   Taxonomy ID: 3888   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Pisum sativum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: METSLRYGGDSKALKIHAKE KLRIDTNTFFQVRGGLDTKT GQPSSGSALIRHFYPNFSAT LGVGVRYDKQDSVGVRYAKN DKLRYTVLAKKTFPVTNDGL VNFKIKGGCDVDQDFKEWKS RGGAEFSWNVFNFQKDQDVR LRIGYEAFEQVPYLQIRENN WTFNADYKGRWNVRYDLLEH HHHHHHHHH

Data sets:
Data typeCount
13C chemical shifts459
15N chemical shifts151
1H chemical shifts370

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 189 residues - 22098.742 Da.

1   METGLUTHRSERLEUARGTYRGLYGLYASP
2   SERLYSALALEULYSILEHISALALYSGLU
3   LYSLEUARGILEASPTHRASNTHRPHEPHE
4   GLNVALARGGLYGLYLEUASPTHRLYSTHR
5   GLYGLNPROSERSERGLYSERALALEUILE
6   ARGHISPHETYRPROASNPHESERALATHR
7   LEUGLYVALGLYVALARGTYRASPLYSGLN
8   ASPSERVALGLYVALARGTYRALALYSASN
9   ASPLYSLEUARGTYRTHRVALLEUALALYS
10   LYSTHRPHEPROVALTHRASNASPGLYLEU
11   VALASNPHELYSILELYSGLYGLYCYSASP
12   VALASPGLNASPPHELYSGLUTRPLYSSER
13   ARGGLYGLYALAGLUPHESERTRPASNVAL
14   PHEASNPHEGLNLYSASPGLNASPVALARG
15   LEUARGILEGLYTYRGLUALAPHEGLUGLN
16   VALPROTYRLEUGLNILEARGGLUASNASN
17   TRPTHRPHEASNALAASPTYRLYSGLYARG
18   TRPASNVALARGTYRASPLEULEUGLUHIS
19   HISHISHISHISHISHISHISHISHIS

Samples:

sample_1: OEP21, [U-13C; U-15N; U-2H], 0.4 ± 0.05 mM; LDAO, [U-100% 2H], 300 ± 50 mM; sodium phosphate 20 ± 2 mM; sodium chloride 50 ± 5 mM; DTT 5 ± 0.5 mM; EDTA 0.5 ± 0.05 mM

sample_2: OEP21, [ U-15N; U-2H],ILVAFY, 0.4 ± 0.05 mM; LDAO, [U-100% 2H], 300 ± 50 mM; sodium phosphate 20 ± 2 mM; sodium chloride 50 ± 5 mM; DTT 5 ± 0.5 mM; EDTA 0.5 ± 0.05 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSY HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 13C-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_2isotropicsample_conditions_1
3D 13C-15N NOESY aliphaticsample_2isotropicsample_conditions_1
2D 1H-15N TROSY HSQCsample_2isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection, processing

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

hmsIST, Wagner Lab, Harvard Medical School - processing

NMRFAM-SPARKY, Univ of Wisconsin - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 900 MHz
  • Bruker AVANCE III HD 800 MHz

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