BMRB Entry 34093

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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/BMR34093
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of C20S variant of Dehydroascorbate reductase 3A from Populus trichocarpa in complex with dehydroascorbic acid.
Deposition date:
2017-01-26
Original release date:
2017-03-16
Authors:
Roret, T.; Tsan, P.
Citation:

Citation: Lallement, P.; Roret, T.; Tsan, P.; Gualberto, J.; Girardet, J.; Didierjean, C.; Rouhier, N.; Hecker, A.. "Insights into ascorbate regeneration in plants: investigating the redox and structural properties of dehydroascorbate reductases from Populus trichocarpa."  Biochem. J. 473, 717-731 (2016).
PubMed: 26699905

Assembly members:

Assembly members:
entity_1, polymer, 218 residues, 24348.131 Da.
entity_UU3, non-polymer, 174.108 Da.

Natural source:

Natural source:   Common Name: Black cottonwood   Taxonomy ID: 3694   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Populus trichocarpa

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MALEICVKAAVGAPNILGDS PFCQRVLLSLEEKKIPYKSH LINLGDKPQWFLEISPEGKV PVVKIDDKWVADSDVIVGIL EEKNPEPPLATPPEFASVGS KIFPSFVKFLKSKDPNDGTE QALLEELKALDGHLKVHGPF IAGEKITAVDLSLAPKLYHL EVALGHFKNWPIPDNLTHVL NYIKLLFSRESFKKTRAAEE HVIAGWEPKVNAHHHHHH

Data sets:
Data typeCount
15N chemical shifts374
1H chemical shifts374

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 218 residues - 24348.131 Da.

1   METALALEUGLUILECYSVALLYSALAALA
2   VALGLYALAPROASNILELEUGLYASPSER
3   PROPHECYSGLNARGVALLEULEUSERLEU
4   GLUGLULYSLYSILEPROTYRLYSSERHIS
5   LEUILEASNLEUGLYASPLYSPROGLNTRP
6   PHELEUGLUILESERPROGLUGLYLYSVAL
7   PROVALVALLYSILEASPASPLYSTRPVAL
8   ALAASPSERASPVALILEVALGLYILELEU
9   GLUGLULYSASNPROGLUPROPROLEUALA
10   THRPROPROGLUPHEALASERVALGLYSER
11   LYSILEPHEPROSERPHEVALLYSPHELEU
12   LYSSERLYSASPPROASNASPGLYTHRGLU
13   GLNALALEULEUGLUGLULEULYSALALEU
14   ASPGLYHISLEULYSVALHISGLYPROPHE
15   ILEALAGLYGLULYSILETHRALAVALASP
16   LEUSERLEUALAPROLYSLEUTYRHISLEU
17   GLUVALALALEUGLYHISPHELYSASNTRP
18   PROILEPROASPASNLEUTHRHISVALLEU
19   ASNTYRILELYSLEULEUPHESERARGGLU
20   SERPHELYSLYSTHRARGALAALAGLUGLU
21   HISVALILEALAGLYTRPGLUPROLYSVAL
22   ASNALAHISHISHISHISHISHIS

Entity 2, entity_2 - C6 H6 O6 - 174.108 Da.

1   UU3

Samples:

sample_1: dehydroascorbate reductase 3A, [U-100% 15N], 0.37 mM

sample_2: Dehydroascorbic acid 47 mM; dehydroascorbate reductase 3A, [U-100% 15N], 0.37 mM

sample_conditions_1: ionic strength: 50 mM; pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1

Software:

CcpNMR, CCPN - chemical shift assignment, peak picking

PELE web server, PELE - structure calculation

UCSF Chimera, UCSF Chimera - refinement

YASARA, YASARA - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

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