BMRB Entry 19218

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19218
MolProbity Validation Chart

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Title:
Solution structure of yeast dithiol glutaredoxin Grx8
Deposition date:
2013-05-02
Original release date:
2013-05-28
Authors:
Tang, Yajun; Zhang, Jiahai; Zhou, Congzhao; Shi, Yunyu
Citation:

Citation: Tang, Yajun; Zhang, Jiahai; Yu, Jiang; Xu, Ling; Wu, Jihui; Zhou, Cong-Zhao; Shi, Yunyu. "Structure-guided activity enhancement and catalytic mechanism of yeast grx8."  Biochemistry 53, 2185-2196 (2014).
PubMed: 24611845

Assembly members:

Assembly members:
Grx8, polymer, 109 residues, 12534.485 Da.

Natural source:

Natural source:   Common Name: Baker's Yeast   Taxonomy ID: 4932   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: p28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Grx8: MSAFVTKAEEMIKSHPYFQL SASWCPDCVYANSIWNKLNV QDKVFVFDIGSLPRNEQEKW RIAFQKVVGSRNLPTIVVNG KFWGTESQLHRFEAKGTLEE ELTKIGLLP

Data sets:
Data typeCount
13C chemical shifts89
15N chemical shifts32
1H chemical shifts218

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Grx81

Entities:

Entity 1, Grx8 109 residues - 12534.485 Da.

1   METSERALAPHEVALTHRLYSALAGLUGLU
2   METILELYSSERHISPROTYRPHEGLNLEU
3   SERALASERTRPCYSPROASPCYSVALTYR
4   ALAASNSERILETRPASNLYSLEUASNVAL
5   GLNASPLYSVALPHEVALPHEASPILEGLY
6   SERLEUPROARGASNGLUGLNGLULYSTRP
7   ARGILEALAPHEGLNLYSVALVALGLYSER
8   ARGASNLEUPROTHRILEVALVALASNGLY
9   LYSPHETRPGLYTHRGLUSERGLNLEUHIS
10   ARGPHEGLUALALYSGLYTHRLEUGLUGLU
11   GLULEUTHRLYSILEGLYLEULEUPRO

Samples:

sample_1: Grx8 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 2 mM; H2O 90%; D2O 10%

sample_2: Grx8 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 2 mM; D2O 100%

sample_conditions_1: pH: 5.5; pressure: 1 Pa; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

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

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

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

SPARKY, Goddard - chemical shift assignment, chemical shift calculation, peak picking

ProcheckNMR, Laskowski and MacArthur - refinement

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

PDB
DBJ GAA25226
EMBL CAY81589
GB AAB67570 AAS56547 AHY78720 AJP40497 AJV46402
REF NP_013468
SP Q05926
TPG DAA09669
AlphaFold Q05926

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