BMRB Entry 30537

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30537
MolProbity Validation Chart

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Title:
Solution NMR structure of a putative thioredoxin (trxA) in the reduced state from Rickettsia prowazekii, the etiological agent responsible for typhus. Seattle Structural Genomics Center for Infectious Disease target RiprA.00029.a
Deposition date:
2018-11-04
Original release date:
2018-12-10
Authors:
Buchko, G.; Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID
Citation:

Citation: Buchko, G.; Van Voorhis, W.; Myler, P.. "Solution NMR structure of reduced Rickettsia prowazekii thioredoxin."  .

Assembly members:

Assembly members:
entity_1, polymer, 134 residues, 15287.471 Da.

Natural source:

Natural source:   Common Name: Rickettsia prowazekii   Taxonomy ID: 272947   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Rickettsia prowazekii

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPGSMSCYNEITTLLEFDSN DINTTQRINMVNNVTDSSFK NEVLESDLPVMVDFWAEWCG PCKMLIPIIDEISKELQDKV KVLKMNIDENPKTPSEYGIR SIPTIMLFKNGEQKDTKIGL QQKNSLLDWINKSI

Data sets:
Data typeCount
13C chemical shifts505
15N chemical shifts124
1H chemical shifts688

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 134 residues - 15287.471 Da.

1   GLYPROGLYSERMETSERCYSTYRASNGLU
2   ILETHRTHRLEULEUGLUPHEASPSERASN
3   ASPILEASNTHRTHRGLNARGILEASNMET
4   VALASNASNVALTHRASPSERSERPHELYS
5   ASNGLUVALLEUGLUSERASPLEUPROVAL
6   METVALASPPHETRPALAGLUTRPCYSGLY
7   PROCYSLYSMETLEUILEPROILEILEASP
8   GLUILESERLYSGLULEUGLNASPLYSVAL
9   LYSVALLEULYSMETASNILEASPGLUASN
10   PROLYSTHRPROSERGLUTYRGLYILEARG
11   SERILEPROTHRILEMETLEUPHELYSASN
12   GLYGLUGLNLYSASPTHRLYSILEGLYLEU
13   GLNGLNLYSASNSERLEULEUASPTRPILE
14   ASNLYSSERILE

Samples:

sample_1: sodium chloride 100 ± 3 mM; TRIS 20 ± 1 mM; DTT 1 ± 0.2 mM; R29, [U-99% 13C; U-99% 15N], 0.8 ± 0.2 mM

sample_2: sodium chloride 100 ± 3 mM; TRIS 20 ± 1 mM; DTT 1 ± 0.2 mM; R29, [U-10% 13C; U-100% 15N], 0.5 ± 0.1 mM

sample_3: sodium chloride 100 ± 3 mM; TRIS 20 ± 1 mM; DTT 1 ± 0.2 mM; R29, [U-99% 15N], 0.5 ± 0.1 mM

sample_conditions_1: ionic strength: 0.12 M; pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
DEUTERIUM EXCHANGEsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

CNS v1.1, Brunger A. T. et.al. - refinement

TALOS v+, Cornilescu, Delaglio and Bax - data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

SPARKY v3.13, Goddard - data analysis, peak picking

PSVS v1.5, Bhattacharya and Montelione - data analysis

NMR spectrometers:

  • Bruker AvanceII 750 MHz

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