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Biological Magnetic Resonance Data Bank


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BMRB Entry 18733

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18733
MolProbity Validation Chart

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Title: NMR structure of the protein NB7890A from Shewanella sp

Deposition date: 2012-09-21 Original release date: 2012-10-22

Authors: Serrano, Pedro; Geralt, Michael; Pedrini, Bill; Wuthrich, Kurt; Horst, Reto; Augustyniak, Wojtek

Citation: Serrano, Pedro; Wuthrich, Kurt. "NMR structure of the protein NB7890A from Shewanella sp"  Not known ., .-..

Assembly members:
NB7890A, polymer, 208 residues, 22935.424 Da.

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 50422   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Shewanella sp

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

Entity Sequences (FASTA):
NB7890A: SNNENAFYARATELIKLANQ QNQNTEIQTGEVSASFMWAL ARYNAWFGSTSFETKEQMQA KKQEMMDYYMDRYKEMLDAN MEDYIENFDHYRATQKMEDY IENFDHYRATQKSNNENAFY ARATELIKLANQQNQNTEIQ TGEVSASFMWALARYNAWFG STSFETKEQMQAKKQEMMDY YMDRYKEMLDANMEDYIENF DHYRATQK

Data sets:
Data typeCount
13C chemical shifts336
15N chemical shifts115
1H chemical shifts673

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1NB7890A1

Entities:

Entity 1, NB7890A 208 residues - 22935.424 Da.

1   SERASNASNGLUASNALAPHETYRALAARG
2   ALATHRGLULEUILELYSLEUALAASNGLN
3   GLNASNGLNASNTHRGLUILEGLNTHRGLY
4   GLUVALSERALASERPHEMETTRPALALEU
5   ALAARGTYRASNALATRPPHEGLYSERTHR
6   SERPHEGLUTHRLYSGLUGLNMETGLNALA
7   LYSLYSGLNGLUMETMETASPTYRTYRMET
8   ASPARGTYRLYSGLUMETLEUASPALAASN
9   METGLUASPTYRILEGLUASNPHEASPHIS
10   TYRARGALATHRGLNLYSMETGLUASPTYR
11   ILEGLUASNPHEASPHISTYRARGALATHR
12   GLNLYSSERASNASNGLUASNALAPHETYR
13   ALAARGALATHRGLULEUILELYSLEUALA
14   ASNGLNGLNASNGLNASNTHRGLUILEGLN
15   THRGLYGLUVALSERALASERPHEMETTRP
16   ALALEUALAARGTYRASNALATRPPHEGLY
17   SERTHRSERPHEGLUTHRLYSGLUGLNMET
18   GLNALALYSLYSGLNGLUMETMETASPTYR
19   TYRMETASPARGTYRLYSGLUMETLEUASP
20   ALAASNMETGLUASPTYRILEGLUASNPHE
21   ASPHISTYRARGALATHRGLNLYS

Samples:

sample_1: NB7890A, [U-98% 13C; U-98% 15N], 1.2 mM; sodium chloride 50 mM; sodium phosphate 20 mM; sodium azide 5 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.220 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_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
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts