BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15542

Title: SOLUTION NMR STRUCTURE OF UNCHARACTERIZED LIPOPROTEIN yajI FROM Escherichia coli: NORTHEAST STRUCTURAL GENOMICS TARGET ER540

Deposition date: 2007-10-31 Original release date: 2007-11-09

Authors: Liu, Gaohua; Xiao, Rong; Chen, Chen; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation: Liu, Gaohua; Xiao, Rong; Swapna, G.V.T; Acton, Thomas; Montelione, Gaetano. "SOLUTION NMR STRUCTURE OF UNCHARACTERIZED LIPOPROTEIN yajI FROM Escherichia coli"  . ., .-..

Assembly members:
Lipoprotein_yajI, polymer, 168 residues, 18603.127 Da.

Natural source:   Common Name: not available   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
Lipoprotein_yajI: MVQQSEVRQMKHSVSTLNQE MTQLNQETVKITQQNRLNAK SSSGVYLLPGAKTPARLESQ IGTLRMSLVNITPDADGTTL TLRIQGESNDPLPAFSGTVE YGQIQGTIDNFQEINVQNQL INAPASVLAPSDVDIPLQLK GISVDQLGFVRIHDIQPVMQ LEHHHHHH

Data sets:
Data typeCount
13C chemical shifts535
15N chemical shifts182
1H chemical shifts1169

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 168 residues - 18603.127 Da.

1   METVALGLNGLNSERGLUVALARGGLNMET
2   LYSHISSERVALSERTHRLEUASNGLNGLU
3   METTHRGLNLEUASNGLNGLUTHRVALLYS
4   ILETHRGLNGLNASNARGLEUASNALALYS
5   SERSERSERGLYVALTYRLEULEUPROGLY
6   ALALYSTHRPROALAARGLEUGLUSERGLN
7   ILEGLYTHRLEUARGMETSERLEUVALASN
8   ILETHRPROASPALAASPGLYTHRTHRLEU
9   THRLEUARGILEGLNGLYGLUSERASNASP
10   PROLEUPROALAPHESERGLYTHRVALGLU
11   TYRGLYGLNILEGLNGLYTHRILEASPASN
12   PHEGLNGLUILEASNVALGLNASNGLNLEU
13   ILEASNALAPROALASERVALLEUALAPRO
14   SERASPVALASPILEPROLEUGLNLEULYS
15   GLYILESERVALASPGLNLEUGLYPHEVAL
16   ARGILEHISASPILEGLNPROVALMETGLN
17   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: Lipoprotein yajI, [U-100% 13C; U-100% 15N], 1.77 mM

sample_2: Lipoprotein yajI, [U-10% 13C; U-99% 15N], 0.77 mM

sample_conditions_1: ionic strength: 0 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D SIMULTANEOUS CN-NOESY,sample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
4,3D GFT CABCACONHNsample_1isotropicsample_conditions_1
4,3D GFT HNNCABCAsample_1isotropicsample_conditions_1
4,3D GFT HCCHsample_1isotropicsample_conditions_1
4,3D GFT HABCABCONHNsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

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

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - data analysis

XEASY v1.3.1, Bartels et al. - data analysis

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TOPSPIN v1.3, Bruker Biospin - collection

VNMR, Varian - collection

AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAB33888 BAE76192 BAG75958 BAI23783 BAI29254
EMBL CAP74946 CAQ30881 CAQ97284 CAR01755 CAR06645
GB AAA74983 AAB40168 AAC73515 AAG54761 AAN42007
REF NP_308492 NP_414946 NP_706300 WP_000308223 WP_000374632
SP P46122

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