BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 16791

Title: solution NMR structure of yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244

Deposition date: 2010-03-28 Original release date: 2010-04-26

Authors: Tang, Yuefeng; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Swapna, G.V.T.; Rost, Burkhard; Montelione, Geatano

Citation: Tang, Yuefeng; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Swapna, G.V.T.; Rost, Burkhard; Montelione, Gaetano. "solution NMR structure of yaiA from Escherichia coli. Northeast Structural Genomics Target ER244"  Not known ., .-..

Assembly members:
yaiA, polymer, 71 residues, 16710.875 Da.

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

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

Entity Sequences (FASTA):
yaiA: MPTKPPYPREAYIVTIEKGK PGQTVTWYQLRADHPKPDSL ISEHPTAQEAMDAKKRYEDP DKELEHHHHHH

Data sets:
Data typeCount
13C chemical shifts281
15N chemical shifts58
1H chemical shifts445

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ER2441

Entities:

Entity 1, ER244 71 residues - 16710.875 Da.

residue 64 to 71 represent a non-native purification tag (LEHHHHHH)

1   METPROTHRLYSPROPROTYRPROARGGLU
2   ALATYRILEVALTHRILEGLULYSGLYLYS
3   PROGLYGLNTHRVALTHRTRPTYRGLNLEU
4   ARGALAASPHISPROLYSPROASPSERLEU
5   ILESERGLUHISPROTHRALAGLNGLUALA
6   METASPALALYSLYSARGTYRGLUASPPRO
7   ASPLYSGLULEUGLUHISHISHISHISHIS
8   HIS

Samples:

sample_2: ER244, [U-5% 13C; U-100% 15N], 1.00 mM; DTT 5 mM; sodium chloride 100 mM; TRIS 10 mM; NaN3 10 mM; H2O 95%; D2O 5%

sample_1: ER244, [U-100% 13C; U-100% 15N], 1.37 mM; DTT 5 mM; sodium chloride 100 mM; TRIS 10 mM; NaN3 10 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.1 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C aliphatic NOESYsample_1isotropicsample_conditions_1
3D 1H-13C aromatic NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (high resolution)sample_2isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection

SPARKY v3.110, Goddard - data analysis, peak picking

AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

CYANA v3.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - structure solution

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

PSVS v1.4, Bhattacharya and Montelione - structure validation

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
DBJ BAB33862 BAE76170 BAG75934 BAI23762 BAI29233
EMBL CAP74924 CAQ30857 CAQ97261 CAR01733 CAR06622
GB AAA83834 AAB18113 AAC73492 AAG54735 AAN41984
REF NP_308466 NP_414923 NP_706277 WP_001142433 WP_001142434
SP P0AAN5 P0AAN6 P0AAN7 P0AAN8

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