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Biological Magnetic Resonance Data Bank


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BMRB Entry 17021

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17021
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Title: Solution NMR Structure of Q8PSA4 from Methanosarcina mazei, Northeast Structural Genomics Consortium Target MaR143A

Deposition date: 2010-06-25 Original release date: 2010-07-26

Authors: Mills, Jeffrey; Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Ciccosanti, Colleen; Hamilton, Keith; Acton, T.; Xiao, R.; Everett, J.; Prestegard, James; Montelione, G.; Szyperski, Thomas

Citation: Mills, Jeffrey; Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Ciccosanti, Colleen; Hamilton, Keith; Acton, T.; Xiao, R.; Everett, J.; Prestegard, James; Montelione, G.; Szyperski, Thomas. "Northeast Structural Genomics Consortium Target MaR143A"  To be published ., .-..

Assembly members:
MaR143A, polymer, 145 residues, 16271.567 Da.

Natural source:   Common Name: Methanosarcina mazei   Taxonomy ID: 2209   Superkingdom: Archaea   Kingdom: not available   Genus/species: Methanosarcina mazei

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

Entity Sequences (FASTA):
MaR143A: MNARDNKFNTWNDSRGNYWS DYEGSDENGDGIGDSAYAVN PEAGSMDYMPLMEYLHSSPV LPTARFTSDITEGFAPLSVR FKDFSENATSRLWMFGDGNT SDSPSPLHTFFNEGEYIVSL IVSNENDSDSASVTIRALEH HHHHH

Data sets:
Data typeCount
13C chemical shifts460
15N chemical shifts121
1H chemical shifts706

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MaR143A1

Entities:

Entity 1, MaR143A 145 residues - 16271.567 Da.

1   METASNALAARGASPASNLYSPHEASNTHR
2   TRPASNASPSERARGGLYASNTYRTRPSER
3   ASPTYRGLUGLYSERASPGLUASNGLYASP
4   GLYILEGLYASPSERALATYRALAVALASN
5   PROGLUALAGLYSERMETASPTYRMETPRO
6   LEUMETGLUTYRLEUHISSERSERPROVAL
7   LEUPROTHRALAARGPHETHRSERASPILE
8   THRGLUGLYPHEALAPROLEUSERVALARG
9   PHELYSASPPHESERGLUASNALATHRSER
10   ARGLEUTRPMETPHEGLYASPGLYASNTHR
11   SERASPSERPROSERPROLEUHISTHRPHE
12   PHEASNGLUGLYGLUTYRILEVALSERLEU
13   ILEVALSERASNGLUASNASPSERASPSER
14   ALASERVALTHRILEARGALALEUGLUHIS
15   HISHISHISHISHIS

Samples:

NC: MaR143A, [U-100% 13C; U-100% 15N], 0.55 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; H2O 95%; D2O 5%

NC5: MaR143A, [U-5% 13C; U-100% 15N], 0.55 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; H2O 95%; D2O 5%

NC5-RDC: MaR143A, [U-5% 13C; U-100% 15N], 0.55 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; Pf1 phage 13 mg/mL; H2O 95%; D2O 5%

sample_conditions_1: pH: 7.5; pressure: 1 .; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNCisotropicsample_conditions_1
2D 1H-13C HSQCNCisotropicsample_conditions_1
3D HNCONCisotropicsample_conditions_1
3D CBCA(CO)NHNCisotropicsample_conditions_1
3D HNCACBNCisotropicsample_conditions_1
3D HBHA(CO)NHNCisotropicsample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESYNCisotropicsample_conditions_1
2D 1H-15N HSQCNC5-RDCanisotropicsample_conditions_1
2D 1H-13C HSQCNC5isotropicsample_conditions_1
3D HCCH-TOCSYNCisotropicsample_conditions_1
3D HCCH-COSYNCisotropicsample_conditions_1
HB(CBCGCDCE)HENCisotropicsample_conditions_1

Software:

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

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis

PROSA, Guntert - processing

CARA v1.8, Keller et al. - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PALES, PALES (Zweckstetter, Bax) - geometry optimization

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Varian INOVA 750 MHz
  • Varian INOVA 600 MHz

Related Database Links:

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Download simulated HSQC data in one of the following formats:
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