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 18016

Title: Solution structure of MSMEG_1053, the second DUF3349 annotated protein in the genome of Mycobacterium smegmatis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MysmA.17112.b

Deposition date: 2011-10-22 Original release date: 2011-11-29

Authors: Buchko, Garry

Citation: Buchko, Garry; Edwards, Thomas; Abendroth, Jan; Napuli, Alberto; Hewitt, Stephen; Phan, Isabelle; Van Voorhis, Wesley; Kim, Chang-Yub; Myler, Peter. "Different structures for two DUF3349 annotated proteins in the genome of Mycobacterium smegmatis suggest a structural diversity within the DUF3349 superfamily."  Not known ., .-..

Assembly members:
entity, polymer, 112 residues, 12434.074 Da.

Natural source:   Common Name: High GC Gram+   Taxonomy ID: 1772   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium smegmatis

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

Entity Sequences (FASTA):
entity: GPGSMVNAFLAKIAAWLNAG YPEGVPGPDRVPLLALLTRR LTNDEIKAIAEDLEKRAHFD HIDIGVLITQMTDEMPREED IERVRRHLALQGWPLDDPRD GEEPDGESGGPR

Data sets:
Data typeCount
13C chemical shifts453
15N chemical shifts108
1H chemical shifts744

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SSGCID1

Entities:

Entity 1, SSGCID 112 residues - 12434.074 Da.

Residues 1-4 represent non-native residues that remain after the removal of an N-terminal affinity tag.

1   GLYPROGLYSERMETVALASNALAPHELEU
2   ALALYSILEALAALATRPLEUASNALAGLY
3   TYRPROGLUGLYVALPROGLYPROASPARG
4   VALPROLEULEUALALEULEUTHRARGARG
5   LEUTHRASNASPGLUILELYSALAILEALA
6   GLUASPLEUGLULYSARGALAHISPHEASP
7   HISILEASPILEGLYVALLEUILETHRGLN
8   METTHRASPGLUMETPROARGGLUGLUASP
9   ILEGLUARGVALARGARGHISLEUALALEU
10   GLNGLYTRPPROLEUASPASPPROARGASP
11   GLYGLUGLUPROASPGLYGLUSERGLYGLY
12   PROARG

Samples:

sample_1: MSMEG_1053, [U-99% 13C; U-99% 15N], 1.0 ± 0.1 mM; sodium chloride 100 ± 2 mM; DTT 1 ± 0.1 mM; TRIS 20 ± 0.5 mM; H2O 93%; D2O 7%

sample_2: MSMEG_1053, [U-99% 13C; U-99% 15N], 1.0 ± 0.1 mM; sodium chloride 100 ± 2 mM; DTT 1 ± 0.1 mM; TRIS 20 ± 0.5 mM; D2O 100%

sample_conditions_1: ionic strength: 0.12 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

sample_conditions_2: ionic strength: 0.12 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C 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 HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
2D HBCBCGCDCDHDsample_1isotropicsample_conditions_1
2D HBCBCGCDCEHEsample_1isotropicsample_conditions_1
DEUTERIUM EXCHANGEsample_2isotropicsample_conditions_2

Software:

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

FELIX v2007, Accelrys Software Inc. - processing

SPARKY v3.115, Goddard - data analysis, peak picking

CNSSOLVE v2.6, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PSVS v1.3, Bhattacharya and Montelione - data analysis

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
EMBL CKH10149
GB ABK71419 AFP37510 AIU06313 AIU12938 AIU19562
REF WP_003892430 YP_885459

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