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 18987

Title: Solution NMR structure of SACOL0876 from Staphylococcus aureus COL, NESG target ZR353 and CSGID target IDP00841

Authors: Wu, Bin; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl

Citation: Wu, Bin; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl. "Solution NMR structure of SACOL0876 from Staphylococcus aureus COL, NESG target ZR353 and CSGID target IDP00841"  Not known ., .-..

Assembly members:
SACOL0876, polymer, 142 residues, 13618.799 Da.

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

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

Entity Sequences (FASTA):
SACOL0876: MHHHHHHSSGVDLGTENLYF QSNAMIKFYQYKNCTTCKKA AKFLDEYGVSYEPIDIVQHT PTINEFKTIIANTGVEINKL FNTHGAKYRELDLKNKLQTL SDDEKLELLSSDGMLVKRPL AVMGDKITLGFKEDQYKETW LA

Data typeCount
13C chemical shifts487
15N chemical shifts109
1H chemical shifts810

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SACOL08761

Entities:

Entity 1, SACOL0876 142 residues - 13618.799 Da.

1   METHISHISHISHISHISHISSERSERGLY
2   VALASPLEUGLYTHRGLUASNLEUTYRPHE
3   GLNSERASNALAMETILELYSPHETYRGLN
4   TYRLYSASNCYSTHRTHRCYSLYSLYSALA
5   ALALYSPHELEUASPGLUTYRGLYVALSER
6   TYRGLUPROILEASPILEVALGLNHISTHR
7   PROTHRILEASNGLUPHELYSTHRILEILE
8   ALAASNTHRGLYVALGLUILEASNLYSLEU
9   PHEASNTHRHISGLYALALYSTYRARGGLU
10   LEUASPLEULYSASNLYSLEUGLNTHRLEU
11   SERASPASPGLULYSLEUGLULEULEUSER
12   SERASPGLYMETLEUVALLYSARGPROLEU
13   ALAVALMETGLYASPLYSILETHRLEUGLY
14   PHELYSGLUASPGLNTYRLYSGLUTHRTRP
15   LEUALA

Samples:

sample_1: SACOL0876, [U-100% 13C; U-100% 15N], 0.3 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x

sample_2: SACOL0876, [U-100% 13C; U-100% 15N], 0.3 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x

sample_3: SACOL0876, [U-7% 13C; U-100% 15N], 0.2 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1

Software:

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

MDDGUI v1.0, Gutmanas, Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis

FMCGUI v2.4, Lemak, Arrowsmith - chemical shift assignment

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

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

FAWN, Lemak, Arrowsmith - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAB41996 BAB56994 BAB94650 BAF67047 BAF77711
EMBL CAG39872 CAG42547 CAI80451 CAQ49313 CBI48760
GB AAW36430 ABD22208 ABD29961 ABQ48633 ABR51704
REF WP_000589548 WP_000589549 WP_000589550 WP_000589551 WP_000589552