BMRB Entry 5844

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR5844
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
ZR18 Structure determination
Deposition date:
2003-06-25
Original release date:
2004-07-26
Authors:
Baran, Michael; Aramini, James; Huang, Y.; Xiao, Rong; Acton, Thomas; Shih, Liang-yu; Montelione, Gaetano
Citation:

Citation: Mercier, Kelly; Baran, Michael; Ramanathan, Viswanathan; Revesz, Peter; Xiao, Rong; Montelione, Gaetano; Powers, Robert. "FAST-NMR: functional annotation screening technology using NMR spectroscopy"  J. Am. Chem. Soc. 128, 15292-15299 (2006).
PubMed: 17117882

Assembly members:

Assembly members:
ZR18, polymer, 91 residues, 9406.65 Da.

Natural source:

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 158878   Superkingdom: Bacteria   Kingdom: Firmicutes   Genus/species: Bacillales Staphylococcus

Experimental source:

Experimental source:   Production method: recombinat technology   Host organism: Escherichia coli   Vector: PET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ZR18: MKIISISETPNHNTMKITLS ESREGMTSDTYTKVDDSQPA FINDILKVEGVKSIFHVMDF ISVDKENDANWETVLPKVEA VFELEHHHHHH

Data sets:
Data typeCount
1H chemical shifts611
13C chemical shifts389
15N chemical shifts89
coupling constants60

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ZR181

Entities:

Entity 1, ZR18 91 residues - 9406.65 Da.

1   METLYSILEILESERILESERGLUTHRPRO
2   ASNHISASNTHRMETLYSILETHRLEUSER
3   GLUSERARGGLUGLYMETTHRSERASPTHR
4   TYRTHRLYSVALASPASPSERGLNPROALA
5   PHEILEASNASPILELEULYSVALGLUGLY
6   VALLYSSERILEPHEHISVALMETASPPHE
7   ILESERVALASPLYSGLUASNASPALAASN
8   TRPGLUTHRVALLEUPROLYSVALGLUALA
9   VALPHEGLULEUGLUHISHISHISHISHIS
10   HIS

Samples:

sample_1: ZR18, [U-100% 15N; U-5% 13C], 1.3 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%; D2O 5%

sample_2: ZR18, [U-100% 15N; U-100% 13C], 1.15 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%; D2O 5%

Ex-cond_1: pH: 6.5; temperature: 298 K; ionic strength: 0.1 M

Experiments:

NameSampleSample stateSample conditions
NH HSQCsample_1not availableEx-cond_1
HNCOsample_1not availableEx-cond_1
HNCACBsample_1not availableEx-cond_1
HNCOCACBsample_1not availableEx-cond_1
HNCAsample_1not availableEx-cond_1
HNCOCAsample_1not availableEx-cond_1
HCC(CO)NH-TOCSYsample_1not availableEx-cond_1
H(CCCO)NH-TOCSYsample_1not availableEx-cond_1
HACACONHsample_1not availableEx-cond_1
HACANHsample_1not availableEx-cond_1
CH HSQCsample_1not availableEx-cond_1
HCCH-COSYsample_1not availableEx-cond_1
13C EDITED NOESYsample_1not availableEx-cond_1
HBCBCGCDHD (A)sample_1not availableEx-cond_1
AROMATICTOCSY RDsample_1not availableEx-cond_1
hetNOEsample_2not availableEx-cond_1
HNHAsample_2not availableEx-cond_1
HBCBCGCDHD (B)sample_1not availableEx-cond_1
CH HSQCsample_2not availableEx-cond_1

Software:

HYPER v3.2 - data analysis

TALOS v2.1 - data analysis

DYANA v1.5 - structure refinement

VNMR6.1C - data collection

nmrPipe - raw spectral data processing

Sparky - spectral visualization

autoAssign - automated backbone assignments

AutoStructure - automated structural determination

SPINS - integrated spectral analysus software

NMR spectrometers:

  • Varian UNITY Inova 500 MHz
  • Varian UNITY Inova 600 MHz

Related Database Links:

PDB
DBJ BAB42523 BAB57592 BAB95185 BAF67613 BAF78301
EMBL CAG40440 CAG43149 CAI80974 CAQ49855 CBI49309
GB AAW36666 ABD22863 ABD30530 ABQ49284 ABR52368
REF NP_371954 NP_374544 NP_646137 WP_000668809 WP_000691941

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks