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Biological Magnetic Resonance Data Bank


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BMRB Entry 17111

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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/BMR17111
MolProbity Validation Chart

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Title: Mupirocin didomain ACP

Deposition date: 2010-08-10 Original release date: 2012-08-30

Authors: Dong, Xu; Williams, Christopher; Crump, Matthew; Wattana-amorn, Pakorn

Citation: Dong, Xu; Williams, Christopher; Wattana-amorn, Pakorn; Crump, Matthew. "Structural studies on Mupirocin didomain Acyl Carrier Protein"  Not known ., .-..

Assembly members:
Mupirocin_didomain_ACP, polymer, 212 residues, Formula weight is not available

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 294   Superkingdom: bacteria   Kingdom: not available   Genus/species: Pseudomonas fluorescens

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

Entity Sequences (FASTA):
Mupirocin_didomain_ACP: MGSSHHHHHHSSGLVPRGSH MVADDECAQFLRQSLAAMLY CEPGQIRDGSRFLELGLDSV IAAQWIREINKHYQLKIPAD GIYTYPVFKAFTQWVGTQLQ PTQATAAPVQREPVATAPQP GAQASAQRESIQDYLKQSLG ELLFLDPGQLRSGAQFLDLG MDSVTGTQWMRGVSRHFSIQ LAADAIYTWPTLKSLADEVD RRVQLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts660
15N chemical shifts180
1H chemical shifts1221

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Mupirocin_didomain_ACP1

Entities:

Entity 1, Mupirocin_didomain_ACP 212 residues - Formula weight is not available

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METVALALAASPASPGLUCYSALAGLNPHE
4   LEUARGGLNSERLEUALAALAMETLEUTYR
5   CYSGLUPROGLYGLNILEARGASPGLYSER
6   ARGPHELEUGLULEUGLYLEUASPSERVAL
7   ILEALAALAGLNTRPILEARGGLUILEASN
8   LYSHISTYRGLNLEULYSILEPROALAASP
9   GLYILETYRTHRTYRPROVALPHELYSALA
10   PHETHRGLNTRPVALGLYTHRGLNLEUGLN
11   PROTHRGLNALATHRALAALAPROVALGLN
12   ARGGLUPROVALALATHRALAPROGLNPRO
13   GLYALAGLNALASERALAGLNARGGLUSER
14   ILEGLNASPTYRLEULYSGLNSERLEUGLY
15   GLULEULEUPHELEUASPPROGLYGLNLEU
16   ARGSERGLYALAGLNPHELEUASPLEUGLY
17   METASPSERVALTHRGLYTHRGLNTRPMET
18   ARGGLYVALSERARGHISPHESERILEGLN
19   LEUALAALAASPALAILETYRTHRTRPPRO
20   THRLEULYSSERLEUALAASPGLUVALASP
21   ARGARGVALGLNLEUGLUHISHISHISHIS
22   HISHIS

Samples:

sample_1: sodium phosphate 20 mM; DTT 5 mM; H2O 95%; H2O 5%; Mupirocin_didomain_ACP 800 uM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

ARIA v2.2, Linge, O, . - structure solution

NMR spectrometers:

  • Varian VNMRS 600 MHz

Related Database Links:

PDB
GB AAM12909 KFF43108
REF WP_032877030

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