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 6888

Title: 1H, 15N Assignment of Neocarzinostatin Apo-Protein complexed with Flavone   PubMed: 16568976

Deposition date: 2005-11-07 Original release date: 2007-02-06

Authors: Muskett, Frederick; Stoneman, Rhys; Caddick, Stephen; Woolfson, Derek

Citation: Caddick, Stephen; Muskett, Frederick; Stoneman, Rhys; Woolfson, Derek. "Synthetic ligands for apo-neocarzinostatin"  J. Am. Chem. Soc. 128, 4204-4205 (2006).

Assembly members:
Neocarzinostatin, polymer, 122 residues, 12213 Da.
Flavone, non-polymer, 222.239 Da.

Natural source:   Common Name: Streptomyces carzinostaticus   Taxonomy ID: 1897   Superkingdom: Eubacteria   Kingdom: Not applicable   Genus/species: Streptomyces carzinostaticus

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
Neocarzinostatin: HHHHHHLQGAAPTATVTPSS GLSDGTVVKVAGAGLQAGTA YDVGQCAWVDTGVLACNPAD FSSVTADANGSASTSLTVRR SFEGFLFDGTRWGTVDCTTA ACQVGLSDAAGNGPEGVAIS FN

Data sets:
Data typeCount
15N chemical shifts117
1H chemical shifts621

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Neocarzinostatin apo-protein1
2Flavone2

Entities:

Entity 1, Neocarzinostatin apo-protein 122 residues - 12213 Da.

1   HISHISHISHISHISHISLEUGLNGLYALA
2   ALAPROTHRALATHRVALTHRPROSERSER
3   GLYLEUSERASPGLYTHRVALVALLYSVAL
4   ALAGLYALAGLYLEUGLNALAGLYTHRALA
5   TYRASPVALGLYGLNCYSALATRPVALASP
6   THRGLYVALLEUALACYSASNPROALAASP
7   PHESERSERVALTHRALAASPALAASNGLY
8   SERALASERTHRSERLEUTHRVALARGARG
9   SERPHEGLUGLYPHELEUPHEASPGLYTHR
10   ARGTRPGLYTHRVALASPCYSTHRTHRALA
11   ALACYSGLNVALGLYLEUSERASPALAALA
12   GLYASNGLYPROGLUGLYVALALAILESER
13   PHEASN

Entity 2, Flavone - C15 H10 O2 - 222.239 Da.

1   FLVN

Samples:

sample_1: Neocarzinostatin, [U-13C; U-15N], 1 mM; Flavone 1 mM; phosphate buffer 25 mM; sodium azide 0.005 % w/w

conditions_1: ionic strength: 50 mM; pH: 5.0; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
1H15N_HSQCsample_1not availableconditions_1
1H1H15N_TOCSYHSQCsample_1not availableconditions_1
1H1H15N_NOESYHSQCsample_1not availableconditions_1
1H1H_TOCSYsample_1not availableconditions_1
1H1H_NOESYsample_1not availableconditions_1
1H1H15N_HNHAsample_1not availableconditions_1
1H1H15N_HNHBsample_1not availableconditions_1

Software:

NMRPipe - processing

CYANA - refinement

SPARKY - assignment

HADDOCK v1.2 -

NMR spectrometers:

  • Varian Inova 600 MHz
  • Varian UnityPlus 500 MHz

Related Database Links:

BMRB 1766 5343 5344 5969 695
PDB
DBJ BAA01764 BAB83894
GB AAB28103 AAM77994
SP P0A3R9 P0A3S0
AlphaFold P0A3R9 P0A3R9 P0A3S0 P0A3S0

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