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

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