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 5969

Title: Solution Structure of holo-Neocarzinostatin   PubMed: 15640161

Authors: Takashima, Hiroyuki; Ishino, Tetsuya; Yoshida, Takuya; Hasuda, Katsumi; Ohkubo, Tadayasu; Kobayashi, Yuji

Citation: Takashima, Hiroyuki; Yoshida, Takuya; Ishino, Tetsuya; Hasuda, Katsumi; Ohkubo, Tadayasu; Kobayashi, Yuji. "Solution NMR structure investigation for releasing mechanism of neocarzinostatin chromophore from holoprotein. "  J. Biol. Chem. 280, 11340-11346 (2005).

Assembly members:
Neocarzinostatin, polymer, 113 residues, Formula weight is not available
CHR, non-polymer, 659.636 Da.

Natural source:   Common Name: Streptomyces carzinostaticus   Taxonomy ID: 1897   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces carzinostaticus

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):
Neocarzinostatin: AAPTATVTPSSGLSDGTVVK VAGAGLQAGTAYDVGQCAWV DTGVLACNPADFSSVTADAN GSASTSLTVRRSFEGFLFDG TRWGTVDCTTAACQVGLSDA AGNGPEGVAISFN

Data sets:
Data typeCount
1H chemical shifts682
13C chemical shifts179
15N chemical shifts115

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Neocarzinostatin1
2Neocarzinostatin chromophore2

Entities:

Entity 1, Neocarzinostatin 113 residues - Formula weight is not available

1   ALAALAPROTHRALATHRVALTHRPROSER
2   SERGLYLEUSERASPGLYTHRVALVALLYS
3   VALALAGLYALAGLYLEUGLNALAGLYTHR
4   ALATYRASPVALGLYGLNCYSALATRPVAL
5   ASPTHRGLYVALLEUALACYSASNPROALA
6   ASPPHESERSERVALTHRALAASPALAASN
7   GLYSERALASERTHRSERLEUTHRVALARG
8   ARGSERPHEGLUGLYPHELEUPHEASPGLY
9   THRARGTRPGLYTHRVALASPCYSTHRTHR
10   ALAALACYSGLNVALGLYLEUSERASPALA
11   ALAGLYASNGLYPROGLUGLYVALALAILE
12   SERPHEASN

Entity 2, Neocarzinostatin chromophore - C35 H33 N O12 - 659.636 Da.

1   CHR

Samples:

sample_1: Neocarzinostatin, [U-90% 15N; U-90% 13C], 2.5 mM; NEOCARZINOSTATIN-CHROMOPHORE, [U-10% 13C], 2.5 mM

sample_cond_1: pH: 5.0; temperature: 303 K; ionic strength: 0 M; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYsample_1not availablesample_cond_1
3D 13C-separated NOESYsample_1not availablesample_cond_1
2D NOESYsample_1not availablesample_cond_1
3D HNCAsample_1not availablesample_cond_1

Software:

X-PLOR vNIH 2.0.6 - refinement

NMR spectrometers:

  • Varian Unity 750 MHz
  • Bruker AMX 600 MHz

Related Database Links:

BMRB 1766 5343 5344 6888 695
PDB
DBJ BAA01764 BAB83894 BAB83895 BAB86365 BAB86366
GB AAB28103 AAM77994
SP P0A3R9 P0A3S0