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 15002

Title: Solution structure of the THAP domain from C. elegans C-terminal binding protein (CtBP)   PubMed: 17174978

Authors: Liew, Chu Kong; Crossley, Merlin; Mackay, Joel; Nicholas, Hannah

Citation: Liew, Chu Kong; Crossley, Merlin; Mackay, Joel; Nicholas, Hannah. "Solution structure of the THAP domain from Caenorhabditis elegans C-terminal binding protein (CtBP)"  J. Mol. Biol. 366, 382-390 (2007).

Assembly members:
CtBP THAP domain, polymer, 91 residues, 10536.343 Da.
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: C. elegans   Taxonomy ID: 6239   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Caenorhabditis elegans

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

Entity Sequences (FASTA):
CtBP THAP domain: GSMPTTCGFPNCKFRSRYRG LEDNRHFYRIPKRPLILRQR WLTAIGRTEETVVSQLRICS AHFEGGEKKEGDIPVPDPTV DKQIKIELPPK

Data sets:
Data typeCount
13C chemical shifts412
15N chemical shifts95
1H chemical shifts641
chemical shifts28

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Polypeptide chain1
2ZINC (II) ION2

Entities:

Entity 1, Polypeptide chain 91 residues - 10536.343 Da.

Residues 1 and 2 are non-native residues left over following thrombin cleavage

1   GLYSERMETPROTHRTHRCYSGLYPHEPRO
2   ASNCYSLYSPHEARGSERARGTYRARGGLY
3   LEUGLUASPASNARGHISPHETYRARGILE
4   PROLYSARGPROLEUILELEUARGGLNARG
5   TRPLEUTHRALAILEGLYARGTHRGLUGLU
6   THRVALVALSERGLNLEUARGILECYSSER
7   ALAHISPHEGLUGLYGLYGLULYSLYSGLU
8   GLYASPILEPROVALPROASPPROTHRVAL
9   ASPLYSGLNILELYSILEGLULEUPROPRO
10   LYS

Entity 2, ZINC (II) ION - Zn - 65.409 Da.

1   ZN

Samples:

Unlabelled_sample: CtBP THAP domain 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; DSS 0.1 mM

15N_sample: CtBP THAP domain, [U-99% 15N], 0.4 – 0.5 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; DSS 0.1 mM

15N_13C_labelled_sample: CtBP THAP domain, [U-98% 13C; U-98% 15N], 0.6 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; DSS 0.1 mM

D2O_sample: CtBP THAP domain, [U-98% 13C; U-98% 15N], 0.6 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; DSS 0.1 mM

condition_H2O: ionic strength: 0.12 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

condition_D2O: ionic strength: 0.12 M; pH: 6.9; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCO15N_13C_labelled_sampleisotropiccondition_H2O
3D HNCA15N_13C_labelled_sampleisotropiccondition_H2O
3D HNCACB15N_13C_labelled_sampleisotropiccondition_H2O
3D HN(CO)CA15N_13C_labelled_sampleisotropiccondition_H2O
3D CBCACONH15N_13C_labelled_sampleisotropiccondition_H2O
3D HCCH-TOCSYD2O_sampleisotropiccondition_D2O
3D HCCH-COSYD2O_sampleisotropiccondition_D2O
3D 1H-15N NOESY15N_sampleisotropiccondition_H2O
3D 1H-13C NOESYD2O_sampleisotropiccondition_D2O
2D NOESYUnlabelled_sampleisotropiccondition_H2O
C(CO)NH-TOCSY15N_13C_labelled_sampleisotropiccondition_H2O
H(CCO)NH-TOCSY15N_13C_labelled_sampleisotropiccondition_H2O
3D HNHA15N_sampleisotropiccondition_H2O
3D HN(CA)CO15N_13C_labelled_sampleisotropiccondition_H2O

Software:

SPARKY, T Goddard - chemical shift assignment

xwinnmr, Bruker Biospin - collection

ARIA, J Linge, S O'Donoghue and M Nilges - structure solution

TALOS, G Cornilescu, F Delaglio and A Bax - structure solution

NMR spectrometers:

  • Bruker AMX 600 MHz
  • Bruker AMX 600 MHz

Related Database Links:

UNP Q20595
PDB
EMBL CCD71569
GB EFO83049
REF NP_001257030 XP_002644759 XP_003118451
SP Q20595