BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 19287

Title: Solution structure of a chymotrypsin inhibitor from the Taiwan cobra   PubMed: 23896616

Authors: Lin, Yi-Jan; Ikeya, Teppei; Liu, Ting-Hsiu; Chang, Long-Sen

Citation: Lin, Yi-Jan; Ikeya, Teppei; Liu, Ting-Hsiu; Chang, Long-Sen. "'NMR solution structure of a Chymotrypsin inhibitor from the Taiwan cobra Naja naja atra"  Molecules 18, 8906-8918 (2013).

Assembly members:
NACI, polymer, 57 residues, 6397.088 Da.

Natural source:   Common Name: Taiwan cobra   Taxonomy ID: 8656   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Naja atra

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

Entity Sequences (FASTA):
NACI: RPRFCELAPSAGSCFAFVPS YYYNQYSNTCHSFTYSGCGG NANRFRTIDECNRTCVG

Data sets:
Data typeCount
13C chemical shifts184
15N chemical shifts58
1H chemical shifts332

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NACI1

Entities:

Entity 1, NACI 57 residues - 6397.088 Da.

1   ARGPROARGPHECYSGLULEUALAPROSER
2   ALAGLYSERCYSPHEALAPHEVALPROSER
3   TYRTYRTYRASNGLNTYRSERASNTHRCYS
4   HISSERPHETHRTYRSERGLYCYSGLYGLY
5   ASNALAASNARGPHEARGTHRILEASPGLU
6   CYSASNARGTHRCYSVALGLY

Samples:

sample_NACI: NACI, [U-13C; U-15N], 1.5 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 3.0; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_NACIisotropicsample_conditions_1
3D CBCA(CO)NHsample_NACIisotropicsample_conditions_1
3D HN(CA)COsample_NACIisotropicsample_conditions_1
3D HCACOsample_NACIisotropicsample_conditions_1
3D HBHA(CO)NHsample_NACIisotropicsample_conditions_1
2D 1H-15N HSQCsample_NACIisotropicsample_conditions_1
3D C(CO)NHsample_NACIisotropicsample_conditions_1
3D HCCH-TOCSYsample_NACIisotropicsample_conditions_1
2D CB(CGCD)HDsample_NACIisotropicsample_conditions_1
2D CB(CGCDCE)HEsample_NACIisotropicsample_conditions_1
3D 1H-15N NOESYsample_NACIisotropicsample_conditions_1
2D 1H-1H NOESYsample_NACIisotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Goddard - data analysis

VNMRJ, Varian - processing

OPAL v1.4, Luginbuhl, Guntert, Billeter and Wuthrich - geometry optimization

NMR spectrometers:

  • Varian VNMRS 600 MHz

Related Database Links:

UNP Q5ZPJ7
PDB
EMBL CAE51866 CAE51867
SP Q5ZPJ7