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 16676

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Oryctin   PubMed: 20630859

Deposition date: 2010-01-14 Original release date: 2011-05-19

Authors: Horita, Shoichiro; Ishibashi, Jun; Nagata, Koji; Miyakawa, Takuya; Yamakawa, Minoru; Tanokura, Masaru

Citation: Horita, Shoichiro; Ishibashi, Jun; Nagata, Koji; Miyakawa, Takuya; Yamakawa, Minoru; Tanokura, Masaru. "Isolation, cDNA cloning, and structure-based functional characterization of oryctin, a hemolymph protein from the coconut rhinoceros beetle, Oryctes rhinoceros, as a novel serine protease inhibitor."  J. Biol. Chem. 285, 30150-30158 (2010).

Assembly members:
Oryctin, polymer, 66 residues, 7257.441 Da.

Natural source:   Common Name: Rhinoceros beetle   Taxonomy ID: 72550   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctes rhinoceros

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

Entity Sequences (FASTA):
Oryctin: VPVGSDCEPKLCTMDLVPHC FLNPEKGIVVVHGGCALSKY KCQNPNHEKLGYTHECEEAI KNAPRP

Data sets:
Data typeCount
13C chemical shifts238
15N chemical shifts64
1H chemical shifts381

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Oryctin1

Entities:

Entity 1, Oryctin 66 residues - 7257.441 Da.

1   VALPROVALGLYSERASPCYSGLUPROLYS
2   LEUCYSTHRMETASPLEUVALPROHISCYS
3   PHELEUASNPROGLULYSGLYILEVALVAL
4   VALHISGLYGLYCYSALALEUSERLYSTYR
5   LYSCYSGLNASNPROASNHISGLULYSLEU
6   GLYTYRTHRHISGLUCYSGLUGLUALAILE
7   LYSASNALAPROARGPRO

Samples:

sample_1: oryctin, [U-100% 13C; U-100% 15N], 2 mM; sodium chloride 100 mM; D2O 10%; H2O 90%; sodium phosphate 50 mM; sodium azide 0.02 % w/v

sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

  • Varian INOVA 500 MHz

Related Database Links:

PDB
DBJ BAA36402

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