BMRB Entry 16676

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Oryctin
Published: 2011-05-19

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PDB ID: 2ksw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16676
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Oryctin

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:

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).
PubMed: 20630859

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
H_exch_protection_factors
H_exch_rates
order_parameters

Data type	Count
13C chemical shifts	238
15N chemical shifts	64
1H chemical shifts	381

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Oryctin	1

Entities:

Entity 1, Oryctin 66 residues - 7257.441 Da.

1

VAL

PRO

VAL

GLY

SER

ASP

CYS

GLU

PRO

LYS

2

LEU

CYS

THR

MET

ASP

LEU

VAL

PRO

HIS

CYS

3

PHE

LEU

ASN

PRO

GLU

LYS

GLY

ILE

VAL

4

VAL

HIS

GLY

CYS

ALA

LEU

SER

LYS

TYR

5

LYS

CYS

GLN

ASN

PRO

ASN

HIS

GLU

LYS

LEU

6

GLY

TYR

THR

HIS

GLU

CYS

GLU

ALA

ILE

7

LYS

ASN

ALA

PRO

ARG

PRO

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

Varian INOVA 500 MHz

PDB	2KSW
DBJ	BAA36402