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BMRB: 16676

2KSW

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

Authors

Horita, S., Ishibashi, J., Nagata, K., Miyakawa, T., Yamakawa, M., Tanokura, M.

Assembly

Oryctin

Entity

1. Oryctin (polymer, Thiol state: all disulfide bound), 66 monomers, 7246.303 Da Detail

VPVGSDCEPK LCTMDLVPHC FLNPEKGIVV VHGGCALSKY KCQNPNHEKL GYTHECEEAI KNAPRP

Formula weight

7246.303 Da

Source organism

Oryctes rhinoceros

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts, H_exch_protection_factors, H_exch_rates, order_parameters

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 83.8 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.8 % (628 of 749)	82.4 % (324 of 393)	82.5 % (241 of 292)	98.4 % (63 of 64)
Backbone	96.1 % (367 of 382)	98.5 % (128 of 130)	93.3 % (180 of 193)	100.0 % (59 of 59)
Sidechain	74.8 % (320 of 428)	74.5 % (196 of 263)	75.0 % (120 of 160)	80.0 % (4 of 5)
Aromatic	16.7 % (7 of 42)	33.3 % (7 of 21)	0.0 % (0 of 21)
Methyl	80.6 % (50 of 62)	93.5 % (29 of 31)	67.7 % (21 of 31)

1. Oryctin

VPVGSDCEPK LCTMDLVPHC FLNPEKGIVV VHGGCALSKY KCQNPNHEKL GYTHECEEAI KNAPRP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 13C,15N-labeled oryctin was dissolved into 50 mM sodium phosphate buffer (pH 6.8), 100 mM NaCl, 0.02% NaN3 in 90% H2O/10% D2O (v/v) to a final concentration of 2 mM.

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: -0.25 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KSW, Strand ID: A Detail

Release date

2011-05-18

Citation

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
Horita, S., Ishibashi, J., Nagata, K., Miyakawa, T., Yamakawa, M., Tanokura, M.
J. Biol. Chem. (2010), 285, 30150-30158, PubMed 20630859 , DOI 10.1074/jbc.M110.124735 , Abstract

Related entities 1. Oryctin, : 1 : 19 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 13C,15N-labeled oryctin was dissolved into 50 mM sodium phosphate buffer (pH 6.8), 100 mM NaCl, 0.02% NaN3 in 90% H2O/10% D2O (v/v) to a final concentration of 2 mM.

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

2 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

3 3D C(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

4 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

5 3D HNCA

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

6 3D HNCACB

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

7 3D HN(CO)CA

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

8 3D H(CCO)NH

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

9 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

11 3D HCCH-COSY

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

12 3D 1H-13C NOESY

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	oryctin	[U-100% 13C; U-100% 15N]	2 mM
2	sodium chloride	natural abundance	100 mM
3	D2O	natural abundance	10 %
4	H2O	natural abundance	90 %
5	sodium phosphate	natural abundance	50 mM
6	sodium azide	natural abundance	0.02 % w/v

nullKeywords Kazal-type, NMR, oryctes rhinoceros, oryctin, serine protease inhibitor

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Found 1 Document (0.815 seconds)

BMRB: 16676

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Oryctin, : 1 : 19 entities Detail

Experiments performed 12 experiments Detail

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