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BMRB: 36170

NMR structure of IRD7 from Capsicum annum.

Authors

Gartia, J., Barnwal, R.P., Chary, K.V.R.

Assembly

Pin-II type proteinase inhibitor 15

Entity

1. Pin-II type proteinase inhibitor 15 (polymer, Thiol state: all disulfide bound), 50 monomers, 5358.970 Da Detail

EPICTNCCAG LKGCNYYNAD GTFICEGESD PNHPKACPKN CDPNIAYSLC

Formula weight

5358.97 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS41:SG
2	disulfide	sing	1:CYS7:SG	1:CYS25:SG
3	disulfide	sing	1:CYS8:SG	1:CYS37:SG
4	disulfide	sing	1:CYS14:SG	1:CYS50:SG

Source organism

Capsicum annuum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.0 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.0 % (468 of 532)	85.9 % (238 of 277)	88.2 % (180 of 204)	98.0 % (50 of 51)
Backbone	97.6 % (283 of 290)	99.0 % (98 of 99)	95.9 % (140 of 146)	100.0 % (45 of 45)
Sidechain	80.2 % (231 of 288)	78.7 % (140 of 178)	82.7 % (86 of 104)	83.3 % (5 of 6)
Aromatic	36.8 % (14 of 38)	63.2 % (12 of 19)	10.5 % (2 of 19)
Methyl	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)

1. entity 1

EPICTNCCAG LKGCNYYNAD GTFICEGESD PNHPKACPKN CDPNIAYSLC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1.0 mM [U-95% 13C; U-95% 15N] IRD7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	IRD7	[U-95% 13C; U-95% 15N]	protein	1.0 mM
2	Phosphate	natural abundance	buffer	50 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.56 ppm, Outliers: 2 Detail

Release date

2018-06-07

Citation

¹H, ¹³C and ¹⁵N NMR assignments of two plant protease inhibitors (IRD7 and IRD12) from the plant Capsicum annuum
Gartia, J., Barnwal, R.P., Anangi, R., Giri, A.R., King, G., Chary, K.
Biomol. NMR Assign. (2018), PubMed 30229451 , DOI 10.1007/s12104-018-9846-z , Abstract

Related entities 1. Pin-II type proteinase inhibitor 15, : 1 : 31 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC