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BMRB: 36171

5ZFO

NMR structure of IRD12 from Capsicum annum.

Authors

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

Assembly

Pin-II type proteinase inhibitor 38

Entity

1. Pin-II type proteinase inhibitor 38 (polymer, Thiol state: all disulfide bound), 50 monomers, 5424.011 Da Detail

NRLCTNCCAG RKGCNYYSAD GTFICEGESD PNNPKACPRN CDPNIAYSLC

Formula weight

5424.011 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

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.0 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.0 % (461 of 530)	80.9 % (225 of 278)	92.0 % (183 of 199)	100.0 % (53 of 53)
Backbone	96.9 % (283 of 292)	96.0 % (96 of 100)	96.6 % (141 of 146)	100.0 % (46 of 46)
Sidechain	78.9 % (224 of 284)	72.5 % (129 of 178)	88.9 % (88 of 99)	100.0 % (7 of 7)
Aromatic	67.6 % (23 of 34)	100.0 % (17 of 17)	35.3 % (6 of 17)
Methyl	92.9 % (26 of 28)	85.7 % (12 of 14)	100.0 % (14 of 14)

1. entity 1

NRLCTNCCAG RKGCNYYSAD GTFICEGESD PNNPKACPRN CDPNIAYSLC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0, Details 0.6 mM [U-13C; U-15N] IRD12, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	IRD12	[U-13C; U-15N]	protein	0.6 mM
2	Acetate	natural abundance	buffer	25 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: 0.04 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: 0.04 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: 0.49 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 11 models in PDB: 5ZFO, Strand ID: A Detail

Heteronucl. T₁

45 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 800 MHz, Pressure 1 atm, Temperature 298 K, pH 4.0 Detail

Heteronucl. T₂

45 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 800 MHz, Pressure 1 atm, Temperature 298 K, pH 4.0 Detail

Heteronucl. NOE

45 NOE values in 1 lists
Value type peak height, Field strength (¹H) 800 MHz, Pressure 1 atm, Temperature 298 K, pH 4.0 Detail

Heteronucl. T₁/T₂

45 T₁/T₂ values in 1 lists
Field strength (¹H) 800 MHz, Pressure 1 atm, Temperature 298 K, pH 4.0 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), 13, 31-35, PubMed 30229451 , DOI 10.1007/s12104-018-9846-z , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 36170 released on 2018-06-07
Title NMR structure of IRD7 from Capsicum annum.

Related entities 1. Pin-II type proteinase inhibitor 38, : 1 : 33 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-1H NOESY