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BMRB: 18896

2N17

NMR STRUCTURE OF A BI-FUNCTIONAL LYSOZYME-PROTEASE INHIBITOR FROM THE DEFENSE GLAND OF COPTOTERMES FORMOSANUS SHIRAKI SOLDIERS

Authors

Negulescu, H., Guo, Y., Garner, T.P., Goodwin, O.Y., Henderson, G.P., Laine, R.A., Macnaughtan, M.A.

Assembly

BI-FUNCTIONAL LYSOZYME-PROTEASE INHIBITOR

Entity

1. BI-FUNCTIONAL LYSOZYME-PROTEASE INHIBITOR (polymer), 75 monomers, 8566.476 Da Detail

MAHHHHHHVD DDDKPEDCQL FCPMIYAPIC ATDGVSQRTF SNPCDLKVYN CWNPDNPYKE VKVGECDDAN KPVPI

Formula weight

8566.476 Da

Source organism

Coptotermes formosanus

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 78.7 %, Completeness: 59.5 %, Completeness (bb): 71.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	59.5 % (507 of 852)	56.3 % (250 of 444)	59.5 % (198 of 333)	78.7 % (59 of 75)
Backbone	71.2 % (309 of 434)	70.8 % (102 of 144)	70.0 % (156 of 223)	76.1 % (51 of 67)
Sidechain	51.1 % (251 of 491)	49.3 % (148 of 300)	51.9 % (95 of 183)	100.0 % (8 of 8)
Aromatic	47.5 % (38 of 80)	47.5 % (19 of 40)	46.2 % (18 of 39)	100.0 % (1 of 1)
Methyl	48.2 % (27 of 56)	46.4 % (13 of 28)	50.0 % (14 of 28)

1. Lyso-Prot Inhib

MAHHHHHHVD DDDKPEDCQL FCPMIYAPIC ATDGVSQRTF SNPCDLKVYN CWNPDNPYKE VKVGECDDAN KPVPI

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM TFP4 protein, 50 mM potassium phosphate, 50 mM sodium chlorid

#	Name	Isotope labeling	Concentration
1	Lyso-Prot_Inhib	[U-13C; U-15N]	1.0 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM
4	D2O	[U-99% 2H]	10 %
5	DSS	natural abundance	0.01 %
6	H2O	natural abundance	90 %

LACS Plot; CA

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

Referencing offset: -0.43 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.43 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M25, Strand ID: A Detail

Release date

2013-11-25

Related entities 1. BI-FUNCTIONAL LYSOZYME-PROTEASE INHIBITOR, : 1 : 8 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC