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BMRB: 16231

2KHA

Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella

Authors

Dai, H., Hiromasa, Y., Fabrick, J., VanderVelde, D., Kanost, M., Krishnamoorthi, R.

Assembly

Pathogen Recognition Domain from Plodia interpunctella

Entity

1. Pathogen Recognition Domain from Plodia interpunctella (polymer, Thiol state: all free), 113 monomers, 12954.31 Da Detail

QYVVPSAKLE AIYPRGLRVS IPDDGFSLFA FHGKLNEEMD GLEAGHWARD ITKPKEGRWT FRDRNAKLKL GDKIYFWTYV IKDGLGYRQD NGEWTVTEFV NEDGTPADTS LEP

Formula weight

12954.31 Da

Source organism

Plodia interpunctella

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.0 %, Completeness (bb): 97.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.0 % (1140 of 1341)	86.8 % (606 of 698)	80.2 % (422 of 526)	95.7 % (112 of 117)
Backbone	97.7 % (651 of 666)	99.1 % (229 of 231)	96.6 % (317 of 328)	98.1 % (105 of 107)
Sidechain	76.1 % (591 of 777)	80.7 % (377 of 467)	69.0 % (207 of 300)	70.0 % (7 of 10)
Aromatic	42.3 % (66 of 156)	82.1 % (64 of 78)	0.0 % (0 of 74)	50.0 % (2 of 4)
Methyl	99.1 % (107 of 108)	100.0 % (54 of 54)	98.1 % (53 of 54)

1. Pathogen Recognition Domain

QYVVPSAKLE AIYPRGLRVS IPDDGFSLFA FHGKLNEEMD GLEAGHWARD ITKPKEGRWT FRDRNAKLKL GDKIYFWTYV IKDGLGYRQD NGEWTVTEFV NEDGTPADTS LEP

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity_2	[U-100% 13C; U-100% 15N]		1.5-2.0 mM
2	sodium phosphate buffer	natural abundance		20 mM

LACS Plot; CA

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.78 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-08-05

Citation

Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella
Dai, H., Hiromasa, Y., An, C., Fabrick, J., VanderVelde, D., Kanost, M., Krishnamoorthi, R.
Not known

Related entities 1. Pathogen Recognition Domain from Plodia interpunctella, : 1 : 16 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC