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BMRB: 18504

2LU1

pfsub2 solution NMR structure

Authors

HE, Y., CHEN, Y., RUAN, B., O'BROCHTA, D., BRYAN, P., ORBAN, J.

Assembly

pfsub2

Entity

1. pfsub2 (polymer, Thiol state: not available), 149 monomers, 17694.09 Da Detail

TSNKKILLNV DKLVDQYLLN LKNNHTSKQE LILVLKGELD LHSKNMKNVI NNAKKNLEKY FKEHFKEFDK ISYDISTPIN FLCIFIPTLF DMNNMDLLKQ ALLILHNDLH EYVENWSFSS TYHTYEADYI KEQDSVYDRS PKKKYIKAS

Formula weight

17694.09 Da

Source organism

Plasmodium falciparum

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 65.0 %, Completeness (bb): 89.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.0 % (1225 of 1884)	60.1 % (593 of 986)	68.7 % (503 of 732)	77.7 % (129 of 166)
Backbone	89.0 % (790 of 888)	87.5 % (259 of 296)	90.6 % (404 of 446)	87.0 % (127 of 146)
Sidechain	50.0 % (572 of 1144)	48.4 % (334 of 690)	54.4 % (236 of 434)	10.0 % (2 of 20)
Aromatic	21.3 % (38 of 178)	40.4 % (36 of 89)	2.3 % (2 of 88)	0.0 % (0 of 1)
Methyl	46.4 % (78 of 168)	51.2 % (43 of 84)	41.7 % (35 of 84)

1. pfsub2

TSNKKILLNV DKLVDQYLLN LKNNHTSKQE LILVLKGELD LHSKNMKNVI NNAKKNLEKY FKEHFKEFDK ISYDISTPIN FLCIFIPTLF DMNNMDLLKQ ALLILHNDLH EYVENWSFSS TYHTYEADYI KEQDSVYDRS PKKKYIKAS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	pfsub2	[U-13C; U-15N]	0.3 ~ 0.4 mM
2	potassium phosphate	natural abundance	100 mM
3	sodium azide	natural abundance	10 mM
4	D2O	natural abundance	5 %
5	H2O	natural abundance	95 %

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: -0.31 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: -0.31 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: -0.01 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: 0.18 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LU1, Strand ID: A Detail

Release date

2012-09-30

Citation

Solution NMR structure of a sheddase inhibitor prodomain from the malarial parasite Plasmodium falciparum
He, Y., Chen, Y., Oganesyan, N., Ruan, B., Bryan, D., Orban, P.N.
Proteins (2012), 80, 2810-2817, PubMed 23011838 , DOI 10.1002/prot.24187 , Abstract