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BMRB: 7087

2H0P

1H, 13C and 15N Assignments of the Dengue-4 Envelope Protein Domain III

Authors

Volk, D.E., Lee, Y., Li, X., Beasley, D.W.C., Barrett, A.D.T., Gorenstein, D.G.

Assembly

D4ED3

Entity

1. D4ED3 (polymer, Thiol state: all disulfide bound), 112 monomers, 12217.99 Da Detail

MEKLRIKGMS YTMCSGKFSI DKEMAETQHG TTVVKVKYEG AGAPCKVPIE IRDVNKEKVV GRIISSTPLA ENTNSVTNIE LEPPFGDSYI VIGVGNSALT LHWFRKGSSI GK

Formula weight

12217.99 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS14:SG	1:CYS45:SG

Source organism

Dengue virus

Exptl. method

NMR

Refine. method

simulated annealing and restrainted molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.2 %, Completeness: 80.9 %, Completeness (bb): 83.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.9 % (1041 of 1286)	81.6 % (546 of 669)	79.9 % (402 of 503)	81.6 % (93 of 114)
Backbone	83.7 % (554 of 662)	84.3 % (194 of 230)	83.7 % (272 of 325)	82.2 % (88 of 107)
Sidechain	79.4 % (576 of 725)	80.2 % (352 of 439)	78.5 % (219 of 279)	71.4 % (5 of 7)
Aromatic	100.0 % (74 of 74)	100.0 % (37 of 37)	100.0 % (36 of 36)	100.0 % (1 of 1)
Methyl	92.9 % (117 of 126)	98.4 % (62 of 63)	87.3 % (55 of 63)

1. D4ED3

MEKLRIKGMS YTMCSGKFSI DKEMAETQHG TTVVKVKYEG AGAPCKVPIE IRDVNKEKVV GRIISSTPLA ENTNSVTNIE LEPPFGDSYI VIGVGNSALT LHWFRKGSSI GK

Show sample condition

Sample

Temperature 298 (±1) K, pH 7.5 (±0.1), Details 0.6 mM D4ED3

#	Name	Isotope labeling	Type	Concentration
1	D4ED3	[U-13C; U-15N]	protein	0.6 (±0.05) 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: -0.05 ppm, Outliers: 4 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: -0.05 ppm, Outliers: 4 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: 3 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: 0.79 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2H0P, Strand ID: A Detail

Release date

2006-10-01

Citation

NMR assignment of the dengue 4 virus envelope protein domain III
Volk, D.E., Lee, Y., Li, X., Barrett, A.D.T., Gorenstein, D.G.
J. Biomol. NMR (2006), 36 Suppl 1, 62-62, PubMed 17131034 , DOI 10.1007/s10858-006-9048-3 , Abstract

Related entities 1. D4ED3, : 1 : 1 : 1 : 4 : 172 entities Detail

Experiments performed 16 experiments Detail

1 HNCA