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BMRB: 30397

6C44

Zika virus capsid protein

Authors

Morando, M.A., Barbosa, G.M., Cruz-Oliveira, C., Da Poian, A.T., Almeida, F.C.L.

Assembly

Capsid protein

Entity

1. Capsid protein (polymer, Thiol state: not present), 104 monomers, 11648.22 × 2 Da Detail

MKNPKKKSGG FRIVNMLKRG VARVSPFGGL KRLPAGLLLG HGPIRMVLAI LAFLRFTAIK PSLGLINRWG SVGKKEAMEI IKKFKKDLAA MLRIINARKE KKRR

Total weight

23296.44 Da

Max. entity weight

11648.22 Da

Source organism

Zika virus

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.9 %, Completeness (bb): 97.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.9 % (1157 of 1302)	86.6 % (602 of 695)	90.9 % (457 of 503)	94.2 % (98 of 104)
Backbone	97.2 % (597 of 614)	95.8 % (205 of 214)	98.0 % (295 of 301)	98.0 % (97 of 99)
Sidechain	83.4 % (651 of 781)	82.5 % (397 of 481)	85.8 % (253 of 295)	20.0 % (1 of 5)
Aromatic	24.2 % (16 of 66)	24.2 % (8 of 33)	21.9 % (7 of 32)	100.0 % (1 of 1)
Methyl	100.0 % (128 of 128)	100.0 % (64 of 64)	100.0 % (64 of 64)

1. entity 1

MKNPKKKSGG FRIVNMLKRG VARVSPFGGL KRLPAGLLLG HGPIRMVLAI LAFLRFTAIK PSLGLINRWG SVGKKEAMEI IKKFKKDLAA MLRIINARKE KKRR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ZIKVC	[U-99% 13C; U-99% 15N]		300 (±0.1) uM

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: -0.03 ppm, Outliers: 3 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: -0.03 ppm, Outliers: 3 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: 0.0 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: -0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6C44, Strand ID: A, B Detail

Release date

2018-04-01

Citation

Dynamics of Zika Virus Capsid Protein in Solution: The Properties and Exposure of the Hydrophobic Cleft Are Controlled by the α-Helix 1 Sequence
Morando, M.A., Barbosa, G.M., Cruz-Oliveira, C., Da Poian, A.T., Almeida, F.C.L.
Biochemistry (2019), 58, 2488-2498, PubMed 31034208 , DOI 10.1021/acs.biochem.9b00194 , Abstract

Related entities 1. Capsid protein, : 1 : 2 : 1 : 70 entities Detail

Experiments performed 12 experiments Detail

1 3D HNCO