BMRB Entry 30397

Name: Zika virus capsid protein
Published: 2019-01-11

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PDB ID: 6c44
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30397
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Zika virus capsid protein

Deposition date: 2018-01-11 Original release date: 2019-01-11

Authors: Morando, M.; Barbosa, G.; Cruz-Oliveira, C.; Da Poian, A.; Almeida, F.

Citation: Morando, M.; Barbosa, G.; Cruz-Oliveira, C.; Da Poian, A.; Almeida, F.. "Zika virus capsid protein" To be Published ., .-..

Assembly members:
entity_1, polymer, 104 residues, 11676.451 Da.

Natural source: Common Name: ZIKV Taxonomy ID: 64320 Superkingdom: Viruses Kingdom: not available Genus/species: Flavivirus ZIKV

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
entity_1: MKNPKKKSGGFRIVNMLKRG VARVSPFGGLKRLPAGLLLG HGPIRMVLAILAFLRFTAIK PSLGLINRWGSVGKKEAMEI IKKFKKDLAAMLRIINARKE KKRR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	459
15N chemical shifts	98
1H chemical shifts	750

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, chain 1	1
2	entity_1, chain 2	1

Entities:

Entity 1, entity_1, chain 1 104 residues - 11676.451 Da.

1

MET

LYS

ASN

PRO

LYS

SER

GLY

2

PHE

ARG

ILE

VAL

ASN

MET

LEU

LYS

ARG

GLY

3

VAL

ALA

ARG

VAL

SER

PRO

PHE

GLY

LEU

4

LYS

ARG

LEU

PRO

ALA

GLY

LEU

GLY

5

HIS

GLY

PRO

ILE

ARG

MET

VAL

LEU

ALA

ILE

6

LEU

ALA

PHE

LEU

ARG

PHE

THR

ALA

ILE

LYS

7

PRO

SER

LEU

GLY

LEU

ILE

ASN

ARG

TRP

GLY

8

SER

VAL

GLY

LYS

GLU

ALA

MET

GLU

ILE

9

ILE

LYS

PHE

LYS

ASP

LEU

ALA

10

MET

LEU

ARG

ILE

ASN

ALA

ARG

LYS

GLU

11

LYS

ARG

Samples:

sample_1: ZIKVC, [U-99% 13C; U-99% 15N], 300 ± 0.1 uM

sample_conditions_1: ionic strength: 0.2323 M; pH: 6.0; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

CNS v1.21, Brunger A. T. et.al. - refinement

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

CcpNMR v2.4.2, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceIII 600 MHz
Bruker AvanceIIIHD 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts