BMRB Entry 27158

Name: NMR study of non-structural proteins part III: 1H, 13C, 15N resonance assignment of macro domain from Chikungunya virus (CHIKV)
Published: 2017-09-29

Click here to enlarge.

PDB ID: 7p27
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27158
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

NMR study of non-structural proteins part III: 1H, 13C, 15N resonance assignment of macro domain from Chikungunya virus (CHIKV)

Deposition date:

2017-06-22

Original release date:

2017-09-29

Authors:

Lykouras, Michail; Tsika, Aikaterini; Lichiere, Julie; Papageorgiou, Nicolas; Coutard, Bruno; Bentrop, Detlef; Spyroulias, Georgios

Citation:

Citation: Lykouras, Michail; Tsika, Aikaterini; Lichiere, Julie; Papageorgiou, Nicolas; Coutard, Bruno; Bentrop, Detlef; Spyroulias, Georgios. "NMR study of non-structural proteins-part III: 1H, 13C, 15N backbone and side-chain resonance assignment of macro domain from Chikungunya virus (CHIKV)" Biomol. NMR Assignments 12, 31-35 (2018).
PubMed: 28875416

Assembly members:

Assembly members:
CHIKV_macro_domain, polymer, 168 residues, 18605.07 Da.

Natural source:

Natural source: Common Name: Chikungunya virus strain S27-African prototype Taxonomy ID: 371094 Superkingdom: Viruses Kingdom: not available Genus/species: Alphavirus Chikungunya virus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDest 14

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CHIKV_macro_domain: MKHHHHHHAPSYRVKRMDIA KNDEECVVNAANPRGLPGDG VCKAVYKKWPESFKNSATPV GTAKTVMCGTYPVIHAVGPN FSNYSESEGDRELAAAYREV AKEVTRLGVNSVAIPLLSTG VYSGGKDRLTQSLNHLFTAM DSTDADVVIYCRDKEWEKKI SEAIQMRT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	604
15N chemical shifts	137
1H chemical shifts	929

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CHIKV macro domain	1

Entities:

Entity 1, CHIKV macro domain 168 residues - 18605.07 Da.

1

MET

LYS

HIS

ALA

PRO

2

SER

TYR

ARG

VAL

LYS

ARG

MET

ASP

ILE

ALA

3

LYS

ASN

ASP

GLU

CYS

VAL

ASN

ALA

4

ALA

ASN

PRO

ARG

GLY

LEU

PRO

GLY

ASP

GLY

5

VAL

CYS

LYS

ALA

VAL

TYR

LYS

TRP

PRO

6

GLU

SER

PHE

LYS

ASN

SER

ALA

THR

PRO

VAL

7

GLY

THR

ALA

LYS

THR

VAL

MET

CYS

GLY

THR

8

TYR

PRO

VAL

ILE

HIS

ALA

VAL

GLY

PRO

ASN

9

PHE

SER

ASN

TYR

SER

GLU

SER

GLU

GLY

ASP

10

ARG

GLU

LEU

ALA

TYR

ARG

GLU

VAL

11

ALA

LYS

GLU

VAL

THR

ARG

LEU

GLY

VAL

ASN

12

SER

VAL

ALA

ILE

PRO

LEU

SER

THR

GLY

13

VAL

TYR

SER

GLY

LYS

ASP

ARG

LEU

THR

14

GLN

SER

LEU

ASN

HIS

LEU

PHE

THR

ALA

MET

15

ASP

SER

THR

ASP

ALA

ASP

VAL

ILE

TYR

16

CYS

ARG

ASP

LYS

GLU

TRP

GLU

LYS

ILE

17

SER

GLU

ALA

ILE

GLN

MET

ARG

THR

Samples:

sample_1: CHIKV macro domain, [U-99% 15N], 0.6 mM; soduim chloride 20 mM; Hepes 10 mM

sample_2: CHIKV macro domain, [U-99% 13C; U-99% 15N], 0.6 mM; soduim chloride 20 mM; Hepes 10 mM

sample_3: CHIKV macro domain 0.3 mM; soduim chloride 20 mM; Hepes 10 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

CARA v1.5.5, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance HD-III H 700 MHz

UNP	Q8JUX6
AlphaFold	Q8JUX6