BMRB Entry 26996

Name: Backbone assignments for NS2b, NS3 complex
Published: 2017-08-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26996

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

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Title:

Backbone assignments for NS2b, NS3 complex

Deposition date:

2017-01-18

Original release date:

2017-08-10

Authors:

Agback, Peter; Woestenenk, Esmeralda

Citation:

Citation: Woestenenk, Esmeralda; Agback, Peter; Unnerstale, Sofia; Henderson, Ian; Agback, Tatiana. "Co-refolding of a functional complex of Dengue NS3 protease and NS2B co-factor domain and backbone resonance assignment by solution NMR" Protein Expr. Purif. 140, 16-27 (2017).
PubMed: 28751017

Assembly members:

Assembly members:
NS2B, polymer, 70 residues, Formula weight is not available
NS3, polymer, 194 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NS2B: MGSSHHHHHHSSGLVPRGSH MLEADLELERAADVRWEEQA EISGSSPILSITISEDGSMS IKNEEEEQTL
NS3: MSHHHHHHSAGVLWDVPSPP PVGKAELEDGAYRIKQKGIL GYSQIGAGVYKEGTFHTMWH VTRGAVLMHKGKRIEPSWAD VKKDLISYGGGWKLEGEWKE GEEVQVLALEPGKNPRAVQT KPGLFKTNTGTIGAVSLDFS PGTSGSPIVDKKGKVVGLYG NGVVTRSGAYVSAIAQTEKS IEDNPEIEDDIFRK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2

Data type	Count
13C chemical shifts	332
15N chemical shifts	193
1H chemical shifts	193

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NS2B	1
2	NS3	2

Entities:

Entity 1, NS2B 70 residues - Formula weight is not available

1	MET	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS	HIS
2	SER	SER	GLY	LEU	VAL	PRO	ARG	GLY	SER	HIS
3	MET	LEU	GLU	ALA	ASP	LEU	GLU	LEU	GLU	ARG
4	ALA	ALA	ASP	VAL	ARG	TRP	GLU	GLU	GLN	ALA
5	GLU	ILE	SER	GLY	SER	SER	PRO	ILE	LEU	SER
6	ILE	THR	ILE	SER	GLU	ASP	GLY	SER	MET	SER
7	ILE	LYS	ASN	GLU	GLU	GLU	GLU	GLN	THR	LEU

Entity 2, NS3 194 residues - Formula weight is not available

1

MET

SER

HIS

SER

ALA

2

GLY

VAL

LEU

TRP

ASP

VAL

PRO

SER

PRO

3

PRO

VAL

GLY

LYS

ALA

GLU

LEU

GLU

ASP

GLY

4

ALA

TYR

ARG

ILE

LYS

GLN

LYS

GLY

ILE

LEU

5

GLY

TYR

SER

GLN

ILE

GLY

ALA

GLY

VAL

TYR

6

LYS

GLU

GLY

THR

PHE

HIS

THR

MET

TRP

HIS

7

VAL

THR

ARG

GLY

ALA

VAL

LEU

MET

HIS

LYS

8

GLY

LYS

ARG

ILE

GLU

PRO

SER

TRP

ALA

ASP

9

VAL

LYS

ASP

LEU

ILE

SER

TYR

GLY

10

GLY

TRP

LYS

LEU

GLU

GLY

GLU

TRP

LYS

GLU

11

GLY

GLU

VAL

GLN

VAL

LEU

ALA

LEU

GLU

12

PRO

GLY

LYS

ASN

PRO

ARG

ALA

VAL

GLN

THR

13

LYS

PRO

GLY

LEU

PHE

LYS

THR

ASN

THR

GLY

14

THR

ILE

GLY

ALA

VAL

SER

LEU

ASP

PHE

SER

15

PRO

GLY

THR

SER

GLY

SER

PRO

ILE

VAL

ASP

16

LYS

GLY

LYS

VAL

GLY

LEU

TYR

GLY

17

ASN

GLY

VAL

THR

ARG

SER

GLY

ALA

TYR

18

VAL

SER

ALA

ILE

ALA

GLN

THR

GLU

LYS

SER

19

ILE

GLU

ASP

ASN

PRO

GLU

ILE

GLU

ASP

20

ILE

PHE

ARG

LYS

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
3D HNCA	sample_3	isotropic	sample_conditions_1
3D HN(CO)CA	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 26996

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	MET	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS	HIS
2	SER	SER	GLY	LEU	VAL	PRO	ARG	GLY	SER	HIS
3	MET	LEU	GLU	ALA	ASP	LEU	GLU	LEU	GLU	ARG
4	ALA	ALA	ASP	VAL	ARG	TRP	GLU	GLU	GLN	ALA
5	GLU	ILE	SER	GLY	SER	SER	PRO	ILE	LEU	SER
6	ILE	THR	ILE	SER	GLU	ASP	GLY	SER	MET	SER
7	ILE	LYS	ASN	GLU	GLU	GLU	GLU	GLN	THR	LEU

1	MET	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS	HIS
2	SER	SER	GLY	LEU	VAL	PRO	ARG	GLY	SER	HIS
3	MET	LEU	GLU	ALA	ASP	LEU	GLU	LEU	GLU	ARG
4	ALA	ALA	ASP	VAL	ARG	TRP	GLU	GLU	GLN	ALA
5	GLU	ILE	SER	GLY	SER	SER	PRO	ILE	LEU	SER
6	ILE	THR	ILE	SER	GLU	ASP	GLY	SER	MET	SER
7	ILE	LYS	ASN	GLU	GLU	GLU	GLU	GLN	THR	LEU

1	MET	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS	HIS
2	SER	SER	GLY	LEU	VAL	PRO	ARG	GLY	SER	HIS
3	MET	LEU	GLU	ALA	ASP	LEU	GLU	LEU	GLU	ARG
4	ALA	ALA	ASP	VAL	ARG	TRP	GLU	GLU	GLN	ALA
5	GLU	ILE	SER	GLY	SER	SER	PRO	ILE	LEU	SER
6	ILE	THR	ILE	SER	GLU	ASP	GLY	SER	MET	SER
7	ILE	LYS	ASN	GLU	GLU	GLU	GLU	GLN	THR	LEU