BMRB Entry 6800

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PDB ID: 2gg1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6800
MolProbity Validation Chart

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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:

NMR solution structure and backbone dynamics of tick-borne E-protein domain III Langat flavivirus

Deposition date:

2005-08-29

Original release date:

2006-11-06

Authors:

Mukherjee, Munia; Dutta, Kaushik; Fox, Robert

Citation:

Citation: Mukherjee, Munia; Dutta, Kaushik; White, Mark; Cowburn, David; Fox, Robert. "NMR solution structure and backbone dynamics of domain III of the E protein of tick-borne Langat flavivirus suggests a potential site for molecular recognition" Protein Sci. 15, 1342-1355 (2006).
PubMed: 16731969

Assembly members:

Assembly members:
Langat E-D3, polymer, 102 residues, 11164 Da.

Natural source:

Natural source: Common Name: Flaviviridae Taxonomy ID: 11085 Superkingdom: viruses Kingdom: Metazoa Genus/species: Flavivirus Langat virus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: H-MBP-T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Langat E-D3: GSEFGSKGLTYTVCDKTKFT WKRAPTDSGHDTVVMEVGFS GTRPCRIPVRAVAHGVPEVN VAMLITPNPTMENNGGGFIE MQLPPGDNIIYVGDLNHQWF QK

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	383
15N chemical shifts	107
1H chemical shifts	558

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LGT-E-D3 monomer	1

Entities:

Entity 1, LGT-E-D3 monomer 102 residues - 11164 Da.

1

GLY

SER

GLU

PHE

GLY

SER

LYS

GLY

LEU

THR

2

TYR

THR

VAL

CYS

ASP

LYS

THR

LYS

PHE

THR

3

TRP

LYS

ARG

ALA

PRO

THR

ASP

SER

GLY

HIS

4

ASP

THR

VAL

MET

GLU

VAL

GLY

PHE

SER

5

GLY

THR

ARG

PRO

CYS

ARG

ILE

PRO

VAL

ARG

6

ALA

VAL

ALA

HIS

GLY

VAL

PRO

GLU

VAL

ASN

7

VAL

ALA

MET

LEU

ILE

THR

PRO

ASN

PRO

THR

8

MET

GLU

ASN

GLY

PHE

ILE

GLU

9

MET

GLN

LEU

PRO

GLY

ASP

ASN

ILE

10

TYR

VAL

GLY

ASP

LEU

ASN

HIS

GLN

TRP

PHE

11

GLN

LYS

Samples:

sample_1: Langat E-D3, [U-100% 13C; U-100% 15N], 0.7 mM; Tris 10 mM; Bis-Tris 50 mM; NaCL 10 mM

sample_2: Langat E-D3, [U-99% 15N], 0.8 mM

cond_1: ionic strength: 0.1 M; pH: 6.1; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N-HSQC	not available	not available	not available
13C-HSQC	not available	not available	not available
HNCO	not available	not available	not available
CBCACONH	not available	not available	not available
HNCACB	not available	not available	not available
C(C0)NH	not available	not available	not available
HBHACONH	not available	not available	not available
HC(CO)NH	not available	not available	not available
HCCH-TOCSY	not available	not available	not available
N15-NOESY-HSQC	not available	not available	not available
N15-TOCSY-HSQC	not available	not available	not available
C13-NOESY-HSQC	not available	not available	not available

Software:

NMRView v5.04 -

NMR spectrometers:

Varian INOVA 600 MHz

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