BMRB Entry 51410

Name: Bicelle-bound conformation of HIV-1 gp41 ectodomain
Published: 2022-07-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51410

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: Bicelle-bound conformation of HIV-1 gp41 ectodomain PubMed: 35700771

Deposition date: 2022-04-23 Original release date: 2022-07-03

Authors: Chiliveri, Sai Chaitanya; Bax, Ad

Citation: Chiliveri, Sai Chaitanya; Louis, John; Best, Robert; Bax, Ad. "Real-time Exchange of the Lipid-bound Intermediate and Post-fusion States of the HIV-1 gp41 Ectodomain" J. Mol. Biol. 434, 167683-167683 (2022).

Assembly members:
entity_1, polymer, 72 residues, Formula weight is not available

Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJ414

Entity Sequences (FASTA):
entity_1: GSHMSGIVQQQNNLLRAIEA QQHLAQLTVWGIKQLQARSG GRGGWMEWDREINNYTSLIH SLIEESQNQQEK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	135
15N chemical shifts	68
1H chemical shifts	68

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HIV-1 gp41	1

Entities:

Entity 1, HIV-1 gp41 72 residues - Formula weight is not available

-3,G. -2,S. -1,H. 0,M. 1,S. 2,G. 3,I. 4,V. 5,Q. 6,Q. 7,Q. 8,N. 9,N. 10,L. 11,L. 12,R. 13,A. 14,I. 15,E. 16,A. 17,Q. 18,Q. 19,H. 20,L. 21,A. 22,Q. 23,L. 24,T. 25,V. 26,W. 27,G. 28,I. 29,K. 30,Q. 31,L. 32,Q. 33,A. 34,R. 35,S. 36,G. 37,G. 38,R. 39,G. 40,G. 41,W. 42,M. 43,E. 44,W. 45,D. 46,R. 47,E. 48,I. 49,N. 50,N. 51,Y. 52,T. 53,S. 54,L. 55,I. 56,H. 57,S. 58,L. 59,I. 60,E. 61,E. 62,S. 63,Q. 64,N. 65,Q. 66,Q. 67,E. 68,K.

1

GLY

SER

HIS

MET

SER

GLY

ILE

VAL

GLN

2

GLN

ASN

LEU

ARG

ALA

ILE

GLU

ALA

3

GLN

HIS

LEU

ALA

GLN

LEU

THR

VAL

TRP

4

GLY

ILE

LYS

GLN

LEU

GLN

ALA

ARG

SER

GLY

5

GLY

ARG

GLY

TRP

MET

GLU

TRP

ASP

ARG

6

GLU

ILE

ASN

TYR

THR

SER

LEU

ILE

HIS

7

SER

LEU

ILE

GLU

SER

GLN

ASN

GLN

8

GLU

LYS

Samples:

sample_1: HIV-1 gp41 ectodomain, [U-100% 13C; U-100% 15N], 200 uM; DMPC/DHPC 200 mM; sodium phosphate buffer (pH 6) 20 mM; sodium chloride 30 mM; imidazole 1 mM; ethylenediaminetetraacetic acid 0.5 mM; sodium trimethylsilylpropanesulfonate 100 uM

sample_2: HIV-1 gp41 ectodomain, [U-100% 15N; U-99% 2H], 200 uM; DMPC/DHPC 200 mM; sodium phosphate buffer (pH 6) 20 mM; sodium chloride 30 mM; imidazole 1 mM; ethylenediaminetetraacetic acid 0.5 mM; sodium trimethylsilylpropanesulfonate 100 uM

sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3 - collection

NMRPipe - processing

CcpNMR v3 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 700 MHz

Biological Magnetic Resonance Data Bank