BMRB Entry 6867

Name: Solution structure of micelle-bound fusion domain of HIV-1 gp41
Published: 2005-12-28

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PDB ID: 2ari
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6867
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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:

Solution structure of micelle-bound fusion domain of HIV-1 gp41

Deposition date:

2005-10-20

Original release date:

2005-12-28

Authors:

Jaroniec, C.; Kaufman, J.; Stahl, S.; Viard, M.; Blumenthal, R.; Wingfield, P.; Bax, A.

Citation:

Citation: Jaroniec, C.; Kaufman, J.; Stahl, S.; Viard, M.; Blumenthal, R.; Wingfield, P.; Bax, A.. "Structure and Dynamics of Micelle-Associated Human Immunodeficiency Virus gp41 Fusion Domain" Biochemistry 44, 16167-16180 (2005).
PubMed: 16331977

Assembly members:

Assembly members:
Envelope polyprotein GP160, polymer, 39 residues, Formula weight is not available

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Envelope polyprotein GP160: PAVGIGALFLGFLGAAGSTM GAASMTLTVQADYKDDDDK

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	110
15N chemical shifts	38
1H chemical shifts	81

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Envelope polyprotein GP160	1

Entities:

Entity 1, Envelope polyprotein GP160 39 residues - Formula weight is not available

1

PRO

ALA

VAL

GLY

ILE

GLY

ALA

LEU

PHE

LEU

2

GLY

PHE

LEU

GLY

ALA

GLY

SER

THR

MET

3

GLY

ALA

SER

MET

THR

LEU

THR

VAL

GLN

4

ALA

ASP

TYR

LYS

ASP

LYS

Samples:

sample_1: Envelope polyprotein GP160, [U-2H; U-13C; U-15N], 0.7 mM; sodium dodecyl sulfate 75 mM; sodium phosphate 25 mM; sodium azide 0.05 % (w/v); H2O 93%; D2O 7%

sample_2: Envelope polyprotein GP160, [U-15N], 0.7 mM; sodium dodecyl sulfate 75 mM; sodium phosphate 25 mM; sodium azide 0.05 % (w/v); H2O 93%; D2O 7%

sample_3: Envelope polyprotein GP160, [U-15N], 0.7 mM; sodium dodecyl sulfate 75 mM; sodium phosphate 25 mM; sodium azide 0.05 % (w/v); H2O 93%; D2O 7%; polyacryalmide gel

sample_cond_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	not available	not available	not available
3D HNCA	not available	not available	not available
3D HN(CO)CA	not available	not available	not available
3D HN(CA)CB	not available	not available	not available
2D HNCG	not available	not available	not available
3D 15N-separated TOCSY	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available
3D HNHA	not available	not available	not available

Software:

xwinnmr v2.6 & 3.5, Bruker - collection

NMRPipe v2.3, Delaglio - data analysis, processing

SPARKY v3.11, Goddard - data analysis

X-PLOR NIH v2.9.4, Schwieters - refinement

NMR spectrometers:

Bruker DRX 800 MHz

PDB	2ARI
DBJ	BAD66665 BAE96228 BAE96229 BAE96230 BAE96231
EMBL	CAA25903 CAA43618 CAA43620 CAA77628
GB	AAA44205 AAA44661 AAA44679 AAA44850 AAA44992
PRF	1102247A 1103299B 1923361A 2207165U 2207165V
REF	NP_057856 NP_579895
SP	P03375 P04578 P04582 P04624 P19551
AlphaFold	P03375 P04578 P04582 P04624 P19551