BMRB Entry 17964

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease CRF01_AE
Published: 2012-06-05

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17964

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease CRF01_AE

Deposition date: 2011-09-29 Original release date: 2012-06-05

Authors: Huang, Xi; Fanucci, Gail

Citation: Huang, Xi; Fanucci, Gail. "Backbone 1H, 13C, and 15N Chemical Shift Assignment for HIV-1 protease Variants" Biomol. NMR Assignments ., .-..

Assembly members:
HIV-1_Protease, polymer, 99 residues, Formula weight is not available

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

Experimental source: Production method: chemical synthesis Host organism: Escherichia coli

Entity Sequences (FASTA):
HIV-1_Protease: PQITLWKRPLVTVKIGGQLK EALLNTGADDTVIEDINLPG KWKPKMIGGIGGFIKVRQYD QIIIEIAGKKAIGTVLVGPT PVNIIGRNMLTQIGATLNF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	172
15N chemical shifts	90
1H chemical shifts	90

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HIV-1 Protease CRF01_AE, chain 1	1
2	HIV-1 Protease CRF01_AE, chain 2	1

Entities:

Entity 1, HIV-1 Protease CRF01_AE, chain 1 99 residues - Formula weight is not available

1

PRO

GLN

ILE

THR

LEU

TRP

LYS

ARG

PRO

LEU

2

VAL

THR

VAL

LYS

ILE

GLY

GLN

LEU

LYS

3

GLU

ALA

LEU

ASN

THR

GLY

ALA

ASP

4

THR

VAL

ILE

GLU

ASP

ILE

ASN

LEU

PRO

GLY

5

LYS

TRP

LYS

PRO

LYS

MET

ILE

GLY

ILE

6

GLY

PHE

ILE

LYS

VAL

ARG

GLN

TYR

ASP

7

GLN

ILE

GLU

ILE

ALA

GLY

LYS

8

ALA

ILE

GLY

THR

VAL

LEU

VAL

GLY

PRO

THR

9

PRO

VAL

ASN

ILE

GLY

ARG

ASN

MET

LEU

10

THR

GLN

ILE

GLY

ALA

THR

LEU

ASN

PHE

Samples:

HIV-1_Protease_CRF01_AE_sample: HIV-1 Protease CRF_01 AE, [U-100% 13C; U-100% 15N], 0.1 mM

HIV-1_Protease_CRF01_AE_sample_condition: ionic strength: 2 mM; pH: 5.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	HIV-1_Protease_CRF01_AE_sample	isotropic	HIV-1_Protease_CRF01_AE_sample_condition
3D HNCA	HIV-1_Protease_CRF01_AE_sample	isotropic	HIV-1_Protease_CRF01_AE_sample_condition
3D HNCACB	HIV-1_Protease_CRF01_AE_sample	isotropic	HIV-1_Protease_CRF01_AE_sample_condition
3D HN(CO)CA	HIV-1_Protease_CRF01_AE_sample	isotropic	HIV-1_Protease_CRF01_AE_sample_condition

Software:

xwinnmr, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

SPARKY, Goddard - peak picking, processing

NMR spectrometers:

Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts