BMRB Entry 19072

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease Bmut5
Published: 2013-03-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19072

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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 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease Bmut5

Deposition date:

2013-03-04

Original release date:

2013-03-13

Authors:

Huang, Xi; Fanucci, Gail

Citation:

Citation: Huang, Xi; de Vera, Ian Mitchelle S; Veloro, Angelo; Rocca, James; Simmerling, Carlos; Dunn, Ben; Fanucci, Gail. "Backbone H, C, and N chemical shift assignment for HIV-1 protease subtypes and multi-drug resistant variant MDR 769." Biomol. NMR Assignments 7, 199-202 (2013).
PubMed: 22752791

Assembly members:

Assembly members:
HIV-1_PR_Homodimer_Bmut5, polymer, 99 residues, 21115.04 Da.

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: chemical synthesis Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HIV-1_PR_Homodimer_Bmut5: PQITLWKRPLVTIKVGGQLK EALLNTGADDTVIEDMNLPG KWKPKMIGGIGGFIKVKQYD QIIIEIAGHKAIGTVLVGPT PVNIIGRNLLTQIGATLNF

Data sets:

heteronucl_NOEs
- heteronuclear_noe_list_1
heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T2_relaxation
- heteronuclear_T2_list_1

Data type	Count
heteronuclear NOE values	89
T1 relaxation values	89
T2 relaxation values	89

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HIV-1 Protease Bmut5, 1	1
2	HIV-1 Protease Bmut5, 2	1

Entities:

Entity 1, HIV-1 Protease Bmut5, 1 99 residues - 21115.04 Da.

1

PRO

GLN

ILE

THR

LEU

TRP

LYS

ARG

PRO

LEU

2

VAL

THR

ILE

LYS

VAL

GLY

GLN

LEU

LYS

3

GLU

ALA

LEU

ASN

THR

GLY

ALA

ASP

4

THR

VAL

ILE

GLU

ASP

MET

ASN

LEU

PRO

GLY

5

LYS

TRP

LYS

PRO

LYS

MET

ILE

GLY

ILE

6

GLY

PHE

ILE

LYS

VAL

LYS

GLN

TYR

ASP

7

GLN

ILE

GLU

ILE

ALA

GLY

HIS

LYS

8

ALA

ILE

GLY

THR

VAL

LEU

VAL

GLY

PRO

THR

9

PRO

VAL

ASN

ILE

GLY

ARG

ASN

LEU

10

THR

GLN

ILE

GLY

ALA

THR

LEU

ASN

PHE

Samples:

sample_1: HIV-1 PR Homodimer Bmut5, [U-100% 13C; U-100% 15N], 0.1 mM

sample_conditions_1: ionic strength: 2 mM; pH: 5.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
1H-15N heteronuclear NOE	sample_1	isotropic	sample_conditions_1
1H-15N heteronuclear T1	sample_1	isotropic	sample_conditions_1
1H-15N heteronuclear T2	sample_1	isotropic	sample_conditions_1

Software:

No software information available

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz