BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 26511

Title: Anisotropic rotational diffusion of perdeuterated HIV protease from 15N NMR relaxation measurements at two magnetic fields   PubMed: 8953218

Authors: Tjandra, Nico; Wingfield, Paul; Stahl, Stephen; Bax, Ad

Citation: Tjandra, Nico; Wingfield, Paul; Stahl, Stephen; Bax, Ad. "Anisotropic rotational diffusion of perdeuterated HIV protease from 15N NMR relaxation measurements at two magnetic fields"  J. Biomol. NMR 8, 273-284 (1996).

Assembly members:
protease, polymer, 97 residues, Formula weight is not available
[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE, non-polymer, 566.687 Da.

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

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
protease: PQVTLWQRPLVTIKIGGQLK EALLDTGADDTVLEEMSLGR WKKMIGGIGGFIKVRQYDQI LIEIAGHKAIGTVLVGPTPV NIIGRNLLTQIGATLNF

Data typeCount
heteronuclear NOE values77
T1 relaxation values156
T2 relaxation values156
order parameters462

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1protease, 11
2protease, 21
3DMP323, 12
4DMP323, 22

Entities:

Entity 1, protease, 1 97 residues - Formula weight is not available

1   PROGLNVALTHRLEUTRPGLNARGPROLEU
2   VALTHRILELYSILEGLYGLYGLNLEULYS
3   GLUALALEULEUASPTHRGLYALAASPASP
4   THRVALLEUGLUGLUMETSERLEUGLYARG
5   TRPLYSLYSMETILEGLYGLYILEGLYGLY
6   PHEILELYSVALARGGLNTYRASPGLNILE
7   LEUILEGLUILEALAGLYHISLYSALAILE
8   GLYTHRVALLEUVALGLYPROTHRPROVAL
9   ASNILEILEGLYARGASNLEULEUTHRGLN
10   ILEGLYALATHRLEUASNPHE

Entity 2, DMP323, 1 - C35 H38 N2 O5 - 566.687 Da.

1   DMP

Samples:

sample_1: protease, [U-100% 15N; >85% 2H], 1.5 mM; DMP323 1.5 mM; sodium acetate 50 mM; H2O 95%; D2O 5%

sample_conditions_1: temperature: 300 K; pH: 5.2; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
15N-{1H} NOEsample_1isotropicsample_conditions_1
15N-{1H} NOEsample_1isotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Bruker AMX 360 MHz
  • Bruker AMX 600 MHz

Related Database Links:

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