BMRB Entry 17603

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17603
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant
Deposition date:
2011-04-26
Original release date:
2011-06-01
Authors:
Bouvignies, Guillaume; Vallurupalli, Pramodh; Hansen, D. Flemming; Correia, Bruno; Lange, Oliver; Bah, Alaji; Vernon, Robert; Dahlquist, Frederick; Baker, David; Kay, Lewis
Citation:

Citation: Bouvignies, Guillaume; Vallurupalli, Pramodh; Hansen, D. Flemming; Correia, Bruno; Lange, Oliver; Bah, Alaji; Vernon, Robert; Dahlquist, Frederick; Baker, David; Kay, Lewis. "Solution structure of a minor and transiently formed state of a T4 lysozyme mutant."  Nature 477, 111-114 (2011).
PubMed: 21857680

Assembly members:

Assembly members:
T4_L99A/G113A/R119P, polymer, 164 residues, 18540.383 Da.

Natural source:

Natural source:   Common Name: T4 Phage   Taxonomy ID: not available   Superkingdom: Viruses   Kingdom: not available   Genus/species: T4 Phage

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-29B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
T4_L99A/G113A/R119P: MNIFEMLRIDEGLRLKIYKD TEGYYTIGIGHLLTKSPSLN AAKSELDKAIGRNTNGVITK DEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAAAI NMVFQMGETGVAAFTNSLPM LQQKRWDEAAVNLAKSRWYN QTPNRAKRVITTFRTGTWDA YKNL

Data sets:
Data typeCount
13C chemical shifts474
15N chemical shifts159
1H chemical shifts327

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1T4_L99A/G113A/R119P1

Entities:

Entity 1, T4_L99A/G113A/R119P 164 residues - 18540.383 Da.

Mutant of T4 Phage Lysozyme

1   METASNILEPHEGLUMETLEUARGILEASP
2   GLUGLYLEUARGLEULYSILETYRLYSASP
3   THRGLUGLYTYRTYRTHRILEGLYILEGLY
4   HISLEULEUTHRLYSSERPROSERLEUASN
5   ALAALALYSSERGLULEUASPLYSALAILE
6   GLYARGASNTHRASNGLYVALILETHRLYS
7   ASPGLUALAGLULYSLEUPHEASNGLNASP
8   VALASPALAALAVALARGGLYILELEUARG
9   ASNALALYSLEULYSPROVALTYRASPSER
10   LEUASPALAVALARGARGALAALAALAILE
11   ASNMETVALPHEGLNMETGLYGLUTHRGLY
12   VALALAALAPHETHRASNSERLEUPROMET
13   LEUGLNGLNLYSARGTRPASPGLUALAALA
14   VALASNLEUALALYSSERARGTRPTYRASN
15   GLNTHRPROASNARGALALYSARGVALILE
16   THRTHRPHEARGTHRGLYTHRTRPASPALA
17   TYRLYSASNLEU

Samples:

sample_1: T4 L99A/G113A/R119P, [U-100% 13C; U-100% 15N], 1.5 mM; H2O 90%; D2O 10%; NaCl 25 mM; EDTA 2 mM; NaN3 2 mM; sodium phosphate 50 mM

sample_conditions_1: ionic strength: 85 mM; pH: 5.5; pressure: 1 atm; temperature: 307 K

sample_conditions_2: ionic strength: 85 mM; pH: 5.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
JMOD C'Cgsample_1isotropicsample_conditions_2
JMDO NCgsample_1isotropicsample_conditions_2

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

CcpNMR, CCPN - chemical shift assignment

CS-Rosetta, Yang Shen, Robert Vernon, David Baker and Ad Bax - structure solution

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks