BMRB Entry 17604

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17604
MolProbity Validation Chart

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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, polymer, 164 residues, 18586.436 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: MNIFEMLRIDEGLRLKIYKD TEGYYTIGIGHLLTKSPSLN AAKSELDKAIGRNTNGVITK DEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAAAI NMVFQMGETGVAGFTNSLRM LQQKRWDEAAVNLAKSRWYN QTPNRAKRVITTFRTGTWDA YKNL

Data sets:
Data typeCount
13C chemical shifts248
15N chemical shifts158
1H chemical shifts262

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1T4_L99A1

Entities:

Entity 1, T4_L99A 164 residues - 18586.436 Da.

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

Samples:

sample_1: T4 L99A, [U-15N; U-2H], 1.5 mM; H2O 90%; D2O 10%; NaCl 25 mM; EDTA 2 mM; NaN3 2 mM; sodium phosphate 50 mM

sample_2: T4 L99A, [U-13C; U-15N; U-2H], 1.5 mM; H2O 90%; D2O 10%; NaCl 25 mM; EDTA 2 mM; NaN3 2 mM; sodium phosphate 50 mM

sample_3: T4 L99A, [U-13Ca; U-15N], 1.5 mM; D2O 100%; NaCl 25 mM; EDTA 2 mM; NaN3 2 mM; sodium phosphate 50 mM

sample_4: T4 L99A, [U-13C; U-15N; U-50% 2H], 1.5 mM; D2O 100%; NaCl 25 mM; EDTA 2 mM; NaN3 2 mM; sodium phosphate 50 mM

sample_5: T4 L99A, [ U-15N] 13CH3 Met, 1.5 mM; D2O 100%; 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: 298 K

Experiments:

NameSampleSample stateSample conditions
15N CT Trosy CPMGsample_1isotropicsample_conditions_1
15N CT Trosy CPMGsample_1isotropicsample_conditions_1
1H CT CPMGsample_1isotropicsample_conditions_1
1H CT CPMGsample_1isotropicsample_conditions_1
1H ZQ/DQ CPMGsample_1isotropicsample_conditions_1
1H ZQ/DQ CPMGsample_1isotropicsample_conditions_1
13C' CT CPMGsample_2isotropicsample_conditions_1
13C' CT CPMGsample_2isotropicsample_conditions_1
13Ca CT CPMGsample_3isotropicsample_conditions_1
13Ca CT CPMGsample_3isotropicsample_conditions_1
1Ha CT CPMGsample_4isotropicsample_conditions_1
1Ha CT CPMGsample_4isotropicsample_conditions_1
Gly 13Ca CT CPMGsample_4isotropicsample_conditions_1
Gly 1Ha CT CPMGsample_4isotropicsample_conditions_1
Gly 1Ha CT CPMGsample_4isotropicsample_conditions_1
1H-15N ZZ exchangesample_1isotropicsample_conditions_1
1H-13C Met ZZ exchangesample_5isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HMQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D MQ HNCOsample_2isotropicsample_conditions_1
3D MQ HNCOsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_4isotropicsample_conditions_1
2D 1H-13C HSQCsample_4isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - peak picking

FuDA, Flemming Hansen - Extract Peak intensities

CATIA, Flemming Hansen - CPMG data analysis

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

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

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