BMRB Entry 18591

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18591
MolProbity Validation Chart

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Title:
Solution NMR studies of the dimeric regulatory subunit IlvN of the E.coli Acetohydroxyacid synthase I (AHAS I)
Deposition date:
2012-07-12
Original release date:
2013-05-28
Authors:
Karanth, Megha; Sarma, Siddhartha
Citation:

Citation: Karanth, Megha; Sarma, Siddhartha. "The coil-to-helix transition in IlvN regulates the allosteric control of Escherichia coli acetohydroxyacid synthase I"  Biochemistry 52, 70-83 (2013).
PubMed: 23205845

Assembly members:

Assembly members:
ilvN, polymer, 98 residues, Formula weight is not available
VALINE, non-polymer, 117.146 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-21a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ilvN: GSMQNTTHDNVILELTVRNH PGVMTHVCGLFARRAFNVEG ILCLPIQDSDKSHIWLLVND DQRLEQMISQIDKLEDVVKV QRNQSDPTMFNKIAVFFQ

Data sets:
Data typeCount
13C chemical shifts387
15N chemical shifts98
1H chemical shifts647

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ilvN polypeptide 11
2L-Valine 12
3ilvN polypeptide 21
4L-Valine 22

Entities:

Entity 1, ilvN polypeptide 1 98 residues - Formula weight is not available

Residues 1-2 are part of the cloning artifact

1   GLYSERMETGLNASNTHRTHRHISASPASN
2   VALILELEUGLULEUTHRVALARGASNHIS
3   PROGLYVALMETTHRHISVALCYSGLYLEU
4   PHEALAARGARGALAPHEASNVALGLUGLY
5   ILELEUCYSLEUPROILEGLNASPSERASP
6   LYSSERHISILETRPLEULEUVALASNASP
7   ASPGLNARGLEUGLUGLNMETILESERGLN
8   ILEASPLYSLEUGLUASPVALVALLYSVAL
9   GLNARGASNGLNSERASPPROTHRMETPHE
10   ASNLYSILEALAVALPHEPHEGLN

Entity 2, L-Valine 1 - C5 H11 N O2 - 117.146 Da.

1   VAL

Samples:

sample_1: IlvN, [U-98% 15N], 0.4 mM; potassium phosphate 20 mM; sodium chloride 20 mM; EDTA 1 mM; sodium azide 0.01%; L-Valine 5 mM; H2O 90%; D2O 10%

sample_2: IlvN, [U-98% 13C; U-98% 15N], 0.4 mM; potassium phosphate 20 mM; sodium chloride 20 mM; EDTA 1 mM; sodium azide 0.01%; L-Valine 5 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D trHNCACBsample_2isotropicsample_conditions_1
3D trCBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_2isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_2isotropicsample_conditions_1
2D tr 1H-13C HSQC (AROMATIC)sample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1

Software:

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

ANSIG, Kraulis - data analysis

xwinnmr, Bruker Biospin - collection

TOPSPIN, Bruker Biospin - collection

TALOS, Cornilescu, Delaglio and Bax - data analysis

PSVS, Bhattacharya and Montelione - data analysis

Molmol, Koradi, Billeter and Wuthrich - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

GB AAA62022 AAC76693
REF NP_418126
UNP P0ADF8
AlphaFold Q2M7Y3

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