BMRB Entry 17274

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17274

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Title:
1H, 13C, and 15N Chemical Shift Assignments for the IIA(Chitobiose)-HPr Complex of the N,N'-Diacetylchitobiose Branch of the Escherichia coli Phosphotransferase System
Deposition date:
2010-11-02
Original release date:
2012-05-22
Authors:
Jung, Young-Sang; Cai, Mengli; Clore, Marius
Citation:

Citation: Jung, Young-Sang; Cai, Mengli; Clore, G. Marius. "Solution Structure of the IIAChitobiose-HPr Complex of the N,N'-Diacetylchitobiose Branch of the Escherichia coli Phosphotransferase System."  J. Biol. Chem. 287, 23819-23829 (2012).
PubMed: 22593574

Assembly members:

Assembly members:
EII-A(CHITOBIOSE), polymer, 103 residues, Formula weight is not available
HPr, polymer, 85 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: purified from the natural source   Host organism: Escherichia coli   Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
EII-A(CHITOBIOSE): AEELEEVVMGLIINSGQARS LAYAALKQAKQGDFAAAKAM MDQSRMALNEAHLVQTKLIE GDAGEGKMKVSLVLVEAQLH LMTSMLARELITELIELHEK LKA
HPr: MFQQEVTITAPNGLHTRPAA QFVKEAKGFTSEITVTSNGK SASAKSLFKLQTLGLTQGTV VTISAEGEDEQKAVEHLVKL MAELE

Data sets:
Data typeCount
13C chemical shifts689
15N chemical shifts181
1H chemical shifts997

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Chain 11
2Chain 42

Entities:

Entity 1, Chain 1 103 residues - Formula weight is not available

1   ALAGLUGLULEUGLUGLUVALVALMETGLY
2   LEUILEILEASNSERGLYGLNALAARGSER
3   LEUALATYRALAALALEULYSGLNALALYS
4   GLNGLYASPPHEALAALAALALYSALAMET
5   METASPGLNSERARGMETALALEUASNGLU
6   ALAHISLEUVALGLNTHRLYSLEUILEGLU
7   GLYASPALAGLYGLUGLYLYSMETLYSVAL
8   SERLEUVALLEUVALGLUALAGLNLEUHIS
9   LEUMETTHRSERMETLEUALAARGGLULEU
10   ILETHRGLULEUILEGLULEUHISGLULYS
11   LEULYSALA

Entity 2, Chain 4 85 residues - Formula weight is not available

1   METPHEGLNGLNGLUVALTHRILETHRALA
2   PROASNGLYLEUHISTHRARGPROALAALA
3   GLNPHEVALLYSGLUALALYSGLYPHETHR
4   SERGLUILETHRVALTHRSERASNGLYLYS
5   SERALASERALALYSSERLEUPHELYSLEU
6   GLNTHRLEUGLYLEUTHRGLNGLYTHRVAL
7   VALTHRILESERALAGLUGLYGLUASPGLU
8   GLNLYSALAVALGLUHISLEUVALLYSLEU
9   METALAGLULEUGLU

Samples:

sample_1: IIAChb*(H89E), [13CH3-ILV]/[2H/13C/15N], 3 mM; HPr, [1H-Leu, Met, Try]/[2H/12C/14N], 1 mM; sodium phosphate 20 mM; D2O 100%

IIA(H89E)_Free: IIAChb*(H89E), [13CH3-ILV]/[2H/13C/15N], 3 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%

Free_HPr: HPr, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%

Complex_HPr: HPr, [U-100% 13C; U-100% 15N], 1 mM; IIAChb*(H89E) 3 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%

Complex_HPr_in_D2O: HPr, [U-100% 13C; U-100% 15N], 1 mM; IIAChb*(H89E) 3 mM; sodium phosphate 20 mM; D2O 10%

Free_HPr_in_D2O: HPr, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; D2O 10%

sample_conditions_1: ionic strength: 0.0 M; pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
isotope-filtered/isotope-separated intermolecular NOESYsample_1isotropicsample_conditions_1
3D H(CCO)NHIIA(H89E)_Freeisotropicsample_conditions_1
3D 1H-13C NOESYFree_HPrisotropicsample_conditions_1
3D HNCAFree_HPrisotropicsample_conditions_1
3D HN(CO)CAFree_HPrisotropicsample_conditions_1
3D HN(COCA)CBFree_HPrisotropicsample_conditions_1
3D HN(CA)CBFree_HPrisotropicsample_conditions_1
3D HNCAComplex_HPrisotropicsample_conditions_1
3D HN(CO)CAComplex_HPrisotropicsample_conditions_1
3D (COCA)CBComplex_HPrisotropicsample_conditions_1
3D (CA)CBComplex_HPrisotropicsample_conditions_1
3D 1H-13C NOESYComplex_HPrisotropicsample_conditions_1
3D H(CCO)NHComplex_HPrisotropicsample_conditions_1
3D H(CCO)NHFree_HPrisotropicsample_conditions_1
3D H(CCO)NHFree_HPr_in_D2Oisotropicsample_conditions_1
3D H(CCO)NHComplex_HPr_in_D2Oisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

MARS, (MARS) Jung, Zweckstetter - chemical shift assignment

PIPP, Garrett - data analysis

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

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Bruker DMX 500 MHz
  • Bruker DMX 600 MHz
  • Bruker DRX 600 MHz
  • Bruker DRX 800 MHz
  • Bruker DRX 900 MHz

Related Database Links:

BMRB 18379
PDB
DBJ BAA15517 BAB35865 BAG77430 BAI25752 BAI30730
EMBL CAP76230 CAQ32210 CAQ98653 CAR03096 CAR08131
GB AAA23551 AAA23552 AAA23553 AAA23554 AAA23555
REF NP_310469 NP_416250 NP_707375 WP_000522898 WP_000968907
SP P69791 P69792 P69793 P69794
AlphaFold P69791 P69792 P69793 P69794

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