BMRB Entry 15126

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15126
MolProbity Validation Chart

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Title:
NMR assignments of the mannitol- specific cryptic phosphotransferase enzyme IIA CmtB from Escherichia coli
Deposition date:
2007-02-02
Original release date:
2007-10-17
Authors:
Jin, Changwen; Yu, Caifang
Citation:

Citation: Yu, Caifang; Li, You; Xia, Bin; Jin, Changwen. "Solution structure of the cryptic mannitol-specific phosphotransferase enzyme IIA CmtB from Escherichia coli"  Biochem. Biophys. Res. Commun. 362, 1001-1006 (2007).
PubMed: 17803963

Assembly members:

Assembly members:
CmtB, polymer, 147 residues, Formula weight is not available

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: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CmtB: MRLSDYFPESSISVIHSAKD WQEAIDFSMVSLLDKNYISE NYIQAIKDSTINNGPYYILA PGVAMPHARPECGALKTGMS LTLLEQGVYFPGNDEPIKLL IGLSAADADSHIGAIQALSE LLCEEEILEQLLTASSEKQL ADIISRG

Data sets:
Data typeCount
13C chemical shifts579
15N chemical shifts149
1H chemical shifts935

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CmtB1

Entities:

Entity 1, CmtB 147 residues - Formula weight is not available

1   METARGLEUSERASPTYRPHEPROGLUSER
2   SERILESERVALILEHISSERALALYSASP
3   TRPGLNGLUALAILEASPPHESERMETVAL
4   SERLEULEUASPLYSASNTYRILESERGLU
5   ASNTYRILEGLNALAILELYSASPSERTHR
6   ILEASNASNGLYPROTYRTYRILELEUALA
7   PROGLYVALALAMETPROHISALAARGPRO
8   GLUCYSGLYALALEULYSTHRGLYMETSER
9   LEUTHRLEULEUGLUGLNGLYVALTYRPHE
10   PROGLYASNASPGLUPROILELYSLEULEU
11   ILEGLYLEUSERALAALAASPALAASPSER
12   HISILEGLYALAILEGLNALALEUSERGLU
13   LEULEUCYSGLUGLUGLUILELEUGLUGLN
14   LEULEUTHRALASERSERGLULYSGLNLEU
15   ALAASPILEILESERARGGLY

Samples:

sample_1: CmtB, [U-13C; U-15N], 1.0 mM; sodium chloride 30 mM; sodium phosphate 30 mM; D2O 10%; DSS 0.01%; DTT 20 mM; sodium azide 0.01%

sample_2: CmtB, [U-15N], 1 mM; sodium chloride 30 mM; sodium phosphate 30 mM; D2O 10%; DSS 0.01%; DTT 20 mM

sample_conditions_1: ionic strength: 0.06 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection

NMRPipe v2.1, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v5, Johnson, One Moon Scientific - data analysis

AMBER v7, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAB37232 BAE76997 BAG78726 BAI27210 BAI32247
EMBL CAA51228 CAQ33244 CAQ99874 CAR19469 CAU99212
GB AAA69101 AAC75971 AAG58064 AAZ89675 ABB63157
REF NP_311836 NP_417409 WP_001236697 WP_001236701 WP_001236702
SP P69824 P69825
AlphaFold P69824 P69825

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