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Biological Magnetic Resonance Data Bank


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BMRB Entry 18853

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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/BMR18853
MolProbity Validation Chart

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Title: Backbone and side-chain 1H, 13C, 15N NMR assignment of the N-terminal domain of Escherichia coli LpoA   PubMed: 24493340

Deposition date: 2012-11-23 Original release date: 2014-02-14

Authors: Jean, Nicolas; Bougault, Catherine; Derouaux, Adeline; Callens, Gilles; Vollmer, Waldemar; Simorre, Jean-Pierre

Citation: Jean, Nicolas; Bougault, Catherine; Derouaux, Adeline; Callens, Gilles; Vollmer, Waldemar; Simorre, Jean-Pierre. "Backbone and side-chain (1)H, (13)C, and (15)N NMR assignments of the N-terminal domain of Escherichia coli LpoA."  Biomol. NMR Assignments ., .-. (2014).

Assembly members:
LpoA_n-ter, polymer, 250 residues, 28020.5087 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
LpoA_n-ter: MGSSHHHHHHSSGLVPRGSH MGTHTPDQSTAYMQGTAQAD SAFYLQQMQQSSDDTRINWQ LLAIRALVKEGKTGQAVELF NQLPQELNDAQRREKTLLAV EIKLAQKDFAGAQNLLAKIT PADLEQNQQARYWQAKIDAS QGRPSIDLLRALIAQEPLLG AKEKQQNIDATWQALSSMTQ EQANTLVINADENILQGWLD LQRVWFDNRNDPDMMKAGIA DWQKRYPNNPGAKMLPTQLV NVKAFKPAST

Data sets:
Data typeCount
13C chemical shifts1036
15N chemical shifts265
1H chemical shifts1618

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1LpoA_n-ter1

Entities:

Entity 1, LpoA_n-ter 250 residues - 28020.5087 Da.

Residues 1 to 21 correspond to Hexahistidine-tag

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METGLYTHRHISTHRPROASPGLNSERTHR
4   ALATYRMETGLNGLYTHRALAGLNALAASP
5   SERALAPHETYRLEUGLNGLNMETGLNGLN
6   SERSERASPASPTHRARGILEASNTRPGLN
7   LEULEUALAILEARGALALEUVALLYSGLU
8   GLYLYSTHRGLYGLNALAVALGLULEUPHE
9   ASNGLNLEUPROGLNGLULEUASNASPALA
10   GLNARGARGGLULYSTHRLEULEUALAVAL
11   GLUILELYSLEUALAGLNLYSASPPHEALA
12   GLYALAGLNASNLEULEUALALYSILETHR
13   PROALAASPLEUGLUGLNASNGLNGLNALA
14   ARGTYRTRPGLNALALYSILEASPALASER
15   GLNGLYARGPROSERILEASPLEULEUARG
16   ALALEUILEALAGLNGLUPROLEULEUGLY
17   ALALYSGLULYSGLNGLNASNILEASPALA
18   THRTRPGLNALALEUSERSERMETTHRGLN
19   GLUGLNALAASNTHRLEUVALILEASNALA
20   ASPGLUASNILELEUGLNGLYTRPLEUASP
21   LEUGLNARGVALTRPPHEASPASNARGASN
22   ASPPROASPMETMETLYSALAGLYILEALA
23   ASPTRPGLNLYSARGTYRPROASNASNPRO
24   GLYALALYSMETLEUPROTHRGLNLEUVAL
25   ASNVALLYSALAPHELYSPROALASERTHR

Samples:

sample_1: LpoA_n-ter, [U-100% 13C; U-100% 15N], 2.0 mM; CH3COOH/CH3COONa buffer 100.0 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.100 M; pH: 4.500; pressure: 1.000 atm; temperature: 323.000 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
H[N[co[{CA|ca[C]}]]]sample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
H[N[ca[CO]]]sample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
HccoNHsample_1isotropicsample_conditions_1
2D 1H-13C HSQC/HMQC aliphaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC/HMQC aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

ANALYSIS v2.2, CCPN - Spectrum analysis and assignment

NMRDraw vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum display

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

NMR spectrometers:

  • Varian vnmrs 600 MHz
  • Varian vnmrs 800 MHz
  • Bruker US2 950 MHz

Related Database Links:

UniProt P45464
PDB
DBJ BAB37451 BAE77193 BAG78957 BAI27426 BAI32606
EMBL CAP77610 CAQ33482 CAR00111 CAR04759 CAR09810
GB AAA57950 AAC76181 AAG58283 AAN44655 AAN82341
REF NP_312055 NP_417616 NP_708948 WP_000112978 WP_000249084
SP D2A869 P45464 Q0T0D4 Q3YX94 Q8FDA1

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts