BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16475

Title: Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240   PubMed: 19941092

Deposition date: 2009-09-01 Original release date: 2009-12-14

Authors: Barb, Adam; Jiang, Ling; Raetz, Christian; Zhou, Pei

Citation: Barb, Adam; Jiang, Ling; Raetz, Christian; Zhou, Pei. "Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240."  Biomol. NMR Assignments 4, 37-40 (2010).

Assembly members:
LpxC, polymer, 305 residues, Formula weight is not available
L-161,240, non-polymer, 308.33 Da.
ZN, non-polymer, 65.409 Da.

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

Experimental source:   Production method: recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21* DE3   Vector: 16475

Entity Sequences (FASTA):
LpxC: MIKQRTLKRIVQATGVGLHT GKKVTLTLRPAPANTGVIYR RTDLNPPVDFPADAKSVRDT MLCTCLVNEHDVRISTVEHL NAALAGLGIDNIVIEVNAPE IPIMDGSAAPFVYLLLDAGI DELNCAKKFVRIKETVRVED GDKWAEFKPYNGFSLDFTID FNHPAIDSSNQRYAMNFSAD AFMRQISRARTFGFMRDIEY LQSRGLCLGGSFDCAIVVDD YRVLNEDGLRFEDEFVRHKM LDAIGDLFMCGHNIIGAFTA YKSGHALNNKLLQAVLAKQE AWEYVTFQDDAELPLAFKAP SAVLA

Data sets:
Data typeCount
13C chemical shifts824
15N chemical shifts275
1H chemical shifts526

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1LpxC1
2L-161,2402
3Zinc3

Entities:

Entity 1, LpxC 305 residues - Formula weight is not available

1   METILELYSGLNARGTHRLEULYSARGILE
2   VALGLNALATHRGLYVALGLYLEUHISTHR
3   GLYLYSLYSVALTHRLEUTHRLEUARGPRO
4   ALAPROALAASNTHRGLYVALILETYRARG
5   ARGTHRASPLEUASNPROPROVALASPPHE
6   PROALAASPALALYSSERVALARGASPTHR
7   METLEUCYSTHRCYSLEUVALASNGLUHIS
8   ASPVALARGILESERTHRVALGLUHISLEU
9   ASNALAALALEUALAGLYLEUGLYILEASP
10   ASNILEVALILEGLUVALASNALAPROGLU
11   ILEPROILEMETASPGLYSERALAALAPRO
12   PHEVALTYRLEULEULEUASPALAGLYILE
13   ASPGLULEUASNCYSALALYSLYSPHEVAL
14   ARGILELYSGLUTHRVALARGVALGLUASP
15   GLYASPLYSTRPALAGLUPHELYSPROTYR
16   ASNGLYPHESERLEUASPPHETHRILEASP
17   PHEASNHISPROALAILEASPSERSERASN
18   GLNARGTYRALAMETASNPHESERALAASP
19   ALAPHEMETARGGLNILESERARGALAARG
20   THRPHEGLYPHEMETARGASPILEGLUTYR
21   LEUGLNSERARGGLYLEUCYSLEUGLYGLY
22   SERPHEASPCYSALAILEVALVALASPASP
23   TYRARGVALLEUASNGLUASPGLYLEUARG
24   PHEGLUASPGLUPHEVALARGHISLYSMET
25   LEUASPALAILEGLYASPLEUPHEMETCYS
26   GLYHISASNILEILEGLYALAPHETHRALA
27   TYRLYSSERGLYHISALALEUASNASNLYS
28   LEULEUGLNALAVALLEUALALYSGLNGLU
29   ALATRPGLUTYRVALTHRPHEGLNASPASP
30   ALAGLULEUPROLEUALAPHELYSALAPRO
31   SERALAVALLEUALA

Entity 2, L-161,240 - C15H20N2O5 - 308.33 Da.

1   L-161,240

Entity 3, Zinc - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: LpxC, [U-13C; U-15N; U-2H], 1 mM; L-161,240 1 mM; Zinc 1 mM; D2O 10%; H2O 90%; NaPO4 25 mM; NaCl 100 mM

sample_2: LpxC, [U-100% 13C; U-100% 15N], 1 mM; L-161,240 1 mM; Zinc 1 mM; D2O 10%; H2O 90%; NaPO4 25 mM; NaCl 100 mM

sample_3: LpxC, [U-100% 2H], 1 mM; L-161,240 1 mM; Zinc 1 mM; D2O 100%; NaPO4 25 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 0.100 M; pH: 6.25; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1

Software:

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAB33523 BAB96664 BAG75622 BAI23460 BAI28976
EMBL CAA38873 CAD01291 CAP74665 CAQ30613 CAQ87701
GB AAA83849 AAC73207 AAG54400 AAL19098 AAN41758
PIR AC0519
REF NP_308127 NP_414638 NP_454746 NP_459139 NP_706051
SP A1A7E1 A7ZHI7 A7ZW48 A8ALK0 A9MQB6

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