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Biological Magnetic Resonance Data Bank


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BMRB Entry 17995

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17995
MolProbity Validation Chart

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Title: Solution NMR structure of holo acyl carrier protein NE2163 from nitrosomonas europaea. Northeast structural genomics consortium target NET1   PubMed: 16741959

Deposition date: 2011-10-11 Original release date: 2011-11-17

Authors: Lemak, Alexander; Srisailam, Sailam; Lukin, Johnathan; Yee, Adelinda; Montecchio, Meri; Semesi, Anthony; Arrowsmith, Cheryl

Citation: Srisailam, Sailam; Lukin, Johnathan; Yee, Adelinda; Semesi, Anthony; Arrowsmith, Cheryl. "Solution structure of acyl carrier protein from Nitrosomonas Europaea"  Proteins 64, 800-803 (2006).

Assembly members:
NE2163, polymer, 105 residues, 9177.382 Da.
PNS, non-polymer, 358.348 Da.

Natural source:   Common Name: b-proteobacteria   Taxonomy ID: 915   Superkingdom: Bacteria   Kingdom: not available   Genus/species: nitrosomonas europaea

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

Entity Sequences (FASTA):
NE2163: MGSSHHHHHHSSGRENLYFQ GHMQHLEAVRNILGDVLNLG ERKHTLTASSVLLGNIPELD SMAVVNVITALEEYFDFSVD DDEISAQTFETLGSLALFVE HKLSH

Data sets:
Data typeCount
13C chemical shifts354
15N chemical shifts86
1H chemical shifts590

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1NE21631
2PNS2

Entities:

Entity 1, NE2163 105 residues - 9177.382 Da.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYARGGLUASNLEUTYRPHEGLN
3   GLYHISMETGLNHISLEUGLUALAVALARG
4   ASNILELEUGLYASPVALLEUASNLEUGLY
5   GLUARGLYSHISTHRLEUTHRALASERSER
6   VALLEULEUGLYASNILEPROGLULEUASP
7   SERMETALAVALVALASNVALILETHRALA
8   LEUGLUGLUTYRPHEASPPHESERVALASP
9   ASPASPGLUILESERALAGLNTHRPHEGLU
10   THRLEUGLYSERLEUALALEUPHEVALGLU
11   HISLYSLEUSERHIS

Entity 2, PNS - C11 H23 N2 O7 P S - 358.348 Da.

1   PNS

Samples:

sample_1: NE2163, [U-13C; U-15N], 1.0 mM; MOPS 10 mM; sodium chloride 450 mM; ZnSO4 10 uM; DTT 10 mM; NaN3 0.01%; benzamidine 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 450 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - peak picking

FMC, Lemak,Steren,Llinas, Arrowsmith - chemical shift assignment

TALOS, Cornilescu, Delaglio and Bax - data analysis

PSVS, Bhattacharya and Montelione - validation

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
EMBL CAD86074
REF WP_011112661

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