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 17355

Title: NMR solution structure of meACP   PubMed: 21674045

Authors: Lim, Jack Wee; Yang, Daiwen; Rong, Kong; Murugan, Elavazhagan; Ho, Lawrence; Liang, Zhao-Xun

Citation: Lim, Jack Wee; Rong, Kong; Murugan, Elavazhagan; Ho, Lawrence; Liang, Zhao-Xun; Yang, Daiwen. "Solution structures of the acyl carrier protein domain from the highly reducing type I iterative polyketide synthase CalE8"  PLoS One 6, e20549-e20549 (2011).

Assembly members:
meACP, polymer, 102 residues, 11222.739 Da.

Natural source:   Common Name: Micromonospora echinospora   Taxonomy ID: 1877   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Micromonospora echinospora

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

Entity Sequences (FASTA):
meACP: MARADDTALPAATGALELVR HLVAERAELPVEVLRDDSRF LDDLHMSSITVGQLVNEAAR AMGLSAVAMPTNFATATVRE MAEALEAREREAPHLEHHHH HH

Data sets:
Data typeCount
13C chemical shifts304
15N chemical shifts94
1H chemical shifts591

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1meACP1

Entities:

Entity 1, meACP 102 residues - 11222.739 Da.

1   METALAARGALAASPASPTHRALALEUPRO
2   ALAALATHRGLYALALEUGLULEUVALARG
3   HISLEUVALALAGLUARGALAGLULEUPRO
4   VALGLUVALLEUARGASPASPSERARGPHE
5   LEUASPASPLEUHISMETSERSERILETHR
6   VALGLYGLNLEUVALASNGLUALAALAARG
7   ALAMETGLYLEUSERALAVALALAMETPRO
8   THRASNPHEALATHRALATHRVALARGGLU
9   METALAGLUALALEUGLUALAARGGLUARG
10   GLUALAPROHISLEUGLUHISHISHISHIS
11   HISHIS

Samples:

sample_1: sodium phosphate 50 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM; meACP, [U-99% 13C; U-99% 15N], 1 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.85; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
4D timeshared15N-13C edited NOESYsample_1isotropicsample_conditions_1
3D MQ-(H)CCH-TOCSYsample_1isotropicsample_conditions_1

Software:

NMRspy v20101110, Zheng Yu - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

Molmol v2K.2, Koradi, Billeter and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AAM94794 ACG56282