BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25344

Title: Calcium bound calmodulin C-terminal domain, E140Q mutant   PubMed: 25569628

Authors: Lundstrom, Patrik

Citation: Niklasson, Markus; Ahlner, Alexandra; Andresen, Cecilia; Marsh, Joseph; Lundstrom, Patrik. "Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches"  PLOS Comput. Biol. 11, e1004022-e1004022 (2015).

Assembly members:
CaM_E140Q_Tr2C, polymer, 73 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
CaM_E140Q_Tr2C: MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEQFVQMMTAK

Data sets:
Data typeCount
13C chemical shifts305
15N chemical shifts71
1H chemical shifts473

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1subunit 11
2calcium ion2

Entities:

Entity 1, subunit 1 73 residues - Formula weight is not available

1   METLYSASPTHRASPSERGLUGLUGLUILE
2   ARGGLUALAPHEARGVALPHEASPLYSASP
3   GLYASNGLYTYRILESERALAALAGLULEU
4   ARGHISVALMETTHRASNLEUGLYGLULYS
5   LEUTHRASPGLUGLUVALASPGLUMETILE
6   ARGGLUALAASPILEASPGLYASPGLYGLN
7   VALASNTYRGLUGLNPHEVALGLNMETMET
8   THRALALYS

Entity 2, calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: CaM E140Q_Tr2C, [U-99% 13C; U-99% 15N], 0.7 mM; H2O 90%; D2O 10%; CaCl2 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.0; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D (H)C(CO)NHsample_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

Software:

COMPASS, Niklasson, Ahlner, Andresen, Marsh, Lundstrom - chemical shift assignment

SPARKY, Goddard, T.D. and Kneller G.D. - peak picking, visulaization

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 11440 16994 17881 17981 17982 17983 18084 18323 19376
PDB
DBJ BAC39089 BAF45809 BAI66109 BAI66110 BAI66111
EMBL CAB51566
GB AAH10730 AAO17827 AAQ14324 AAX61134 AAY87961
REF XP_001687795 XP_001869425 XP_007442524 XP_010190430 XP_011906627