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 18556

Title: The complex between Ca-Calmodulin and skeletal muscle myosin light chain kinase from combination of NMR and aqueous and contrast-matched SAXS data   PubMed: 22908850

Authors: Grishaev, Alexander; Anthis, Nicholas; Clore, G. Marius

Citation: Grishaev, Alexander; Anthis, Nicholas; Clore, G. Marius. "Contrast-matched small-angle X-ray scattering from a heavy-atom-labeled protein in structure determination: application to a lead-substituted calmodulin-peptide complex."  J. Am. Chem. Soc. 134, 14686-14689 (2012).

Assembly members:
Calmodulin, polymer, 148 residues, 16678.439 Da.
ssMLCK, polymer, 26 residues, 2972.567 Da.
entity_CA, 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):
Calmodulin: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGFI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVTMMTAK
ssMLCK: KRRWKKNFIAVSAANRFKKI SSSGAL

Data sets:
Data typeCount
15N chemical shifts144
1H chemical shifts144

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Calmodulin1
2ssMLCK2
3CALCIUM ION_13
4CALCIUM ION_23
5CALCIUM ION_33
6CALCIUM ION_43

Entities:

Entity 1, Calmodulin 148 residues - 16678.439 Da.

1   ALAASPGLNLEUTHRGLUGLUGLNILEALA
2   GLUPHELYSGLUALAPHESERLEUPHEASP
3   LYSASPGLYASPGLYTHRILETHRTHRLYS
4   GLULEUGLYTHRVALMETARGSERLEUGLY
5   GLNASNPROTHRGLUALAGLULEUGLNASP
6   METILEASNGLUVALASPALAASPGLYASN
7   GLYTHRILEASPPHEPROGLUPHELEUTHR
8   METMETALAARGLYSMETLYSASPTHRASP
9   SERGLUGLUGLUILEARGGLUALAPHEARG
10   VALPHEASPLYSASPGLYASNGLYPHEILE
11   SERALAALAGLULEUARGHISVALMETTHR
12   ASNLEUGLYGLULYSLEUTHRASPGLUGLU
13   VALASPGLUMETILEARGGLUALAASPILE
14   ASPGLYASPGLYGLNVALASNTYRGLUGLU
15   PHEVALTHRMETMETTHRALALYS

Entity 2, ssMLCK 26 residues - 2972.567 Da.

1   LYSARGARGTRPLYSLYSASNPHEILEALA
2   VALSERALAALAASNARGPHELYSLYSILE
3   SERSERSERGLYALALEU

Entity 3, CALCIUM ION_1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: Calmodulin, [U-13C; U-15N; U-2H], 0.3 mM; ssMLCK 0.3 mM; CaCl2 3 mM

sample_2: Calmodulin, [U-13C; U-15N; U-2H], 0.06 – 0.25 mM; ssMLCK0.06 – 0.25 mM; CaCl2 3 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 273 K

sample_conditions_2: ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1

Software:

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

SPARKY, Goddard - data analysis

Custom, Grishaev - structure solution

CNS v1.0, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

BMRB 15184 15185 15186 15187 15188 15191 15470 15624 15650 15852 1634 16418 16465 1648 16764 17264 17360 17771 17807 18027 18028 19036 19238 19586 19604 25253 25257 26503 26626 26627 4056 4270 4284 4310 7028
PDB
DBJ BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 BAD30083 BAD30084 BAD30085 BAD30086 BAI47180
EMBL CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 CAA46981 CAC81354
GB AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 AAA31400 AAC71016 AAH07753 AAH19408 AAH69627
PIR JC1305 MCON
PRF 0711223A 1507147A
REF NP_001008160 NP_001009759 NP_001027633 NP_001039714 NP_001040234 NP_001074513 NP_001075705 NP_001077188 NP_149109 XP_001499833
SP O02367 O16305 O96081 P02594 P02595 A4IFM7 P07313 P20689 Q8VCR8 Q9H1R3
TPG DAA13808 DAA18029 DAA19590 DAA24777 DAA24988 DAA23271