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 26670

Title: order parameters for the CaM(E84K):nNOS(p) complex   PubMed: 28584100

Deposition date: 2015-09-21 Original release date: 2017-06-27

Authors: Harpole, Kyle; Kasinath, Vignesh; Lim, Jackwee; Valentine, Kathleen; Sharp, Kim; Wand, Joshua

Citation: Caro, Jose; Harpole, Kyle; Kasinath, Vignesh; Lim, Jackwee; Granja, Jeffrey; Valentine, Kathleen; Sharp, Kim; Wand, A Joshua. "Entropy in molecular recognition by proteins"  Proc. Natl. Acad. Sci. U.S.A. 114, 6563-6568 (2017).

Assembly members:
Calmodulin(E84K), polymer, 148 residues, Formula weight is not available
nNOS(p), polymer, 25 residues, Formula weight is not available

Natural source:   Common Name: chicken   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

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

Entity Sequences (FASTA):
Calmodulin(E84K): ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEkIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK
nNOS(p): GSKRRAIGFKKLAEAVKFSA KLMGQ

Data typeCount
order parameters164

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Calmodulin (E84K)1
2nNOS(p)2

Entities:

Entity 1, Calmodulin (E84K) 148 residues - Formula weight is not available

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

Entity 2, nNOS(p) 25 residues - Formula weight is not available

1   GLYSERLYSARGARGALAILEGLYPHELYS
2   LYSLEUALAGLUALAVALLYSPHESERALA
3   LYSLEUMETGLYGLN

Samples:

CaM_rlx_sample: Calmodulin(E84K), [U-99% 15N], 0.4 mM; Calmodulin(E84K), [U-13C; U-2H], 1 mM; nNOS(p) 1.55 mM

nNOS_rlx_sample: Calmodulin(E84K), [U-99% 15N], 1.4 mM; nNOS(p), [U-13C; U-15N; U-2H], 1.15 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
15N T1,T2,NOECaM_rlx_sampleisotropicsample_conditions_1
2H IzCz-compensated Dz and DyCaM_rlx_sampleisotropicsample_conditions_1
2H IzCz-compensated Dz and DynNOS_rlx_sampleisotropicsample_conditions_1

Software:

Felix, Accelrys Software Inc. - data analysis

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 750 MHz