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 15186

Title: backbone and side chain methly order parameters and correlation times for calmodulin in complex with the smMLCK peptide   PubMed: 17637663

Authors: Frederick, Kendra; Kranz, James; Wand, Joshua

Citation: Frederick, Kendra; Marlow, Michael; Valentine, Kathleen; Wand, Joshua. "Conformational entropy in molecular recognition by proteins"  Nature 448, 325-329 (2007).

Assembly members:
calmodulin, polymer, 148 residues, Formula weight is not available
smMLCKp, polymer, 21 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: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK
smMLCKp: GSARRKWQKTGHAVRAIGRL S

Data sets:
Data typeCount
order parameters175

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1calmodulin1
2smMLCKp2

Entities:

Entity 1, calmodulin 148 residues - Formula weight is not available

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

Entity 2, smMLCKp 21 residues - Formula weight is not available

peptide corresponding to the smooth muscle myosin light chain kinase calmodulin-binding domain

1   GLYSERALAARGARGLYSTRPGLNLYSTHR
2   GLYHISALAVALARGALAILEGLYARGLEU
3   SER

Samples:

sample_1: calmodulin, [U-100% 15N], 1 mM; smMLCKp 1.1 ± .1 mM; potassium chloride 100 mM; imidazole 20 mM; CaCl2 6 mM; sodium azide 3 mM; H2O 95%; D2O 5%

sample_2: calmodulin, [U-100% 13C; U-100% 15N; 55% 2H], 1 mM; smMLCKp 1.1 ± .1 mM; potassium chloride 100 mM; imidazole 20 mM; CaCl2 6 mM; sodium azide 3 mM; H2O 95%; D2O 5%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

FELIX, Accelrys Software Inc. - processing

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15184 15185 15187 15188 15191 15470 15624 15650 15852 1634 16418 16465 1648 16764 17264 17360 17771 17807 18027 18028 18556 19036 19238 19586 19604 25253 25257 26503 26626 26627 4056 4270 4284 4310 15184 4970
PDB
DBJ BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 BAF80632
EMBL CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 CAA37056 CAA37057 CAA37059 CAF90187 CDQ57333
GB AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 AAA49069 AAA69964 AAB41402 AAB53767 AAC29031
PIR JC1305 MCON
PRF 0409298A 0608335A
REF NP_001008160 NP_001009759 NP_001027633 NP_001039714 NP_001040234 NP_001230761 NP_990790 XP_002190380 XP_003207733 XP_004086943
SP O02367 O16305 O96081 P02594 P05932 P11799
TPG DAA13808 DAA18029 DAA19590 DAA24777 DAA24988