BMRB Entry 16994

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16994
MolProbity Validation Chart

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Title:
Calmodulin, C-terminal domain, F92E mutant
Deposition date:
2010-06-10
Original release date:
2011-06-01
Authors:
Korendovych, Ivan; Kulp, Daniel; Wu, Yibing; Cheng, Hong; Roder, Heinrich; DeGrado, William
Citation:

Citation: Korendovych, Ivan; Kulp, Daniel; Wu, Yibing; Cheng, Hong; Roder, Heinrich; Degrado, William. "Design of a switchable eliminase."  Proc. Natl. Acad. Sci. U.S.A. 108, 6823-6827 (2011).
PubMed: 21482808

Assembly members:

Assembly members:
cCaMF92E, polymer, 94 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pEXP5-NT/TOPO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cCaMF92E: SGSHHHHHHGSSGENLYFQS LMKDTDSEEEIREAFRVEDK DGNGYISAAELRHVMTNLGE KLTDEEVDEMIREADIDGDG QVNYEEFVQMMTAK

Data sets:
Data typeCount
13C chemical shifts268
15N chemical shifts92
1H chemical shifts576

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1cCaMF92E1
2Calcium, 12
3Calcium, 22

Entities:

Entity 1, cCaMF92E 94 residues - Formula weight is not available

1   SERGLYSERHISHISHISHISHISHISGLY
2   SERSERGLYGLUASNLEUTYRPHEGLNSER
3   LEUMETLYSASPTHRASPSERGLUGLUGLU
4   ILEARGGLUALAPHEARGVALGLUASPLYS
5   ASPGLYASNGLYTYRILESERALAALAGLU
6   LEUARGHISVALMETTHRASNLEUGLYGLU
7   LYSLEUTHRASPGLUGLUVALASPGLUMET
8   ILEARGGLUALAASPILEASPGLYASPGLY
9   GLNVALASNTYRGLUGLUPHEVALGLNMET
10   METTHRALALYS

Entity 2, Calcium, 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_2: cCaMF92E, [U-100% 13C; U-100% 15N], 0.4 mM; CaCl2 20 mM; NaCl 100 mM; HEPES 20 mM; H2O 90%; D2O 10%

sample_1: cCaMF92E, [U-100% 13C; U-100% 15N], 0.8 mM; CaCl2 20 mM; NaCl 100 mM; HEPES 20 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.9; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D N15-NOESYsample_1isotropicsample_conditions_1
3D C13-NOESYsample_1isotropicsample_conditions_1
3D N15/C13-NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQC IPAPsample_2anisotropicsample_conditions_1

Software:

AutoStruct, Huang, Tejero, Powers and Montelione - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

SPARKY, Goddard - data analysis

TALOS, Cornilescu, Delaglio and Bax - structure solution

XEASY, Bartels et al. - data analysis

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 17881 17981 17982 17983 18084 18323 19376 25344
PDB
DBJ BAC39089 BAF45809
GB AAH10730 AAO17827 AAQ14324 AGO58852 EGW04881
REF XP_007442524 XP_009577260 XP_010190430 XP_011906627 XP_014456117

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks