BMRB Entry 36002

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36002
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
NMR Solution structure of an EF-hand Calcium binding protein (EhCaBP6) from Entamoeba Histolytica
Deposition date:
2016-07-05
Original release date:
2025-10-10
Authors:
Verma, D.; Chary, K.
Citation:

Citation: Verma, D.; Murmu, A.; Bhattacharya, A.; Chary, K.. "An Unusual Nuclear Localized Ca2+-Binding Protein from Entamoeba histolytica that Exhibits GTPase Activity"  .

Assembly members:

Assembly members:
Calmodulin, putative, polymer, 156 residues, 18032.385 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 885315   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Entamoeba histolytica

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calmodulin, putative: MSMEIEAPNANTQKIRDCFN FYDRDYDGKIDVKQLGTLIR SLGCAPTEDEVNSYIKEFAI EGETFQIEQFELIMEREQSK PDTREIKLRKAFEVFDQDKD GKIKASDLAHNLTTVGDKMT KEEVEKVFSILGITMESDID LATFLKLVALHHHHHH

Data sets:
Data typeCount
13C chemical shifts306
15N chemical shifts144
1H chemical shifts613

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_CA2

Entities:

Entity 1, entity_1 156 residues - 18032.385 Da.

1   METSERMETGLUILEGLUALAPROASNALA
2   ASNTHRGLNLYSILEARGASPCYSPHEASN
3   PHETYRASPARGASPTYRASPGLYLYSILE
4   ASPVALLYSGLNLEUGLYTHRLEUILEARG
5   SERLEUGLYCYSALAPROTHRGLUASPGLU
6   VALASNSERTYRILELYSGLUPHEALAILE
7   GLUGLYGLUTHRPHEGLNILEGLUGLNPHE
8   GLULEUILEMETGLUARGGLUGLNSERLYS
9   PROASPTHRARGGLUILELYSLEUARGLYS
10   ALAPHEGLUVALPHEASPGLNASPLYSASP
11   GLYLYSILELYSALASERASPLEUALAHIS
12   ASNLEUTHRTHRVALGLYASPLYSMETTHR
13   LYSGLUGLUVALGLULYSVALPHESERILE
14   LEUGLYILETHRMETGLUSERASPILEASP
15   LEUALATHRPHELEULYSLEUVALALALEU
16   HISHISHISHISHISHIS

Entity 2, entity_CA - Ca - 40.078 Da.

1   CACA

Samples:

sample_1: EhCaBP6, [U-15N], 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: EhCaBP6, [U-13C; U-15N], 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_3: EhCaBP6, [U-13C], 1 mM; D2O, [U-2H], 100%

sample_4: EhCaBP6, [U-10% 13C], 1 mM; D2O, [U-2H], 100%

sample_5: EhCaBP6 1 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment

TOPSPIN, Bruker Biospin - processing

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA, Keller and Wuthrich - peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

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