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 19293

Title: Solution structure of calcium-bound human S100A12   PubMed: 24057444

Deposition date: 2013-06-07 Original release date: 2014-02-13

Authors: Hung, Kuo-Wei; Hsu, Chan-Chia; Yu, Chin

Citation: Hung, Kuo-Wei; Hsu, Chan-Chia; Yu, Chin. "Solution structure of human Ca(2+)-bound S100A12."  J. Biomol. NMR 57, 313-318 (2013).

Assembly members:
S100A12, polymer, 92 residues, 10592.145 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):
S100A12: MTKLEEHLEGIVNIFHQYSV RKGHFDTLSKGELKQLLTKE LANTIKNIKDKAVIDEIFQG LDANQDEQVDFQEFISLVAI ALKAAHYHTHKE

Data sets:
Data typeCount
13C chemical shifts296
15N chemical shifts75
1H chemical shifts453

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1calcium-bound human S100A12, 11
2calcium-bound human S100A12, 21

Entities:

Entity 1, calcium-bound human S100A12, 1 92 residues - 10592.145 Da.

1   METTHRLYSLEUGLUGLUHISLEUGLUGLY
2   ILEVALASNILEPHEHISGLNTYRSERVAL
3   ARGLYSGLYHISPHEASPTHRLEUSERLYS
4   GLYGLULEULYSGLNLEULEUTHRLYSGLU
5   LEUALAASNTHRILELYSASNILELYSASP
6   LYSALAVALILEASPGLUILEPHEGLNGLY
7   LEUASPALAASNGLNASPGLUGLNVALASP
8   PHEGLNGLUPHEILESERLEUVALALAILE
9   ALALEULYSALAALAHISTYRHISTHRHIS
10   LYSGLU

Samples:

sample_1: S100A12, [U-13C; U-15N], 1 mM; HEPES 10 mM; sodium chloride 100 mM; calcium chloride 5 mM; sodium azide 0.02% w/v; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.065 M; pH: 6.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 13C F1-filtered, F3-edited NOESY-HSQCsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis

ARIA, Linge, O, . - refinement, structure solution

NMR spectrometers:

  • Varian VNMRS 700 MHz

Related Database Links:

PDB
DBJ BAA08497 BAA12030 BAA12036 BAG74208
EMBL CAA66453 CAB94792
GB AAH70294 ADR82637 AIC49671 EAW53332
REF NP_005612 XP_003817231 XP_004026774 XP_525220
SP P80511

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts