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 18101

Title: 1H,15N and 13C backbone and side chain chemical shifts of Human Halo S100A1   PubMed: 22311340

Authors: Gupta, Arun; Yu, Chin

Citation: Gupta, Arun; Mohan, Sepuru; Chin, Yu. "1H, 13C and 15N backbone and side chain resonance assignments of human halo S100A1."  Biomol. NMR Assignments 6, 213-215 (2012).

Assembly members:
S100A1, polymer, 94 residues, 10545.8 Da.
CA, non-polymer, 40.078 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):
S100A1: MGSELETAMETLINVFHAHS GKEGDKYKLSKKELKELLQT ELSGFLDAQKDVDAVDKVMK ELDENGDGEVDFQEYVVLVA ALTVACNNFFWENS

Data sets:
Data typeCount
13C chemical shifts371
15N chemical shifts90
1H chemical shifts575

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100A11
2Calcium ion2

Entities:

Entity 1, S100A1 94 residues - 10545.8 Da.

1   METGLYSERGLULEUGLUTHRALAMETGLU
2   THRLEUILEASNVALPHEHISALAHISSER
3   GLYLYSGLUGLYASPLYSTYRLYSLEUSER
4   LYSLYSGLULEULYSGLULEULEUGLNTHR
5   GLULEUSERGLYPHELEUASPALAGLNLYS
6   ASPVALASPALAVALASPLYSVALMETLYS
7   GLULEUASPGLUASNGLYASPGLYGLUVAL
8   ASPPHEGLNGLUTYRVALVALLEUVALALA
9   ALALEUTHRVALALACYSASNASNPHEPHE
10   TRPGLUASNSER

Entity 2, Calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: S100A1, [U-100% 13C; U-100% 15N], 1.5 mM; TRIS 20 mM; sodium chloride 15 mM; Calcium chloride 20 mM; DTT 20 mM; sodium azide 0.01%

sample_conditions_1: ionic strength: 0.015 M; pH: 7.2; pressure: 1 atm; temperature: 298 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 HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1

Software:

VNMR, Varian - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 700 MHz

Related Database Links:

BMRB 16360 17857 18087 18088 18089 18230 18231 18545
PDB
DBJ BAE90380 BAG35086 BAG70130 BAG70260
EMBL CAA41107 CAH90674
GB AAH14392 AAI41992 AAI48020 AAP35584 AAP36328
PRF 2003367A
REF NP_001092512 NP_001127319 NP_001270255 NP_006262 XP_001111015
SP P02639 P23297 Q5RC36
TPG DAA31796