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Biological Magnetic Resonance Data Bank


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BMRB Entry 18425

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18425
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Title: Resonance Assignments of Ca2+-bound human S100A11   PubMed: 22825890

Deposition date: 2012-04-25 Original release date: 2012-09-14

Authors: Hung, Kuo-Wei; Chang, Yuan-Ming; Yu, Chin

Citation: Hung, Kuo-Wei; Chang, Yuan-Ming; Yu, Chin. "Resonance assignments of Ca2+-bound human S100A11."  Biomol. NMR Assignments 7, 211-214 (2013).

Assembly members:
S100A11, polymer, 105 residues, Formula weight is not available
CALCIUM ION, 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):
S100A11: MAKISSPTETERCIESLIAV FQKYAGKDGYNYTLSKTEFL SFMNTELAAFTKNQKDPGVL DRMMKKLDTNSDGQLDFSEF LNLIGGLAMACHDSFLKAVP SQKRT

Data sets:
Data typeCount
13C chemical shifts354
15N chemical shifts87
1H chemical shifts498

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1S100A11, chain 11
2S100A11, chain 21
3Ca2+, 12
4Ca2+, 22

Entities:

Entity 1, S100A11, chain 1 105 residues - Formula weight is not available

1   METALALYSILESERSERPROTHRGLUTHR
2   GLUARGCYSILEGLUSERLEUILEALAVAL
3   PHEGLNLYSTYRALAGLYLYSASPGLYTYR
4   ASNTYRTHRLEUSERLYSTHRGLUPHELEU
5   SERPHEMETASNTHRGLULEUALAALAPHE
6   THRLYSASNGLNLYSASPPROGLYVALLEU
7   ASPARGMETMETLYSLYSLEUASPTHRASN
8   SERASPGLYGLNLEUASPPHESERGLUPHE
9   LEUASNLEUILEGLYGLYLEUALAMETALA
10   CYSHISASPSERPHELEULYSALAVALPRO
11   SERGLNLYSARGTHR

Entity 2, Ca2+, 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: S100A11, [U-100% 13C; U-100% 15N], 1 mM; TRIS 25 mM; sodium chloride 100 mM; calcium chloride 5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.0725 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis

NMR spectrometers:

  • Varian VNMRS 700 MHz

Related Database Links:

PDB
DBJ BAA07597 BAA08354 BAA23325 BAG35117 BAG73698
EMBL CAA56492
GB AAH01410 AAH14354 AAP36737 AAP88914 AAX32121
REF NP_001244459 NP_005611 XP_002810252 XP_003259306 XP_003339045
SP P31949

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