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 25527

Title: Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5   PubMed: 25962097

Authors: Rajagopal, Ponni; Klevit, Rachel; Shi, Lei; Baker, David

Citation: Rajagopal, Ponni; Tse, Eric; Borst, Andrew; Delbecq, Scott; Shi, Lei; Dove, Katja; Baker, David; Southworth, Daniel; Klevit, Rachel. "A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis"  eLife ., .-. (2015).

Assembly members:
HSPB5-ACD, polymer, 89 residues, 10200.596 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):
HSPB5-ACD: GLSEMRLEKDRFSVNLDVKH FSPEELKVKVLGDVIEVHGK HEERQDEHGFISREFHRKYR IPADVDPLTITSSLSSDGVL TVDGPRKQV

Data sets:
Data typeCount
13C chemical shifts359
15N chemical shifts95
1H chemical shifts622

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1HSPB5-ACD_11
2HSPB5-ACD_21

Entities:

Entity 1, HSPB5-ACD_1 89 residues - 10200.596 Da.

This is the alpha-crystallin domain from human HSPB5.

1   GLYLEUSERGLUMETARGLEUGLULYSASP
2   ARGPHESERVALASNLEUASPVALLYSHIS
3   PHESERPROGLUGLULEULYSVALLYSVAL
4   LEUGLYASPVALILEGLUVALHISGLYLYS
5   HISGLUGLUARGGLNASPGLUHISGLYPHE
6   ILESERARGGLUPHEHISARGLYSTYRARG
7   ILEPROALAASPVALASPPROLEUTHRILE
8   THRSERSERLEUSERSERASPGLYVALLEU
9   THRVALASPGLYPROARGLYSGLNVAL

Samples:

HSPB5-ACD_1: HSPB5-ACD, [U-100% 13C; U-100% 15N], 0.6 mM; sodium phosphate 50 mM; sodium chloride 100 mM; EDTA .1 mM; PMSF 1 mM

HSPB5-ACD_2: HSPB5-ACD, [U-100% 13C; U-100% 15N; U-80% 2H], 0.6 mM; sodium phosphate 50 mM; sodium chloride 100 mM; EDTA .1 mM; PMSF 1 mM

HSPB5-ACD_3: HSPB5-ACD, [U-100% 13C; U-100% 15N; U-80% 2H], 0.6 mM; sodium phosphate 50 mM; sodium chloride 100 mM; EDTA .1 mM; PMSF 1 mM; Pf1 phage 14 mg/mL

HSPB5-ACD_4: HSPB5-ACD, [U-100% 13C; U-100% 15N], 1.0 mM; sodium phosphate 50 mM; sodium chloride 100 mM; EDTA .1 mM; PMSF 1 mM

HSPB5-ACD_5: HSPB5-ACD, [U-100% 13C; U-100% 15N; 50% 2H], 1.0 mM; sodium phosphate 50 mM; sodium chloride 100 mM; EDTA .1 mM; PMSF 1 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.5; pressure: 1 atm; temperature: 295 K

sample_conditions_2: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCHSPB5-ACD_1isotropicsample_conditions_1
2D 1H-15N HSQCHSPB5-ACD_2isotropicsample_conditions_2
2D 1H-15N HSQCHSPB5-ACD_2isotropicsample_conditions_1
3D 1H-15N NOESYHSPB5-ACD_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticHSPB5-ACD_4isotropicsample_conditions_1
2D 1H-13C HSQC aromaticHSPB5-ACD_4isotropicsample_conditions_1
3D HNCACBHSPB5-ACD_2isotropicsample_conditions_1
3D HBHA(CO)NHHSPB5-ACD_2isotropicsample_conditions_1
3D HNCOHSPB5-ACD_2isotropicsample_conditions_1
3D HNCAHSPB5-ACD_2isotropicsample_conditions_1
3D HN(CO)CAHSPB5-ACD_2isotropicsample_conditions_1
3D HN(COCA)CBHSPB5-ACD_2isotropicsample_conditions_1
3D HCCH-TOCSYHSPB5-ACD_4isotropicsample_conditions_1
3D H(CCO)NHHSPB5-ACD_5isotropicsample_conditions_1
3D C(CO)NHHSPB5-ACD_5isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, peak picking, processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, peak picking

CS-Rosetta, Shen, Vernon, Baker and Bax - chemical shift assignment, peak picking, structure solution

RosettaOligomer, (RosettaOligomer)-Sgourakis, Lange, DiMaio, Andre, Fitzkee, Rossi, Montelione, Bax, Baker - chemical shift assignment, peak picking, structure solution

TALOS, Cornilescu, Delaglio and Bax - chemical shift assignment, peak picking, refinement

GUARDD, (GUARDD)-Kleckner, Foster - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 500 MHz
  • Bruker Avance 900 MHz

Related Database Links:

BMRB 16391 26640
PDB
DBJ BAD51947 BAE27257 BAE40798 BAE87237 BAG36739
EMBL CAA64669 CAH91560 CAJ18549 CAL37427 CAL37905
GB AAA37472 AAA52104 AAA60267 AAA67045 AAB23453
REF NP_001075876 NP_001125917 NP_001166547 NP_001247830 NP_001271991
SP P02511 P23927 P41316 Q5R9K0 Q60HG8