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 5810

Title: 1H, 15N and 13C resonance assignment of staphostatin A, a specific Staphylococcus aureus cysteine proteinase inhibitor   PubMed: 14621990

Deposition date: 2003-05-24 Original release date: 2003-12-18

Authors: Dubin, Grzegorz; Popowicz, Grzegorz; Krajewski, Marcin; Potempa, Jan; Dubin, Adam; Holak, Tad

Citation: Dubin, Grzegorz; Krajewski, Marcin; Popowicz, Grzegorz; Stec-Niemczyk, J.; Bochtler, M.; Potempa, Jan; Dubin, Adam; Holak, Tad. "A Novel Class of Cysteine Protease Inhibitors: Solution Structure of Staphostatin A from Staphylococcus aureus "  Biochemistry 42, 13449-13456 (2003).

Assembly members:
Staphostatin A, polymer, 109 residues, Formula weight is not available

Natural source:   Common Name: S. aureus   Taxonomy ID: 1280   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Staphostatin A: GSMEQFELFSIDKFKCNSEA KYYLNIIEGEWHPQDLNDSP LKFILSTSDDSDYICKYINT EHKQLTLYNKNNSSIVIEIF IPNDNKILLTIMNTEALGTS PRMTFIKHK

Data sets:
Data typeCount
1H chemical shifts427
13C chemical shifts140
15N chemical shifts94
coupling constants93

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1staphostatin A1

Entities:

Entity 1, staphostatin A 109 residues - Formula weight is not available

1   GLYSERMETGLUGLNPHEGLULEUPHESER
2   ILEASPLYSPHELYSCYSASNSERGLUALA
3   LYSTYRTYRLEUASNILEILEGLUGLYGLU
4   TRPHISPROGLNASPLEUASNASPSERPRO
5   LEULYSPHEILELEUSERTHRSERASPASP
6   SERASPTYRILECYSLYSTYRILEASNTHR
7   GLUHISLYSGLNLEUTHRLEUTYRASNLYS
8   ASNASNSERSERILEVALILEGLUILEPHE
9   ILEPROASNASPASNLYSILELEULEUTHR
10   ILEMETASNTHRGLUALALEUGLYTHRSER
11   PROARGMETTHRPHEILELYSHISLYS

Samples:

sample1: Staphostatin A, [U-15N], 0.8 – 1.2 mM

sample2: Staphostatin A, [U-13C; U-15N], 0.7 mM

sample3: Staphostatin A0.8 – 1.3 mM

condition_1: pH: 7.4; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
not availablenot availablenot availablecondition_1

Software:

No software information available

NMR spectrometers:

  • Bruker AMX 500 MHz
  • Bruker DRX 600 MHz
  • Bruker DMX 750 MHz

Related Database Links:

PDB
DBJ BAB42996 BAB58072 BAB95716 BAF68120 BAF78778
EMBL CAG40987 CAG43638 CAI81535 CAQ50392 CCG16528
GB AAW36941 ABD31177 ABQ49750 ABR52833 ABX29913
REF NP_372434 NP_375017 NP_646668 WP_000434530 WP_000434531

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