BMRB Entry 5231

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5231

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Title:
Resonance assignments for stromelysin complexed with a beta-sulfonyl hydroxamate inhibitor
Deposition date:
2001-12-12
Original release date:
2003-06-09
Authors:
Sahasrabudhe, Parag; Stockman, Brian
Citation:

Citation: Sahasrabudhe, Parag; Stockman, Brian. "Resonance assignments for stromelysin complexed with a beta-sulfonyl hydroxamate inhibitor"  Biomol. NMR Assignments 3, 183-186 (2009).
PubMed: 19888686

Assembly members:

Assembly members:
stromelysin, polymer, 173 residues, Formula weight is not available
beta-hydroxamate inhibitor, non-polymer, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: Stromelysin was prepared by overexpression in E.coli strain BL21(DE3)(pLyseE) transformed with pstro255 expression vector.   Host organism: 2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
stromelysin: FRTFPGIPKWRKTHLTYRIV NYTPDLPKDAVDSAVEKALK VWEEVTPLTFSRLYEGEADI MISFAVREHGDFYPFDGPGN VLAHAYAPGPGINGDAHFDD DEQWTKDTTGTNLFLVAAHE IGHSLGLFHSANTEALMYPL YHSLTDLTRFRLSQDDINGI QSLYGPPPDSPET

Data sets:
Data typeCount
1H chemical shifts482
13C chemical shifts477
15N chemical shifts134

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1stromelysin1
2beta-hydroxamate inhibitor2

Entities:

Entity 1, stromelysin 173 residues - Formula weight is not available

1   PHEARGTHRPHEPROGLYILEPROLYSTRP
2   ARGLYSTHRHISLEUTHRTYRARGILEVAL
3   ASNTYRTHRPROASPLEUPROLYSASPALA
4   VALASPSERALAVALGLULYSALALEULYS
5   VALTRPGLUGLUVALTHRPROLEUTHRPHE
6   SERARGLEUTYRGLUGLYGLUALAASPILE
7   METILESERPHEALAVALARGGLUHISGLY
8   ASPPHETYRPROPHEASPGLYPROGLYASN
9   VALLEUALAHISALATYRALAPROGLYPRO
10   GLYILEASNGLYASPALAHISPHEASPASP
11   ASPGLUGLNTRPTHRLYSASPTHRTHRGLY
12   THRASNLEUPHELEUVALALAALAHISGLU
13   ILEGLYHISSERLEUGLYLEUPHEHISSER
14   ALAASNTHRGLUALALEUMETTYRPROLEU
15   TYRHISSERLEUTHRASPLEUTHRARGPHE
16   ARGLEUSERGLNASPASPILEASNGLYILE
17   GLNSERLEUTYRGLYPROPROPROASPSER
18   PROGLUTHR

Entity 2, beta-hydroxamate inhibitor 1 residues - C18H39O8N1S2 - Formula weight is not available

1   HYIN

Samples:

sample_1: stromelysin, [U-100% 13C; U-100% 15N], 0.9 mM; beta-hydroxamate inhibitor 1 mM; d-imidazole 10 mM; CaCl2 2.5 mM; ZnCl2 5 uM; NaN3 0.02%

stromelysin_condition_1: pH: 6.6; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCsample_1not availablestromelysin_condition_1
HNCOsample_1not availablestromelysin_condition_1
HNCAsample_1not availablestromelysin_condition_1
HN(CO)CAsample_1not availablestromelysin_condition_1
CBCA(CO)NHsample_1not availablestromelysin_condition_1
CBCANHsample_1not availablestromelysin_condition_1
HBHA(CO)NHsample_1not availablestromelysin_condition_1
(H)CC(CO)NH-TOCSYsample_1not availablestromelysin_condition_1
H(CC)(CO)NH-TOCSYsample_1not availablestromelysin_condition_1

Software:

XWINNMR v2.6 - data acquisition

NMRPIPE - data processing

SPARKY - peak picking, peak management

AUTOASSIGN - Automated resonance assignment

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

BMRB 15120 15395 15396 4173 4364 4365 4366 5099 5153
PDB
DBJ BAD97003 BAD97011 BAG36115
EMBL CAA28859
GB AAA00036 AAA36321 AAB36942 AAD45887 AAH69676
REF NP_002413 XP_002822450 XP_003253099 XP_003828425 XP_004052086
SP P08254
AlphaFold P08254

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks