BMRB Entry 4173

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4173
MolProbity Validation Chart

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Title:
Solution Structure of the Catalytic Domain of Human Stromelysin-1 Complexed to a Potent, Non-peptidic Inhibitor
Deposition date:
1998-08-03
Original release date:
2000-04-03
Authors:
Li, Y.; Zhang, X.; Melton, R.; Ganu, V.; Gonnella, N.
Citation:

Citation: Li, Y.; Zhang, X.; Melton, R.; Ganu, V.; Gonnella, N.. "Solution Structure of the Catalytic Domain of Human Stromelysin-1 Complexed to a Potent, Non-peptidic Inhibitor"  Biochemistry 37, 14048-14056 (1998).
PubMed: 9760240

Assembly members:

Assembly members:
STROMELYSIN-1, polymer, 173 residues, Formula weight is not available
CYCLOHEXYLAMMONIUM ION, non-polymer, 100.182 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
STROMELYSIN-1: FRTFPGIPKWRKTHLTYRIV NYTPDLPKDAVDSAVEKALK VWEEVTPLTFSRLYEGEADI MISFAVREHGDFYPFDGPGN VLAHAYAPGPGINGDAHFDD DEQWTKDTTGTNLFLVAAHE IGHSLGLFHSANTEALMYPL YHSLTDLTRFRLSQDDINGI QSLYGPPPDSPET

Data sets:
Data typeCount
15N chemical shifts151
1H chemical shifts926

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1STROMELYSIN-11
2entity_ZN3
3entity_HAI2

Entities:

Entity 1, STROMELYSIN-1 173 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 3, entity_ZN - Zn - 65.409 Da.

1   ZN

Entity 2, entity_HAI - C6 H14 N - 100.182 Da.

1   HAI

Samples:

sample_one: STROMELYSIN-1 mM

sample_conditions_one: pH: 6.8; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
1H,15N HSQCsample_onenot availablesample_conditions_one
1H,13C,HMQCsample_onenot availablesample_conditions_one
3D CBCA(CO)NHsample_onenot availablesample_conditions_one
3D HNCAsample_onenot availablesample_conditions_one
3D HNHAsample_onenot availablesample_conditions_one
3D HCCH-TOCSYsample_onenot availablesample_conditions_one
13C-FILTERED COSYsample_onenot availablesample_conditions_one
13C,15N FILTERED NOESYsample_onenot availablesample_conditions_one
3D 15N EDITED NOESYsample_onenot availablesample_conditions_one
3D 13C EDITED NOESYsample_onenot availablesample_conditions_one

Software:

No software information available

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

BMRB 15120 15395 15396 4364 4365 4366
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

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