BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 4365

Title: Dynamics of Stromelysin/Inhibitor Interactions Studied by 15N NMR Relaxation Measurements: Comparison of Ligand Binding to the S1-S3 and S1-S3 Subsites

Authors: Yuan, Peng; Marshall, Vincent; Petzold, Gary; Poorman, Roger; Stockman, Brian

Citation: Yuan, Peng; Marshall, Vincent; Petzold, Gary; Poorman, Roger; Stockman, Brian. "Dynamics of Stromelysin/Inhibitor Interactions Studied by 15N NMR Relaxation Measurements: Comparison of Ligand Binding to the S1-S3 and S1-S3 Subsites"  J. Biomol. NMR 15, 55-64 (1999).

Assembly members:
stromelysin, polymer, 166 residues, Formula weight is not available
6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE, non-polymer, 306.771 Da.

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

Experimental source:   Production method: recombinat technology

Entity Sequences (FASTA):
stromelysin: PKWRKTHLTYRIVNYPPDLP KDAVDSAVEKALKVWEEVTP LTFSRLYEGEADIMISFAVR EHGDFYPFDGPGNVLAHAYA PGPGINGDAHFDDDEQWTKD TTGTNLFLVAAHEIGHSLGL FHSANTEALMYPLYHSLTDL TRFRLSQDDINGIQSLYGPP PDSPET

Data sets:
Data typeCount
order parameters141
T1 relaxation values141
T2 relaxation values141

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1stromelysin1
2PNU-1078592

Entities:

Entity 1, stromelysin 166 residues - Formula weight is not available

1   PROLYSTRPARGLYSTHRHISLEUTHRTYR
2   ARGILEVALASNTYRPROPROASPLEUPRO
3   LYSASPALAVALASPSERALAVALGLULYS
4   ALALEULYSVALTRPGLUGLUVALTHRPRO
5   LEUTHRPHESERARGLEUTYRGLUGLYGLU
6   ALAASPILEMETILESERPHEALAVALARG
7   GLUHISGLYASPPHETYRPROPHEASPGLY
8   PROGLYASNVALLEUALAHISALATYRALA
9   PROGLYPROGLYILEASNGLYASPALAHIS
10   PHEASPASPASPGLUGLNTRPTHRLYSASP
11   THRTHRGLYTHRASNLEUPHELEUVALALA
12   ALAHISGLUILEGLYHISSERLEUGLYLEU
13   PHEHISSERALAASNTHRGLUALALEUMET
14   TYRPROLEUTYRHISSERLEUTHRASPLEU
15   THRARGPHEARGLEUSERGLNASPASPILE
16   ASNGLYILEGLNSERLEUTYRGLYPROPRO
17   PROASPSERPROGLUTHR

Entity 2, PNU-107859 - C13 H11 Cl N4 O S - 306.771 Da.

1   PNU

Samples:

sample: stromelysin, [U-15N], 0.9 mM; PNU-107859 0.9 mM; imidazole, [U-2H], 10 mM; CaCl2 2.5 mM; ZnCl2 5 uM

conditions: pH: 6.5; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsamplenot availableconditions
15N R1samplenot availableconditions
15N R2samplenot availableconditions
15N-1H NOEsamplenot availableconditions

Software:

No software information available

NMR spectrometers:

  • Bruker AMX 600 MHz

Related Database Links:

BMRB 15120 15395 15396 4173 4364 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