BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 6014

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6014
MolProbity Validation Chart

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Title: 1H, 13C and 15N backbone resonance assignments of matrilysin (mmp7) complexed with a hydroxamic acid inhibitor   PubMed: 15243187

Deposition date: 2003-11-20 Original release date: 2005-11-21

Authors: Ou, Li; Zhang, Qi; Ma, Jingbiao; Wang, Zhonghua; Zhang, Fang; Wu, Houming

Citation: Ou, Li; Zhang, Qi; Ma, Jingbiao; Wu, Wengen; Wang, Zhonghua; Zhang, Fang; Ma, Dawei; Wu, Houming. "Letter to the Editor: 1H, 13C and 15N backbone resonance assignments of matrilysin (MMP7) complexed with a sulfonamide hydroxamate-type inhibitor"  J. Biomol. NMR 29, 537-538 (2004).

Assembly members:
matrilysin, polymer, 173 residues, 19128 Da.
MDW, non-polymer, 408.426 Da.
ZN, non-polymer, 65.409 Da.

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

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

Entity Sequences (FASTA):
matrilysin: YSLFPNSPKWTSKVVTYRIV SYTRDLPHITVDRLVSKALN MWGKEIPLHFRKVVWGTADI MIGFARGAHGDSYPFDGPGN TLAHAFAPGTGLGGDAHFDE DERWTDGSSLGINFLYAATH ELGHSLGMGHSSDPNAVMYP TYGNGDPQNFKLSQDDIKGI QKLYGKRSNSRKK

Data sets:
Data typeCount
1H chemical shifts308
13C chemical shifts464
15N chemical shifts147

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1matrilysin madw010531
2ZINC (II) ION3
3Hydroxamic acid inhibitor2

Entities:

Entity 1, matrilysin madw01053 173 residues - 19128 Da.

1   TYRSERLEUPHEPROASNSERPROLYSTRP
2   THRSERLYSVALVALTHRTYRARGILEVAL
3   SERTYRTHRARGASPLEUPROHISILETHR
4   VALASPARGLEUVALSERLYSALALEUASN
5   METTRPGLYLYSGLUILEPROLEUHISPHE
6   ARGLYSVALVALTRPGLYTHRALAASPILE
7   METILEGLYPHEALAARGGLYALAHISGLY
8   ASPSERTYRPROPHEASPGLYPROGLYASN
9   THRLEUALAHISALAPHEALAPROGLYTHR
10   GLYLEUGLYGLYASPALAHISPHEASPGLU
11   ASPGLUARGTRPTHRASPGLYSERSERLEU
12   GLYILEASNPHELEUTYRALAALATHRHIS
13   GLULEUGLYHISSERLEUGLYMETGLYHIS
14   SERSERASPPROASNALAVALMETTYRPRO
15   THRTYRGLYASNGLYASPPROGLNASNPHE
16   LYSLEUSERGLNASPASPILELYSGLYILE
17   GLNLYSLEUTYRGLYLYSARGSERASNSER
18   ARGLYSLYS

Entity 3, ZINC (II) ION - Zn - 65.409 Da.

1   ZN

Entity 2, Hydroxamic acid inhibitor - C18 H20 N2 O7 S - 408.426 Da.

1   MDW

Samples:

sample_1: matrilysin0.6 – 0.7 mM; NaCl 100 mM; Tris-HCl 10 mM; CaCl2 10 mM; ZnCl2 0.1 mM; NaN3 2 mM

cond._set_1: pH: 6.9; temperature: 298 K; ionic strength: 0.10 M

Experiments:

NameSampleSample stateSample conditions
CBCA(CO)NHsample_1not availablecond._set_1
CBCANHsample_1not availablecond._set_1
C(CO)NHsample_1not availablecond._set_1
HC(CO)NHsample_1not availablecond._set_1
HNCOsample_1not availablecond._set_1
HCACOsample_1not availablecond._set_1
HNCAsample_1not availablecond._set_1
HCCH-COSY and HCCH-TOCSYsample_1not availablecond._set_1

Software:

NMRView v5.0.4 - assignments

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAD96700 BAI46673
EMBL CAA30678 CAA77942
GB AAC37543 AAH03635 AAV40839 AAX36381 AAX36443
REF NP_002414 XP_001097508 XP_002822443 XP_003828431 XP_003910646
SP P09237

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