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 25488

Title: NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) in Complex with Zwitterionic Membrane   PubMed: 26439767

Authors: Prior, Stephen; Steven, Van Doren

Citation: Prior, Stephen; Fulcher, Yan; Koppisetti, Rama; Jurkevich, A.; Van Doren, Steven. "Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors"  Structure 23, 2099-2110 (2015).

Assembly members:
proMMP-7(E195A), polymer, 248 residues, 27702.492 Da.
CALCIUM ION, non-polymer, 40.078 Da.
ZINC ION, non-polymer, 65.409 Da.
1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, non-polymer, 678.940 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):
proMMP-7(E195A): LPQEAGGMSELQWEQAQDYL KRFYLYDSETKNANSLEAKL KEMQKFFGLPITGMLNSRVI EIMQKPRCGVPDVAEYSLFP NSPKWTSKVVTYRIVSYTRD LPHITVDRLVSKALNMWGKE IPLHFRKVVWGTADIMIGFA RGAHGDSYPFDGPGNTLAHA FAPGTGLGGDAHFDEDERWT DGSSLGINFLYAATHALGHS LGMGHSSDPNAVMYPTYGNG DPQNFKLSQDDIKGIQKLYG KRSNSRKK

Data sets:
Data typeCount
13C chemical shifts62
15N chemical shifts223
1H chemical shifts1218

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2CALCIUM ION_12
3ZINC ION_13
41,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE_14

Entities:

Entity 1, entity_1 248 residues - 27702.492 Da.

1   LEUPROGLNGLUALAGLYGLYMETSERGLU
2   LEUGLNTRPGLUGLNALAGLNASPTYRLEU
3   LYSARGPHETYRLEUTYRASPSERGLUTHR
4   LYSASNALAASNSERLEUGLUALALYSLEU
5   LYSGLUMETGLNLYSPHEPHEGLYLEUPRO
6   ILETHRGLYMETLEUASNSERARGVALILE
7   GLUILEMETGLNLYSPROARGCYSGLYVAL
8   PROASPVALALAGLUTYRSERLEUPHEPRO
9   ASNSERPROLYSTRPTHRSERLYSVALVAL
10   THRTYRARGILEVALSERTYRTHRARGASP
11   LEUPROHISILETHRVALASPARGLEUVAL
12   SERLYSALALEUASNMETTRPGLYLYSGLU
13   ILEPROLEUHISPHEARGLYSVALVALTRP
14   GLYTHRALAASPILEMETILEGLYPHEALA
15   ARGGLYALAHISGLYASPSERTYRPROPHE
16   ASPGLYPROGLYASNTHRLEUALAHISALA
17   PHEALAPROGLYTHRGLYLEUGLYGLYASP
18   ALAHISPHEASPGLUASPGLUARGTRPTHR
19   ASPGLYSERSERLEUGLYILEASNPHELEU
20   TYRALAALATHRHISALALEUGLYHISSER
21   LEUGLYMETGLYHISSERSERASPPROASN
22   ALAVALMETTYRPROTHRTYRGLYASNGLY
23   ASPPROGLNASNPHELYSLEUSERGLNASP
24   ASPILELYSGLYILEGLNLYSLEUTYRGLY
25   LYSARGSERASNSERARGLYSLYS

Entity 2, CALCIUM ION_1 - Ca - 40.078 Da.

1   CA

Entity 3, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Entity 4, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE_1 - C36 H73 N O8 P - 678.940 Da.

1   PX4

Samples:

NOE: entity_1, [U-100% 15N, U-100% 13CH3 (ILV)], 0.4 mM; 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 50 mM; 1,2-DIHEXANEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 100 mM; imidazole 20 mM; CaCl2 10 mM; ZnCl2 20 uM; beta-mercaptoethanol 10 mM; sodium azide 0.02%; H2O 90%; D2O 10%

PRE: entity_1, [U-100% 15N, U-100% 13CH3 (ILV)], 0.4 mM; 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 50 mM; 1,2-DIHEXANEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 100 mM; imidazole 20 mM; CaCl2 10 mM; ZnCl2 20 uM; beta-mercaptoethanol 10 mM; sodium azide 0.02%; 1-palmitoyl-2-stearoyl-(5-doxyl)-sn-glycero-3-phosphocholine 1.5 mM; 1-palmitoyl-2-stearoyl-(14-doxyl)-sn-glycero-3-phosphocholine 1.5 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.6; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYNOEisotropicsample_conditions_1
3D 1H-13C NOESYNOEisotropicsample_conditions_1
2D 1H-15N HSQC, CPMGPREisotropicsample_conditions_1
2D 1H-13C HSQC, CPMGPREisotropicsample_conditions_1

Software:

TOPSPIN v3.1, Bruker Biospin - collection, processing

Analysis v2.4, CCPN - chemical shift assignment, peak picking

HADDOCK v2.1, Alexandre Bonvin - structure solution

GROMOS v4.5.7, van Gunsteren and Berendsen - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

NCBI NP_002414.1