BMRB Entry 15120

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PDB ID: 2jnp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15120
MolProbity Validation Chart

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Title:
SOLUTION STRUCTURE OF MATRIX METALLOPROTEINASE 3 (MMP-3) IN THE PRESENCE OF N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID (NNGH)
Deposition date:
2007-01-30
Original release date:
2007-10-17
Authors:
Alcaraz, Luis; Banci, Lucia; Bertini, Ivano; Cantini, Francesca; Donaire, Antonio; Gonnelli, Leonardo
Citation:

Citation: Alcaraz, Luis; Banci, Lucia; Bertini, Ivano; Cantini, Francesca; Donaire, Antonio; Gonnelli, Leonardo. "Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors"  J. Biol. Inorg. Chem. 12, 1197-1206 (2007).
PubMed: 17710450

Assembly members:

Assembly members:
MMP3, polymer, 161 residues, 18053.283 Da.
ZN, non-polymer, Formula weight is not available
CA, non-polymer, Formula weight is not available
NGH, 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: recombinant technology   Host organism: Escherichia coli   Vector: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MMP3: GIPKWRKTHLTYRIVNYTPD LPKDAVDSAVEKALKVWEEV TPLTFSRLYEGEADIMISFA VREHGDFYPFDGPGNVLAHA YAPGPGINGDAHFDDDEQWT KDTTGTNLFLVAAHEIGHSL GLFHSANTEALMYPLYHSLT DLTRFRLSQDDINGIQSLYG P

Data sets:
Data typeCount
13C chemical shifts336
15N chemical shifts155
1H chemical shifts883

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
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Assembly:

Entity Assembly IDEntity NameEntity ID
1MMP31
2ZINC ION, 12
3ZINC ION, 22
4CALCIUM ION, 13
5CALCIUM ION, 23
6NNGH4

Entities:

Entity 1, MMP3 161 residues - 18053.283 Da.

1   GLYILEPROLYSTRPARGLYSTHRHISLEU
2   THRTYRARGILEVALASNTYRTHRPROASP
3   LEUPROLYSASPALAVALASPSERALAVAL
4   GLULYSALALEULYSVALTRPGLUGLUVAL
5   THRPROLEUTHRPHESERARGLEUTYRGLU
6   GLYGLUALAASPILEMETILESERPHEALA
7   VALARGGLUHISGLYASPPHETYRPROPHE
8   ASPGLYPROGLYASNVALLEUALAHISALA
9   TYRALAPROGLYPROGLYILEASNGLYASP
10   ALAHISPHEASPASPASPGLUGLNTRPTHR
11   LYSASPTHRTHRGLYTHRASNLEUPHELEU
12   VALALAALAHISGLUILEGLYHISSERLEU
13   GLYLEUPHEHISSERALAASNTHRGLUALA
14   LEUMETTYRPROLEUTYRHISSERLEUTHR
15   ASPLEUTHRARGPHEARGLEUSERGLNASP
16   ASPILEASNGLYILEGLNSERLEUTYRGLY
17   PRO

Entity 2, ZINC ION, 1 - Formula weight is not available

1   ZN

Entity 3, CALCIUM ION, 1 - Formula weight is not available

1   CA

Entity 4, NNGH - Formula weight is not available

1   NGH

Related Database Links:

BMRB 15395 15396 4173 4364 4365 4366
PDB 1B3D 1B8Y 1BIW 1BM6 1BQO 1C3I 1C8T 1CAQ 1CIZ 1CQR 1D5J 1D7X 1D8F 1D8M 1G05 1G49 1G4K 1HFS 1HY7 1OO9 1QIA 1QIC 1SLM 1SLN 1UEA 1UMS 1UMT 1USN 2D1O 2JNP 2JT5 2JT6 2SRT 2USN 3OHL 3OHO 3USN 4DPE 4G9L 4JA1
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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