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 18083

Title: Solution structure of a THP type 1 alpha 1 collagen fragment (772-786)   PubMed: 22239621

Deposition date: 2011-11-15 Original release date: 2012-08-29

Authors: Bertini, I.; Fragai, M.; Luchinat, C.; Melikian, M.; Toccafondi, M.; Lauer, J.; Fields, G.

Citation: Bertini, Ivano; Fragai, Marco; Luchinat, Claudio; Melikian, Maxime; Toccafondi, Mirco; Lauer, Janelle; Fields, Gregg. "Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis"  J. Am. Chem. Soc. 134, 2100-2110 (2012).

Assembly members:
entity_1, polymer, 18 residues, 1463.676 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts165
15N chemical shifts45
1H chemical shifts273

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1THP type 1 alpha 1 collagen fragment, 11
2THP type 1 alpha 1 collagen fragment, 21
3THP type 1 alpha 1 collagen fragment, 31


Entity 1, THP type 1 alpha 1 collagen fragment, 1 18 residues - 1463.676 Da.

Corresponding to fragment G772-L785 of mature type 1 alpha 1 collagen



sample: THP type I collagen, [U-98% 13C; U-98% 15N], 0.4 – 0.8 mM; sodium chloride 150 mM; calcium chloride 10 mM; zinc chloride 0.1 mM; tris buffer, [U-2H], 20 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.2; pressure: 1 atm; temperature: 298 K


NameSampleSample stateSample conditions
2D 1H-15N HSQCsampleisotropicsample_conditions_1
3D HNCAsampleisotropicsample_conditions_1
3D CBCA(CO)NHsampleisotropicsample_conditions_1
3D HNCACBsampleisotropicsample_conditions_1


CYANA v2.0, Guntert P. - structure solution

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 900 MHz

Related Database Links:

GB AAD49346 EPQ08966 KQL74538

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