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 21056

Title: SFTI-TCTR N12 N14 NMeSer6

Authors: de Veer, Simon; Swedberg, Joakim; Akcan, Muharrem; Rosengren, Johan; Brattsand, Maria; Craik, David; Harris, Jonathan

Citation: de Veer, Simon; Swedberg, Joakim; Akcan, Muharrem; Rosengren, Johan; Brattsand, Maria; Craik, David; Harris, Jonathan. "Putting Proteases into Reverse Gear: the Role of Sequence and Conformation in Laskowski Mechanism Inhibition"  Not known ., .-..

Assembly members:
entity, polymer, 14 residues, 1564.715 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
entity: GTCTRXIPPICNPN

Data sets:
Data typeCount
1H chemical shifts89

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SFTI-TCTR N12 N14 NMeSer61

Entities:

Entity 1, SFTI-TCTR N12 N14 NMeSer6 14 residues - 1564.715 Da.

GTCTR(MLS)IPPICNPN

1   GLYTHRCYSTHRARGMLSILEPROPROILE
2   CYSASNPROASN

Samples:

sample_1: Sunflower trypsin Inhibitor variant 3 mg

sample_conditions_1: temperature: 298 K; pH: 3.7

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

TOPSPIN v2.1, Bruker Biospin - collection, processing

CCPNMR, CCPN - peak picking, chemical shift assignment

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

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