BMRB Entry 5056

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5056

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Title:
ATT an Arabidopsis thaliana Inhibitor of Trypsin and Chymotrypsin: Sequence-Specific Multinuclear Magnetic Resonance Assignments and Secondary Structure
Deposition date:
2001-06-13
Original release date:
2003-01-06
Authors:
Zhao, Qin; Chae, Young-Kee; Markley, John
Citation:

Citation: Zhao, Qin; Chae, Young-Kee; Markley, John. "NMR Solution Structure of ATTp, an Arabidopsis thaliana Trypsin Inhibitor"  Biochemistry 41, 12284-12296 (2002).
PubMed: 12369816

Assembly members:

Assembly members:
ATT, polymer, 68 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: thale cress   Taxonomy ID: 3702   Superkingdom: Eukaryota   Kingdom: Virdiplanta   Genus/species: Arabidopsis thaliana

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ATT: CPEIEAQGNECLKEYGGDVG FGFCAPRIFPTICYTRCREN KGAKGGRCRWGQGSNVKCLC DFCGDTPQ

Data sets:
  • assigned_chemical_shifts
  • coupling_constants
Data typeCount
13C chemical shifts237
15N chemical shifts68
1H chemical shifts371
coupling constants50

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ATT1

Entities:

Entity 1, ATT 68 residues - Formula weight is not available

1   CYSPROGLUILEGLUALAGLNGLYASNGLU
2   CYSLEULYSGLUTYRGLYGLYASPVALGLY
3   PHEGLYPHECYSALAPROARGILEPHEPRO
4   THRILECYSTYRTHRARGCYSARGGLUASN
5   LYSGLYALALYSGLYGLYARGCYSARGTRP
6   GLYGLNGLYSERASNVALLYSCYSLEUCYS
7   ASPPHECYSGLYASPTHRPROGLN

Samples:

sample_1: ATT, [U-15N], 1.0 mM; sodium acetate, [U-99% 2H], 50 mM

sample_2: ATT, [U-15N; U-13C], 1.0 mM; sodium acetate, [U-99% 2H], 50 mM

cond_1: ionic strength: 50 mM; pH: 5.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
HNCAnot availablenot availablenot available
HN(CO)CAnot availablenot availablenot available
HNCACBnot availablenot availablenot available
HNCOnot availablenot availablenot available
C(CO)NH-SEnot availablenot availablenot available
H(CCO)NH-SEnot availablenot availablenot available
HCCH-COSYnot availablenot availablenot available
HCCH-TOCSYnot availablenot availablenot available

Software:

XWINNMR v2.6 - data acquisition

SPARKY v3.72 - assignments, peak picking

NMR spectrometers:

  • Bruker DMX 500 MHz
  • Bruker DMX 600 MHz

Related Database Links:

BMRB 5133
PDB
EMBL CAB62548 CAG15155 CAG15160 CAG15165 CAG15170
GenBank AAB64325 AAK92724 AAM20096
REF NP_181879
SWISS-PROT Q42328

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks