BMRB Entry 4524

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4524
MolProbity Validation Chart

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Title:
Solution Structure of a Type-I Dockerin Domain, a Novel Prokaryotic, Extracellular Calcium-Binding Domain
Deposition date:
1999-11-01
Original release date:
2002-03-29
Authors:
Lytle, B.; Volkman, B.; Westler, W.; Heckman, M.; Wu, J.
Citation:

Citation: Lytle, B.; Volkman, B.; Westler, W.; Heckman, M.; Wu, J.. "Solution Structure of a Type I Dockerin Domain, a Novel Prokaryotic, Extracellular Calcium-binding Domain"  J. Mol. Biol. 307, 745-753 (2001).
PubMed: 11273698

Assembly members:

Assembly members:
DOCKERIN DOMAIN, polymer, 71 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source:

Natural source:   Common Name: Clostridium thermocellum   Taxonomy ID: 1515   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Clostridium thermocellum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: PCYB2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DOCKERIN DOMAIN: MSTKLYGDVNDDGKVNSTDA VALKRYVLRSGISINTDNAD LNEDGRVNSTDLGILKRYIL KEIDTLPYKNG

Data sets:
Data typeCount
1H chemical shifts441
15N chemical shifts69

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Dockerin domain1
2Ca 2+2

Entities:

Entity 1, Dockerin domain 71 residues - Formula weight is not available

1   METSERTHRLYSLEUTYRGLYASPVALASN
2   ASPASPGLYLYSVALASNSERTHRASPALA
3   VALALALEULYSARGTYRVALLEUARGSER
4   GLYILESERILEASNTHRASPASNALAASP
5   LEUASNGLUASPGLYARGVALASNSERTHR
6   ASPLEUGLYILELEULYSARGTYRILELEU
7   LYSGLUILEASPTHRLEUPROTYRLYSASN
8   GLY

Entity 2, Ca 2+ - Ca - 40.078 Da.

1   CA

Samples:

sample_1: DOCKERIN DOMAIN 0.8 mM; potassium chloride 100 mM; calcium chloride 20 mM; D2O 10%; H2O 90%

sample_2: DOCKERIN DOMAIN, [U-15N], 1.0 mM; potassium chloride 100 mM; calcium chloride 20 mM; D2O 10%; H2O 90%

sample_cond_1: pH: 6.0; temperature: 328 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYnot availablenot availablesample_cond_1
2D NOESYnot availablenot availablesample_cond_1
3D 15N separated TOCSYnot availablenot availablesample_cond_1

Software:

DYANA v1.5 - Structure solution

XEASY - NOE assignment

FELIX v95.0 - Processing

NMRPIPE - Processing

NMR spectrometers:

  • Bruker DMX 500 MHz
  • Bruker DMX 600 MHz
  • Bruker DMX 750 MHz

Related Database Links:

BMRB 25158
PDB
EMBL CDG36590
GB AAA23226 AAB27404 ABN53296 ADU75731 AGG53971
REF WP_003514183 WP_003520216 WP_041734333
SP A3DH67 P0C2S5
AlphaFold A3DH67 P0C2S5

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