BMRB Entry 4588

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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/BMR4588
MolProbity Validation Chart

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Title:
Proton and nitrogen chemical shift assignments for the chitin-binding domain of Bacillus circulans WL-12 Chitinase A1
Deposition date:
2000-05-05
Original release date:
2000-11-29
Authors:
Ikegami, Takahisa; Okada, Terumasa; Hashimoto, Masayuki; Seino, Shizuka; Watanabe, Takeshi; Shirakawa, Masahiro
Citation:

Citation: Ikegami, Takahisa; Okada, Terumasa; Hashimoto, Masayuki; Seino, Shizuka; Watanabe, Takeshi; Shirakawa, Masahiro. "Solution structure of the chitin-binding domain of Bacillus circulans WL-12 chitinase A1"  J. Biol. Chem. 275, 13654-13661 (2000).
PubMed: 10788483

Assembly members:

Assembly members:
CHITINASE A1, polymer, 59 residues, 5018 Da.

Natural source:

Natural source:   Common Name: soil bacteria   Taxonomy ID: 1397   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Bacillus circulans

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET3A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CHITINASE A1: MASMTGGGGMGRGSAWQVNT AYTAGQLVTYNGKTYKCLQP HTSLAGWEPSNVPALWQLQ

Data sets:
Data typeCount
1H chemical shifts297
15N chemical shifts51
coupling constants31

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Chitinase A1, Chitin-binding domain1

Entities:

Entity 1, Chitinase A1, Chitin-binding domain 59 residues - 5018 Da.

1   METALASERMETTHRGLYGLYGLYGLYMET
2   GLYARGGLYSERALATRPGLNVALASNTHR
3   ALATYRTHRALAGLYGLNLEUVALTHRTYR
4   ASNGLYLYSTHRTYRLYSCYSLEUGLNPRO
5   HISTHRSERLEUALAGLYTRPGLUPROSER
6   ASNVALPROALALEUTRPGLNLEUGLN

Samples:

sample_1: CHITINASE A1, [U-15N], 2.0 mM; KH2PO4/K2HPO4 10 mM; dithiothreitol, [U-2H], 10 mM; H2O 90%; D2O 10%

sample_2: CHITINASE A1, [U-15N], 1.2 mM; KH2PO4/K2HPO4 100 mM; dithiothreitol, [U-2H], 10 mM; D2O 99.8%

sample_cond_1: pH: 6.0; temperature: 310 K; ionic strength: 10 mM; pressure: 1 atm

sample_cond_2: pH: 6.0; temperature: 310 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
3D 15N-separated NOESYnot availablenot availablenot available
HMQC-Jnot availablenot availablenot available
3D (H)NNH-TOCSYnot availablenot availablenot available
2D H(NN)H-TOCSYnot availablenot availablenot available

Software:

X-PLOR v3.851 - refinement

DYANA v1.5 - structure solution

NMRPipe v1.7 - processing

XWINNMR v2.0 - collection

nmrPipp v4.2.4 - data analysis

Molmol v2.3 - structure analysis

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Bruker DRX 800 MHz

Related Database Links:

BMRB 4742
PDB
EMBL CAG28938 CAG28939 CDK12648 CDK12649 CDK12650
GB AAA81528 AAD49604 AAN07183 AAY41169 ABQ96889
REF WP_053782577
SP P20533
AlphaFold P20533

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