BMRB Entry 11531

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11531
MolProbity Validation Chart

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Title:
Solution structure of the chitin-binding domain of Chi18aC from Streptomyces coelicolor
Deposition date:
2013-08-26
Original release date:
2014-08-25
Authors:
Okumura, Akiko; Uemura, Michio; Yamada, Nobuaki; Chikaishi, Eriko; Takai, Tomoyo; Yoshio, Sachiko; Akagi, Keiko; Morita, Junji; Lee, Young-Ho; Yokogawa, Daisuke; Suzuki, Kazushi; Watanabe, Takeshi; Ikegami, Takahisa
Citation:

Citation: Okumura, Akiko; Uemura, Michio; Yamada, Nobuaki; Chikaishi, Eriko; Takai, Tomoyo; Yoshio, Sachiko; Akagi, Keiko; Morita, Junji; Lee, Young-Ho; Yokogawa, Daisuke; Suzuki, Kazushi; Watanabe, Takeshi; Ikegami, Takahisa. "Solution structure of the Chitin-binding domain of chitinase Chi18aC from Streptomyces coelicolor"  .

Assembly members:

Assembly members:
Chi18aC_CBD, polymer, 105 residues, 10609.385 Da.

Natural source:

Natural source:   Common Name: Streptomyces coelicolor   Taxonomy ID: 1902   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces coelicolor

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Chi18aC_CBD: ATSATATFAKTSDWGTGFGG SWTVKNTGTTSLSSWTVEWD FPTGTKVTSAWDATVTNSGD HWTAKNVGWNGTLAPGASVS FGFNGSGPGSPSNCKLNGGS CDGTS

Data sets:
Data typeCount
13C chemical shifts354
15N chemical shifts99
1H chemical shifts528

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Chi18aC_CBD1

Entities:

Entity 1, Chi18aC_CBD 105 residues - 10609.385 Da.

1   ALATHRSERALATHRALATHRPHEALALYS
2   THRSERASPTRPGLYTHRGLYPHEGLYGLY
3   SERTRPTHRVALLYSASNTHRGLYTHRTHR
4   SERLEUSERSERTRPTHRVALGLUTRPASP
5   PHEPROTHRGLYTHRLYSVALTHRSERALA
6   TRPASPALATHRVALTHRASNSERGLYASP
7   HISTRPTHRALALYSASNVALGLYTRPASN
8   GLYTHRLEUALAPROGLYALASERVALSER
9   PHEGLYPHEASNGLYSERGLYPROGLYSER
10   PROSERASNCYSLYSLEUASNGLYGLYSER
11   CYSASPGLYTHRSER

Samples:

sample_1: Chi18aC_CBD, [U-15N], 1.1 mM; potassium phosphate 20 mM; sodium azide 0.02%; DTT 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: Chi18aC_CBD, [U-13C; U-15N], 0.64 mM; potassium phosphate 20 mM; sodium azide 0.02%; DTT 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_3: Chi18aC_CBD, [U-13C; U-15N], 0.71 mM; potassium phosphate 20 mM; sodium azide 0.02%; DTT 1 mM; D2O, [U-2H], 100%

sample_4: Chi18aC_CBD, [U-15% 13C; U-15N], 0.37 mM; potassium phosphate 20 mM; sodium azide 0.02%; DTT 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_5: Chi18aC_CBD 1.0 mM; potassium phosphate 20 mM; sodium azide 0.02%; DTT 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_5isotropicsample_conditions_1
2D 1H-1H NOESYsample_5isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_3isotropicsample_conditions_1
4D H(CCO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSY aromaticsample_3isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Bruker DRX 600 MHz
  • Bruker DRX 800 MHz
  • Bruker Avance 400 MHz

Related Database Links:

PDB
DBJ BAA02168 BAA75644
EMBL CAB94547
GB AAD16453 AIJ13316 AIV34186 EFD66692 EOY50353
REF NP_629515 WP_003973621 WP_011030211 WP_030187284 WP_052840663
SP P36909
AlphaFold P36909

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