BMRB Entry 4588
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4588
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Title: Proton and nitrogen chemical shift assignments for the chitin-binding domain of Bacillus circulans WL-12 Chitinase A1 PubMed: 10788483
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: 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).
Assembly members:
CHITINASE A1, polymer, 59 residues, 5018 Da.
Natural source: Common Name: soil bacteria Taxonomy ID: 1397 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus circulans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CHITINASE A1: MASMTGGGGMGRGSAWQVNT
AYTAGQLVTYNGKTYKCLQP
HTSLAGWEPSNVPALWQLQ
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 297 |
| 15N chemical shifts | 51 |
| coupling constants | 31 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Chitinase A1, Chitin-binding domain | 1 |
Entities:
Entity 1, Chitinase A1, Chitin-binding domain 59 residues - 5018 Da.
| 1 | MET | ALA | SER | MET | THR | GLY | GLY | GLY | GLY | MET | ||||
| 2 | GLY | ARG | GLY | SER | ALA | TRP | GLN | VAL | ASN | THR | ||||
| 3 | ALA | TYR | THR | ALA | GLY | GLN | LEU | VAL | THR | TYR | ||||
| 4 | ASN | GLY | LYS | THR | TYR | LYS | CYS | LEU | GLN | PRO | ||||
| 5 | HIS | THR | SER | LEU | ALA | GLY | TRP | GLU | PRO | SER | ||||
| 6 | ASN | VAL | PRO | ALA | LEU | TRP | GLN | LEU | GLN |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 3D 15N-separated NOESY | not available | not available | not available |
| HMQC-J | not available | not available | not available |
| 3D (H)NNH-TOCSY | not available | not available | not available |
| 2D H(NN)H-TOCSY | not available | not available | not 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 |
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