Download MendeleyThree-dimensional structure of the catalytic domain of chitinase A1 from Bacillus circulans WL-12 at a very high resolution
Matsumoto, T., Nonaka, T., Hashimoto, M., Watanabe, T., Mitsui, Y.(1999) Proc Jpn Acad Ser B Phys Biol Sci 75: 269-274
1ITX
Catalytic Domain of Chitinase A1 from Bacillus circulans WL-12
- PDB DOI: https://doi.org/10.2210/pdb1ITX/pdb
- Classification: HYDROLASE
- Organism(s): Niallia circulans
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2002-02-13 Released: 2002-03-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.137
- R-Value Work: 0.116
- R-Value Observed: 0.117
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.4 of the entry. See complete history.
Literature
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Glycosyl Hydrolase | 419 | Niallia circulans | Mutation(s): 0 Gene Names: CHIA1 EC: 3.2.1.14 |  | |
UniProt | |||||
Find proteins for P20533 (Niallia circulans) Explore P20533 Go to UniProtKB: P20533 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P20533 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | B [auth A] C [auth A] D [auth A] E [auth A] F [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.137
- R-Value Work: 0.116
- R-Value Observed: 0.117
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.0073 | α = 109.2931 |
| b = 46.8388 | β = 95.4547 |
| c = 55.7001 | γ = 116.6796 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| SCALA | data scaling |
| ARP/wARP | model building |
| REFMAC | refinement |
| CCP4 | data scaling |
Entry History
Deposition Data
- Released Date: 2002-03-13 Deposition Author(s): Iwahori, F., Matsumoto, T., Watanabe, T., Nonaka, T.
Revision History (Full details and data files)
- Version 1.0: 2002-03-13
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 1.3: 2023-10-25
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.4: 2024-10-23
Changes: Structure summary
