1IZE
Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin
- PDB DOI: https://doi.org/10.2210/pdb1IZE/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Aspergillus oryzae, Streptomyces argenteolus subsp. toyonakensis
- Mutation(s): No
- Deposited: 2002-10-02 Released: 2003-03-04
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.221
- R-Value Work: 0.185
- R-Value Observed: 0.185
This is version 1.6 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| aspartic proteinase | 323 | Aspergillus oryzae | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for P0CU33 (Aspergillus oryzae) Explore P0CU33 Go to UniProtKB: P0CU33 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0CU33 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Pepstatin | 6 | Streptomyces argenteolus subsp. toyonakensis | Mutation(s): 0 |  | |
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MAN Query on MAN | C [auth A] | alpha-D-mannopyranose C6 H12 O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_000557 Query on PRD_000557 | B | Pepstatin | Oligopeptide / Enzyme inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.221
- R-Value Work: 0.185
- R-Value Observed: 0.185
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 106.767 | α = 90 |
| b = 38.627 | β = 120.31 |
| c = 78.732 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| CNS | refinement |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2003-03-04 Deposition Author(s): Kamitori, S., Ohtaki, A., Ino, H., Takeuchi, M.
Revision History (Full details and data files)
- Version 1.0: 2003-03-04
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary, Version format compliance - Version 1.3: 2013-02-27
Changes: Other - Version 1.4: 2017-10-04
Changes: Refinement description - Version 1.5: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.6: 2023-12-27
Changes: Data collection, Database references, Structure summary
