Download MendeleyCrystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides
James, M.N.G., Sielecki, A.R., Moult, J.(1992) Biochemistry 31: 3872
1APU
Crystallographic analysis of a pepstatin analogue binding to the aspartyl proteinase penicillopepsin at 1.8 angstroms resolution
- PDB DOI: https://doi.org/10.2210/pdb1APU/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Penicillium janthinellum
- Mutation(s): No
- Deposited: 1991-12-16 Released: 1994-01-31
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Observed: 0.131
wwPDB Validation 3D Report Full Report
This is version 1.4 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| PROTEIN (PENICILLOPEPSIN) | A [auth E] | 323 | Penicillium janthinellum | Mutation(s): 0 EC: 3.4.23.20 |  |
UniProt | |||||
Find proteins for P00798 (Penicillium janthinellum) Explore P00798 Go to UniProtKB: P00798 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00798 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET | B [auth I] | 4 | N/A | 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 I] | 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_001238 Query on PRD_001238 | B [auth I] | PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET | Oligopeptide / Enzyme inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Observed: 0.131
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 97.24 | α = 90 |
| b = 46.5 | β = 115.34 |
| c = 65.65 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PROLSQ | refinement |
Entry History
Deposition Data
- Released Date: 1994-01-31 Deposition Author(s): Sielecki, A.R., James, M.N.G.
Revision History (Full details and data files)
- Version 1.0: 1994-01-31
Type: Initial release - Version 1.1: 2008-03-24
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: 2014-06-04
Changes: Structure summary - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Other, Structure summary
