2WEA
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
- PDB DOI: https://doi.org/10.2210/pdb2WEA/pdb
- Entry: 2WEA supersedes: 1WEA
- Classification: HYDROLASE
- Organism(s): Penicillium janthinellum
- Mutation(s): No
- Deposited: 1998-02-03 Released: 1998-05-27
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 Å
- R-Value Free: 0.190
- R-Value Work: 0.145
- R-Value Observed: 0.149
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| PENICILLOPEPSIN | 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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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PP6 Query on PP6 | E [auth A] | METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE] C29 H32 N2 O7 P BJANYCOFDSBOJK-OIKPOIBNSA-M |  | ||
| MAN Query on MAN | B [auth A], C [auth A] | alpha-D-mannopyranose C6 H12 O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N |  | ||
| SO4 Query on SO4 | D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 Å
- R-Value Free: 0.190
- R-Value Work: 0.145
- R-Value Observed: 0.149
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 96.33 | α = 90 |
| b = 46.27 | β = 115.1 |
| c = 64.59 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XENGEN | data collection |
| XENGEN | data reduction |
| X-PLOR | model building |
| TNT | refinement |
| X-PLOR | refinement |
| XENGEN | data scaling |
| X-PLOR | phasing |
Entry History
Deposition Data
- Released Date: 1998-05-27 Deposition Author(s): Ding, J., Fraser, M.E., James, M.N.G.
- This entry supersedes: 1WEA
Revision History (Full details and data files)
- Version 1.0: 1998-05-27
Type: Initial release - Version 1.1: 2008-03-03
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2018-04-04
Changes: Data collection, Other - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary
