Download MendeleyCrystallization of Macromolecules in Selenate to Solve the Phase Problem
Jakoncic, J.To be published.
3Q5G
Sulphur SAD structure solution of proteinase K grown in SO4 solution
- PDB DOI: https://doi.org/10.2210/pdb3Q5G/pdb
- Classification: HYDROLASE
- Organism(s): Parengyodontium album
- Mutation(s): No
- Deposited: 2010-12-28 Released: 2011-06-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.77 ?
- R-Value Free: 0.167
- R-Value Work: 0.124
- R-Value Observed: 0.126
wwPDB Validation 3D Report Full Report
This is version 1.3 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Proteinase K | 279 | Parengyodontium album | Mutation(s): 0 EC: 3.4.21.64 |  | |
UniProt | |||||
Find proteins for P06873 (Parengyodontium album) Explore P06873 Go to UniProtKB: P06873 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P06873 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | B [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| GOL Query on GOL | D [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.77 ?
- R-Value Free: 0.167
- R-Value Work: 0.124
- R-Value Observed: 0.126
- Space Group: P 43 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 67.864 | ¦Á = 90 |
| b = 67.864 | ¦Â = 90 |
| c = 102.193 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| DCS_X6A | data collection |
| SHELXS | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2011-06-29 Deposition Author(s): Jakoncic, J.
Revision History (Full details and data files)
- Version 1.0: 2011-06-29
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2018-01-24
Changes: Database references, Structure summary - Version 1.3: 2024-11-20
Changes: Data collection, Database references, Derived calculations, Structure summary
