Download MendeleyCrystal structure of the complex of proteinase K with coumarin at 1.9A resolution
Singh, A.K., Singh, N., Sinha, M., Sharma, S., Kaur, P., Singh, T.P.To be published.
2PWB
Crystal structure of the complex of proteinase K with coumarin at 1.9 A resolution
- PDB DOI: https://doi.org/10.2210/pdb2PWB/pdb
- Classification: HYDROLASE
- Organism(s): Parengyodontium album
- Mutation(s): No
- Deposited: 2007-05-11 Released: 2007-05-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.173
- R-Value Work: 0.142
- R-Value Observed: 0.144
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 | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COU Query on COU | E [auth A] | COUMARIN C9 H6 O2 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |  | ||
| NO3 Query on NO3 | D [auth A] | NITRATE ION N O3 NHNBFGGVMKEFGY-UHFFFAOYSA-N |  | ||
| CA Query on CA | B [auth A], C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.173
- R-Value Work: 0.142
- R-Value Observed: 0.144
- Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.3 | α = 90 |
| b = 68.3 | β = 90 |
| c = 108.384 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MAR345dtb | data collection |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2007-05-22 Deposition Author(s): Singh, A.K., Singh, N., Sinha, M., Sharma, S., Kaur, P., Singh, T.P.
Revision History (Full details and data files)
- Version 1.0: 2007-05-22
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2023-08-30
Changes: Data collection, Database references, Derived calculations, Refinement description
