Download MendeleyCrystal structure of a complex formed between group II phospholipase A2 and aspirin at 1.86 A resolution
Singh, N., Jabeen, T., Sharma, S., Bhushan, A., Singh, T.P.To be published.
1TGM | pdb_00001tgm
Crystal structure of a complex formed between group II phospholipase A2 and aspirin at 1.86 A resolution
- PDB DOI: https://doi.org/10.2210/pdb1TGM/pdb
- Classification: HYDROLASE
- Organism(s): Daboia russelii russelii
- Mutation(s): No
- Deposited: 2004-05-28 Released: 2004-06-08
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.86 Å
- R-Value Free: 0.224 (Depositor)
- R-Value Work: 0.197 (Depositor)
- R-Value Observed: 0.199 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.4 of the entry. See complete history.
Literature
To be published.
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Phospholipase A2 | 121 | Daboia russelii russelii | Mutation(s): 0 EC: 3.1.1.4 |  | |
UniProt | |||||
Find proteins for P59071 (Daboia russelii) Explore P59071 Go to UniProtKB: P59071 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P59071 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AIN Query on AIN | B [auth A] | 2-(ACETYLOXY)BENZOIC ACID C9 H8 O4 BSYNRYMUTXBXSQ-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.86 Å
- R-Value Free: 0.224 (Depositor)
- R-Value Work: 0.197 (Depositor)
- R-Value Observed: 0.199 (Depositor)
Space Group: P 43
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 53.314 | α = 90 |
| b = 53.314 | β = 90 |
| c = 48.453 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2004-06-08 Deposition Author(s): Singh, N., Jabeen, T., Sharma, S., Bhushan, A., Singh, T.P.
Revision History (Full details and data files)
- Version 1.0: 2004-06-08
Type: Initial release - Version 1.1: 2008-04-30
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2023-08-23
Changes: Data collection, Database references, Derived calculations, Refinement description, Structure summary - Version 1.4: 2024-10-30
Changes: Structure summary
