Download MendeleyStructure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
June, C.M., Vallier, B.C., Bonomo, R.A., Leonard, D.A., Powers, R.A.To be published.
4F94
Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
- PDB DOI: https://doi.org/10.2210/pdb4F94/pdb
- Classification: Hydrolase/Antibiotic
- Organism(s): Acinetobacter baumannii
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2012-05-18 Released: 2013-08-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.214
- R-Value Work: 0.178
- R-Value Observed: 0.180
Starting Model: experimental
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This is version 1.2 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 |
| Beta-lactamase | 245 | Acinetobacter baumannii | Mutation(s): 1 Gene Names: bla, bla-OXA-40, blaOXA-24, blaOXA-33, blaOXA-40, oxa-24, oxa40 EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for Q8RLA6 (Acinetobacter baumannii) Explore Q8RLA6 Go to UniProtKB: Q8RLA6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8RLA6 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 1S6 Query on 1S6 | B [auth A] | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb
oxylic acid C19 H21 N3 O5 S QXXMSXCGXIRLPM-ISTRZQFTSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A], E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.214
- R-Value Work: 0.178
- R-Value Observed: 0.180
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 102.334 | α = 90 |
| b = 102.334 | β = 90 |
| c = 87.444 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2013-08-14 Deposition Author(s): June, C.M., Vallier, B.C., Bonomo, R.A., Leonard, D.A., Powers, R.A.
Revision History (Full details and data files)
- Version 1.0: 2013-08-14
Type: Initial release - Version 1.1: 2013-10-09
Changes: Non-polymer description - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description, Structure summary
