Download MendeleyInhibition of the GES-2 beta-Lactamse by Tazobactam: Detection of Reaction Intermediates by UV and Mass Spectrometry and X-Ray Crystallography
Frase, H., Smith, C.A., Toth, M., Champion, M.M., Mobashery, S., Vakulenko, S.B.To be published.
3NIA
GES-2 carbapenemase tazobactam complex
- PDB DOI: https://doi.org/10.2210/pdb3NIA/pdb
- Classification: Hydrolase/Hydrolase Inhibitor
- Organism(s): Pseudomonas aeruginosa
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2010-06-15 Released: 2011-03-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.65 Å
- R-Value Free: 0.193
- R-Value Work: 0.155
- R-Value Observed: 0.157
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 GES-2 | 269 | Pseudomonas aeruginosa | Mutation(s): 0 Gene Names: bla GES-2 |  | |
UniProt | |||||
Find proteins for Q93F76 (Pseudomonas aeruginosa) Explore Q93F76 Go to UniProtKB: Q93F76 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q93F76 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TBE Query on TBE | B [auth A] | TAZOBACTAM INTERMEDIATE C10 H14 N4 O5 S ANZZKUOZZHRUQC-AARLMMRRSA-N |  | ||
| TF7 Query on TF7 | C [auth A] | (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine C7 H14 N4 O4 S YZPZKAQMEJGYGB-FSPLSTOPSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.65 Å
- R-Value Free: 0.193
- R-Value Work: 0.155
- R-Value Observed: 0.157
- Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 83.44 | α = 90 |
| b = 83.44 | β = 90 |
| c = 70.97 | γ = 90 |
| Software Name | Purpose |
|---|---|
| Blu-Ice | data collection |
| MOLREP | phasing |
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
Entry History
Deposition Data
- Released Date: 2011-03-02 Deposition Author(s): Frase, H., Smith, C.A., Toth, M., Vakulenko, S.B.
Revision History (Full details and data files)
- Version 1.0: 2011-03-02
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description
