Download MendeleyCTX-M-9 S70G mutant in complex with hydrolyzed piperacillin
Leyssne, D., Delmas, J., Coignoux, A., Robin, F., Bonnet, R.To be published.
3Q1F
CTX-M-9 S70G in complex with hydrolyzed piperacillin
- PDB DOI: https://doi.org/10.2210/pdb3Q1F/pdb
- Classification: Hydrolase/Antibiotic
- Organism(s): Escherichia coli
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2010-12-17 Released: 2011-12-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.176
- R-Value Work: 0.144
- R-Value Observed: 0.145
Starting Model: experimental
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This is version 1.1 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 | 263 | Escherichia coli | Mutation(s): 1 Gene Names: blaCTX-M-9, blaCTX-M-9a, blaCTX-M-9b EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for Q9L5C8 (Escherichia coli) Explore Q9L5C8 Go to UniProtKB: Q9L5C8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9L5C8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| YPP Query on YPP | C [auth A], D [auth A], E [auth B], F [auth B] | Hydrolyzed piperacillin C23 H29 N5 O8 S OKSUEATVFIVTFV-WBTNSWJXSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.176
- R-Value Work: 0.144
- R-Value Observed: 0.145
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 45.098 | ¦Á = 90 |
| b = 106.606 | ¦Â = 101.92 |
| c = 47.541 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| DNA | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2011-12-21 Deposition Author(s): Leyssne, D., Delmas, J., Coignoux, A., Robin, F., Bonnet, R.
Revision History (Full details and data files)
- Version 1.0: 2011-12-21
Type: Initial release - Version 1.1: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description
