Download MendeleyComplexed structures of AmpC beta-lactamase
Docter, B.E., Baggett, V.L., Powers, R.A., Wallar, B.J.To be published.
4KG2
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime
- PDB DOI: https://doi.org/10.2210/pdb4KG2/pdb
- Classification: Hydrolase/antibiotic
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2013-04-28 Released: 2014-10-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 Å
- R-Value Free: 0.236
- R-Value Work: 0.187
- R-Value Observed: 0.189
This is version 2.1 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 | A [auth B], B [auth A] | 358 | Escherichia coli K-12 | Mutation(s): 0 Gene Names: ampC, ampA, b4150, JW4111 EC: 3.5.2.6 |  |
UniProt | |||||
Find proteins for P00811 (Escherichia coli (strain K12)) Explore P00811 Go to UniProtKB: P00811 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00811 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CEF Query on CEF | F [auth B], H [auth A] | CEFOTAXIME, C3' cleaved, open, bound form C14 H15 N5 O5 S2 NRYMPLKBKFIWQC-YVCCLBOHSA-N |  | ||
| PO4 Query on PO4 | C [auth B], D [auth B], E [auth B], G [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 Å
- R-Value Free: 0.236
- R-Value Work: 0.187
- R-Value Observed: 0.189
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 117.836 | α = 90 |
| b = 78.751 | β = 115.4 |
| c = 98.095 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2014-10-29 Deposition Author(s): Docter, B.E., Baggett, V.L., Powers, R.A., Wallar, B.J.
Revision History (Full details and data files)
- Version 1.0: 2014-10-29
Type: Initial release - Version 2.0: 2018-09-19
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2024-10-16
Changes: Data collection, Database references, Derived calculations, Structure summary
