Download Mendeleyacyl-intermediate structures of the class A beta-lactamase SED-G238C
Pernot, L., Petrella, S., Sougakoff, W.To be published.
3BFG
class A beta-lactamase SED-G238C complexed with meropenem
- PDB DOI: https://doi.org/10.2210/pdb3BFG/pdb
- Classification: HYDROLASE
- Organism(s): Citrobacter sedlakii
- Expression System: Escherichia coli BL21
- Mutation(s): Yes
- Deposited: 2007-11-21 Released: 2007-12-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.248
- R-Value Work: 0.198
- R-Value Observed: 0.207
This is version 1.4 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 |
| Class A beta-lactamase Sed1 | 262 | Citrobacter sedlakii | Mutation(s): 1 Gene Names: bla-SED-1 EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for Q93PQ0 (Citrobacter sedlakii) Explore Q93PQ0 Go to UniProtKB: Q93PQ0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q93PQ0 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MER Query on MER | E [auth A], F [auth B], G [auth C], H [auth D] | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d
ihydro-1H-pyrrole-2-carboxylic acid C17 H27 N3 O5 S DYQHXZPAIVAJRU-HTXLXMOSSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.248
- R-Value Work: 0.198
- R-Value Observed: 0.207
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 188.142 | α = 90 |
| b = 73.177 | β = 122.42 |
| c = 105.384 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| MOLREP | phasing |
| CNS | refinement |
| SCALA | data scaling |
Entry History
Deposition Data
- Released Date: 2007-12-18 Deposition Author(s): Pernot, L., Petrella, S., Sougakoff, W.
Revision History (Full details and data files)
- Version 1.0: 2007-12-18
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2012-05-16
Changes: Advisory - Version 1.3: 2021-11-10
Changes: Database references, Derived calculations, Structure summary - Version 1.4: 2023-11-01
Changes: Data collection, Refinement description
