Download Mendeleyacyl-intermediate structures of the class A beta-lactamase SED-G238C
Pernot, L., Petrella, S., Sougakoff, W.To be published.
3BFF
class A beta-lactamase SED-G238C complexed with faropenem
- PDB DOI: https://doi.org/10.2210/pdb3BFF/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: 1.90 ?
- R-Value Free: 0.205
- R-Value Work: 0.180
- R-Value Observed: 0.189
Starting Model: experimental
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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 | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SFR Query on SFR | F [auth A], J [auth B], M [auth C], O [auth D] | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid C12 H17 N O6 S CGJDLFMMMJEANA-DAGMQNCNSA-N |  | ||
| FPM Query on FPM | L [auth C] | (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C12 H15 N O5 S HGGAKXAHAYOLDJ-FHZUQPTBSA-N |  | ||
| SCN Query on SCN | E [auth A] G [auth B] H [auth B] I [auth B] K [auth C] | THIOCYANATE ION C N S ZMZDMBWJUHKJPS-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 ?
- R-Value Free: 0.205
- R-Value Work: 0.180
- R-Value Observed: 0.189
- Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 187.116 | ¦Á = 90 |
| b = 73.244 | ¦Â = 121.69 |
| c = 103.504 | ¦Ă = 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: 2021-11-10
Changes: Database references, Derived calculations, Structure summary - Version 1.3: 2023-11-01
Changes: Data collection, Refinement description - Version 1.4: 2024-10-16
Changes: Structure summary
