Download MendeleyFaropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
Mire, J.A., Pai, P., Siddiqi, N., Russell, D.H., Rubin, E.J., Sacchettini, J.C.To be published.
4EBL
BlaC E166A Faropenem Acyl-Intermediate Complex
- PDB DOI: https://doi.org/10.2210/pdb4EBL/pdb
- Classification: Hydrolase/Antibiotic
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2012-03-23 Released: 2013-04-03
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.204
- R-Value Work: 0.173
- R-Value Observed: 0.175
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 | 265 | Mycobacterium tuberculosis | Mutation(s): 1 Gene Names: blaA, blaC, MT2128, MTCY49.07c, Rv2068c EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for P9WKD3 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WKD3 Go to UniProtKB: P9WKD3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WKD3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| DGF Query on DGF | I [auth B], L [auth C] | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid C12 H17 N O5 S FHQOUTNMKXYVEY-MKSGQPMJSA-N |  | ||
| PO4 Query on PO4 | E [auth A] F [auth A] G [auth A] H [auth B] J [auth C] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.204
- R-Value Work: 0.173
- R-Value Observed: 0.175
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 78.792 | α = 90 |
| b = 96.946 | β = 107.95 |
| c = 109.526 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data collection |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2013-04-03 Deposition Author(s): Mire, J.A., TB Structural Genomics Consortium (TBSGC)
Revision History (Full details and data files)
- Version 1.0: 2013-04-03
Type: Initial release - Version 1.1: 2017-02-08
Changes: Non-polymer description - Version 1.2: 2024-11-20
Changes: Data collection, Database references, Derived calculations, Structure summary
