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.
4EBN
BlaC Amoxicillin Acyl-Intermediate Complex
- PDB DOI: https://doi.org/10.2210/pdb4EBN/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: 2.85 Å
- R-Value Free: 0.244
- R-Value Work: 0.213
- R-Value Observed: 0.215
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 | 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 | |
| AXL Query on AXL | H [auth B], I [auth C] | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID C16 H21 N3 O5 S SMLJDSWXGVMNTH-NRWUCQMLSA-N |  | ||
| PO4 Query on PO4 | E [auth A] F [auth A] G [auth A] J [auth C] K [auth D] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.85 Å
- R-Value Free: 0.244
- R-Value Work: 0.213
- R-Value Observed: 0.215
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 79.567 | α = 90 |
| b = 96.672 | β = 107.52 |
| c = 109.808 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data collection |
| PHENIX | refinement |
| DENZO | 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: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
