Download MendeleyBlaC-E166A covalently bound with cephalosporins and penicillins
Tremblay, L.W., Blanchard, J.S.To be published.
3NDG
Crystal Structure of BlaC-E166A covalently bound with Methicillin
- PDB DOI: https://doi.org/10.2210/pdb3NDG/pdb
- Classification: Hydrolase/Antibiotic
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2010-06-07 Released: 2011-12-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.191
- R-Value Work: 0.153
- R-Value Observed: 0.155
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 |
| 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 | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 7EP Query on 7EP | D [auth A] | (2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid C17 H22 N2 O6 S SKOKQNRJVBPEBM-ZDBHGNHJSA-N |  | ||
| PO4 Query on PO4 | B [auth A], C [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.191
- R-Value Work: 0.153
- R-Value Observed: 0.155
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 49.355 | α = 90 |
| b = 67.908 | β = 90 |
| c = 75.569 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| MOSFLM | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2011-12-14 Deposition Author(s): Tremblay, L.W., Blanchard, J.S.
Revision History (Full details and data files)
- Version 1.0: 2011-12-14
Type: Initial release - Version 1.1: 2012-03-28
Changes: Other - Version 1.2: 2017-11-08
Changes: Refinement description - Version 1.3: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.4: 2024-11-20
Changes: Structure summary
