Download MendeleyCrystal structure of MurE from E.coli
Koekemoer, L., Steindel, M., Fairhead, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Krojer, T.To be published.
7B9W
Crystal structure of MurE from E.coli in complex with Z757284380
- PDB DOI: https://doi.org/10.2210/pdb7B9W/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2020-12-14 Released: 2021-01-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.82 Å
- R-Value Free: 0.231
- R-Value Work: 0.193
Starting Model: experimental
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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 |
| UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | A [auth AAA], B [auth BBB] | 496 | Escherichia coli K-12 | Mutation(s): 0 Gene Names: murE, b0085, JW0083 EC: 6.3.2.13 |  |
UniProt | |||||
Find proteins for P22188 (Escherichia coli (strain K12)) Explore P22188 Go to UniProtKB: P22188 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P22188 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| T4H (Subject of Investigation/LOI) Query on T4H | E [auth BBB] | 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide C12 H11 Cl N2 O3 S CWILDSFKHIQHCJ-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | C [auth AAA], D [auth AAA] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.82 Å
- R-Value Free: 0.231
- R-Value Work: 0.193
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 58.409 | α = 97.11 |
| b = 58.621 | β = 91.54 |
| c = 74.438 | γ = 104.841 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| xia2 | data reduction |
| xia2 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2021-01-20 Deposition Author(s): Koekemoer, L., Steindel, M., Fairhead, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Krojer, T., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2021-01-20
Type: Initial release - Version 1.1: 2024-01-31
Changes: Data collection, Database references, Derived calculations, Refinement description
