Download MendeleyCrystal structure of MurE from E.coli
Koekemoer, L., Steindel, M., Fairhead, M., Talon, R., Douangamath, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Krojer, T.To be published.
7B6K
Crystal structure of MurE from E.coli in complex with Z57715447
- PDB DOI: https://doi.org/10.2210/pdb7B6K/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2020-12-07 Released: 2020-12-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.84 Å
- R-Value Free: 0.256
- R-Value Work: 0.206
Starting Model: experimental
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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 |
| UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | 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 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SZ2 (Subject of Investigation/LOI) Query on SZ2 | E [auth A], G [auth B] | 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole C13 H15 N3 O XXTHMVRJMJIERU-UHFFFAOYSA-N |  | ||
| CIT Query on CIT | F [auth A], I [auth B] | CITRIC ACID C6 H8 O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N |  | ||
| DMS Query on DMS | C [auth A], H [auth B] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
| IPA Query on IPA | D [auth A] | ISOPROPYL ALCOHOL C3 H8 O KFZMGEQAYNKOFK-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.84 Å
- R-Value Free: 0.256
- R-Value Work: 0.206
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 58.693 | α = 97.098 |
| b = 58.903 | β = 91.201 |
| c = 74.011 | γ = 104.598 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| xia2 | data reduction |
| xia2 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2020-12-23 Deposition Author(s): Koekemoer, L., Steindel, M., Fairhead, M., Talon, R., Douangamath, A., 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: 2020-12-23
Type: Initial release - Version 1.1: 2020-12-30
Changes: Database references, Structure summary - Version 1.2: 2024-01-31
Changes: Data collection, Database references, Derived calculations, Refinement description
