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.
7B6G
Crystal structure of MurE from E.coli in complex with Z1675346324
- PDB DOI: https://doi.org/10.2210/pdb7B6G/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Escherichia coli
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2020-12-07 Released: 2021-01-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.94 Å
- R-Value Free: 0.256
- R-Value Work: 0.205
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 | Mutation(s): 0 Gene Names: murE, GHR40_01000, NCTC12650_04426 EC: 6.3.2.13 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NUJ (Subject of Investigation/LOI) Query on NUJ | D [auth BBB] | trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol C11 H17 N3 O SEZOHQAJJCEOMQ-MGCOHNPYSA-N |  | ||
| DMS Query on DMS | C [auth AAA], E [auth BBB] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.94 Å
- R-Value Free: 0.256
- R-Value Work: 0.205
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 58.276 | α = 97.234 |
| b = 58.293 | β = 91.447 |
| c = 74.115 | γ = 105.313 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| xia2 | data reduction |
| xia2 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2021-01-13 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: 2021-01-13
Type: Initial release - Version 1.1: 2024-01-31
Changes: Data collection, Database references, Derived calculations, Refinement description
