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.
7B6P
Crystal structure of E.coli MurE - C269S C340S C450S in complex with Ellman's reagent
- PDB DOI: https://doi.org/10.2210/pdb7B6P/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2020-12-08 Released: 2020-12-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.68 Å
- R-Value Free: 0.239
- R-Value Work: 0.197
Starting Model: experimental
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This is version 1.3 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): 3 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 | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 9JT (Subject of Investigation/LOI) Query on 9JT | C [auth A], G [auth B] | N-phenyl-2-selanylbenzamide C13 H11 N O Se PVPUYGNPKBMXGO-UHFFFAOYSA-N |  | ||
| CIT Query on CIT | F [auth A], I [auth B] | CITRIC ACID C6 H8 O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | J [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| IPA Query on IPA | D [auth A], E [auth A], H [auth B] | ISOPROPYL ALCOHOL C3 H8 O KFZMGEQAYNKOFK-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.68 Å
- R-Value Free: 0.239
- R-Value Work: 0.197
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 58.59 | α = 96.72 |
| b = 58.94 | β = 91.48 |
| c = 74.38 | γ = 104.47 |
| 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., 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: 2023-04-12
Changes: Database references, Derived calculations, Structure summary - Version 1.2: 2024-02-07
Changes: Data collection, Refinement description - Version 1.3: 2024-10-09
Changes: Structure summary
