Download MendeleyThe Antibacterial Target Enzyme Mura Synthesizes its Own Non-Covalent Suicide Inhibitor from the Natural Product Cnicin
Steinbach, A., Skarzynski, T., Scheidig, A.J., Klein, C.D.To be published.
2Z2C
MURA inhibited by unag-cnicin adduct
- PDB DOI: https://doi.org/10.2210/pdb2Z2C/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Escherichia coli
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2007-05-17 Released: 2008-05-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 Å
- R-Value Free: 0.271
- R-Value Work: 0.191
- R-Value Observed: 0.195
This is version 1.6 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-acetylglucosamine 1-carboxyvinyltransferase | 423 | Escherichia coli | Mutation(s): 0 Gene Names: MURA EC: 2.5.1.7 |  | |
UniProt | |||||
Find proteins for P0A749 (Escherichia coli (strain K12)) Explore P0A749 Go to UniProtKB: P0A749 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A749 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| UDP Query on UDP | E [auth A], G [auth B], I [auth C], K [auth D] | URIDINE-5'-DIPHOSPHATE C9 H14 N2 O12 P2 XCCTYIAWTASOJW-XVFCMESISA-N |  | ||
| UDC Query on UDC | F [auth A], H [auth B], J [auth C], L [auth D] | 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose C13 H23 N O10 NSPVGDAWQINIKU-TXJFNNIZSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 Å
- R-Value Free: 0.271
- R-Value Work: 0.191
- R-Value Observed: 0.195
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 65.127 | α = 108.69 |
| b = 80.369 | β = 111.07 |
| c = 84.871 | γ = 101.17 |
| Software Name | Purpose |
|---|---|
| MOLREP | phasing |
| REFMAC | refinement |
| MAR345dtb | data collection |
| MAR345 | data collection |
| XDS | data scaling |
| XSCALE | data scaling |
Entry History
Deposition Data
- Released Date: 2008-05-20 Deposition Author(s): Steinbach, A., Skarzynski, T., Scheidig, A.J., Klein, C.D.
Revision History (Full details and data files)
- Version 1.0: 2008-05-20
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2011-07-27
Changes: Advisory, Database references, Derived calculations, Non-polymer description - Version 1.3: 2017-10-11
Changes: Advisory, Refinement description - Version 1.4: 2020-06-24
Changes: Advisory, Data collection, Derived calculations - Version 1.5: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Derived calculations, Structure summary - Version 1.6: 2023-11-01
Changes: Data collection, Database references, Refinement description, Structure summary
