Download MendeleyStructural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
Harmer, J.E., McKelvie, J.C., Hobley, G., Roach, P.L.To be published.
4GOM
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Aza-SAM
- PDB DOI: https://doi.org/10.2210/pdb4GOM/pdb
- Classification: TRANSFERASE
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2012-08-20 Released: 2014-02-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.45 Å
- R-Value Free: 0.248
- R-Value Work: 0.209
- R-Value Observed: 0.211
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 |
| DNA adenine methylase | A [auth D], B [auth E], C [auth F] | 278 | Escherichia coli K-12 | Mutation(s): 0 Gene Names: b3387, dam, JW3350 EC: 2.1.1.72 |  |
UniProt | |||||
Find proteins for P0AEE8 (Escherichia coli (strain K12)) Explore P0AEE8 Go to UniProtKB: P0AEE8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0AEE8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 0Y0 Query on 0Y0 | D, E, F | 5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine C14 H21 N7 O5 WSOGVCAFRBSBRE-WFMPWKQPSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.45 Å
- R-Value Free: 0.248
- R-Value Work: 0.209
- R-Value Observed: 0.211
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 161.038 | α = 90 |
| b = 161.038 | β = 90 |
| c = 95.293 | γ = 120 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
Entry History
Deposition Data
- Released Date: 2014-02-26 Deposition Author(s): Harmer, J.E., Roach, P.L.
Revision History (Full details and data files)
- Version 1.0: 2014-02-26
Type: Initial release - Version 1.1: 2024-02-28
Changes: Data collection, Database references, Derived calculations
