Download MendeleyCrystal Structure of the Acinetobacter baumannii Macrolide Phosphotransferases E Reveal the Novel Catalysis Mechanism
Qi, Q., Kuang, L., Jiang, Y.To be published.
7W19
Crystal Structure of Acinetobacter baumannii MPH-E
- PDB DOI: https://doi.org/10.2210/pdb7W19/pdb
- Classification: TRANSFERASE
- Organism(s): Acinetobacter baumannii
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2021-11-19 Released: 2022-12-07
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.265
- R-Value Work: 0.224
- R-Value Observed: 0.226
wwPDB Validation 3D Report Full Report
This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Macrolide 2'-phosphotransferase | 302 | Acinetobacter baumannii | Mutation(s): 0 Gene Names: mph(E) |  | |
UniProt | |||||
Find proteins for A5Y459 (Acinetobacter baumannii) Explore A5Y459 Go to UniProtKB: A5Y459 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A5Y459 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CA (Subject of Investigation/LOI) Query on CA | C [auth A], D [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| MG (Subject of Investigation/LOI) Query on MG | E [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.265
- R-Value Work: 0.224
- R-Value Observed: 0.226
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 86.844 | α = 90 |
| b = 142.172 | β = 90 |
| c = 92.229 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 2019YJ0083 |
Revision History (Full details and data files)
- Version 1.0: 2022-12-07
Type: Initial release - Version 1.1: 2023-11-29
Changes: Data collection, Refinement description
