Download MendeleyOXA-58 crystal structure of acylated meropenem complex
Saino, H., Okimoto, N., Otsuka, T., Sugiyabu, T., Sasaki, I., Ueno, G., Oouchi, M., Yamamoto, M., Ishii, K., Taiji, M., Miyano, M.To be published.
7VVI
OXA-58 crystal structure of acylated meropenem complex
- PDB DOI: https://doi.org/10.2210/pdb7VVI/pdb
- Classification: HYDROLASE
- Organism(s): Acinetobacter baumannii
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2021-11-06 Released: 2022-11-23
- Funding Organization(s): Ministry of Education, Culture, Sports, Science and Technology (Japan)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.40 ?
- R-Value Free: 0.149
- R-Value Work: 0.145
- R-Value Observed: 0.158
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 |
| Beta-lactamase | 252 | Acinetobacter baumannii | Mutation(s): 0 Gene Names: blaOXA-58, bla-oxa-58, bla-oxa58 EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for Q2TR58 (Acinetobacter baumannii) Explore Q2TR58 Go to UniProtKB: Q2TR58 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q2TR58 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MER (Subject of Investigation/LOI) Query on MER | C [auth A] | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d
ihydro-1H-pyrrole-2-carboxylic acid C17 H27 N3 O5 S DYQHXZPAIVAJRU-HTXLXMOSSA-N |  | ||
| SO4 Query on SO4 | B [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| KCX Query on KCX | A | L-PEPTIDE LINKING | C7 H14 N2 O4 |  | LYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.40 ?
- R-Value Free: 0.149
- R-Value Work: 0.145
- R-Value Observed: 0.158
- Space Group: H 3
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 75.38 | ¦Á = 90 |
| b = 75.38 | ¦Â = 90 |
| c = 119.531 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| MOLREP | phasing |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-11-23 Deposition Author(s): Saino, H., Sugiyabu, T., Miyano, M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Ministry of Education, Culture, Sports, Science and Technology (Japan) | Japan | S1311005 |
| Ministry of Education, Culture, Sports, Science and Technology (Japan) | Japan | 18K07118 |
Revision History (Full details and data files)
- Version 1.0: 2022-11-23
Type: Initial release - Version 1.1: 2023-11-29
Changes: Data collection, Refinement description
