Download MendeleyCrystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
Bhattacharya, S., Hazra, S.To be published.
8IY4 | pdb_00008iy4
Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
- PDB DOI: https://doi.org/10.2210/pdb8IY4/pdb
- Classification: ANTIMICROBIAL PROTEIN
- Organism(s): Yersinia enterocolitica
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2023-04-03 Released: 2024-04-03
- Funding Organization(s): Indian Council of Medical Research, Science and Engineering Research Board (SERB)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.264 (Depositor), 0.264 (DCC)
- R-Value Work: 0.202 (Depositor), 0.202 (DCC)
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 | 294 | Yersinia enterocolitica | Mutation(s): 0 Gene Names: blaA EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for Q01166 (Yersinia enterocolitica) Explore Q01166 Go to UniProtKB: Q01166 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q01166 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MER (Subject of Investigation/LOI) Query on MER | B [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 |  | ||
| PO4 (Subject of Investigation/LOI) Query on PO4 | C [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.264 (Depositor), 0.264 (DCC)
- R-Value Work: 0.202 (Depositor), 0.202 (DCC)
Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 91.774 | α = 90 |
| b = 72.619 | β = 94.953 |
| c = 43.707 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| CrysalisPro | data collection |
| Coot | model building |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-04-03 Deposition Author(s): Bhattacharya, S., Hazra, S.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Indian Council of Medical Research | India | 5/3/8/17/GIA-ITR |
| Indian Council of Medical Research | India | BIC/12(15)/2014, |
| Science and Engineering Research Board (SERB) | India | YSS/2014/000492 |
Revision History (Full details and data files)
- Version 1.0: 2024-04-03
Type: Initial release - Version 1.1: 2024-10-16
Changes: Structure summary
