Download MendeleyHigh-resolution activity and inhibitor profiling of residue 105 in class A beta-lactamases
Radojkovic, M., Koene, S.F., Chikunova, A., Timmer, M., Natarajan, S.V., Ubbink, M.To be published.
9QI5 | pdb_00009qi5
Crystal structure of I105R mutant of BlaC from Mycobacterium tuberculosis
- PDB DOI: https://doi.org/10.2210/pdb9QI5/pdb
- Classification: HYDROLASE
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2025-03-17 Released: 2025-06-11
- Funding Organization(s): Netherlands Organisation for Scientific Research (NWO)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.211 (Depositor), 0.222 (DCC)
- R-Value Work: 0.173 (Depositor), 0.185 (DCC)
- R-Value Observed: 0.175 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.0 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 | 266 | Mycobacterium tuberculosis | Mutation(s): 1 Gene Names: blaC, blaA, BQ2027_MB2094C EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for P0A5I7 (Mycobacterium bovis (strain ATCC BAA-935 / AF2122/97)) Explore P0A5I7 Go to UniProtKB: P0A5I7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A5I7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | C [auth A], D [auth A], E [auth A], G [auth B], H [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | F [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.211 (Depositor), 0.222 (DCC)
- R-Value Work: 0.173 (Depositor), 0.185 (DCC)
- R-Value Observed: 0.175 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 39.161 | α = 90 |
| b = 40.975 | β = 90 |
| c = 267.495 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOLREP | phasing |
| XDS | data reduction |
| Aimless | data scaling |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-06-11 Deposition Author(s): Chikunova, A., Radojkovic, M., Ubbink, M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Netherlands Organisation for Scientific Research (NWO) | Netherlands | OCENW.KLEIN.264 |
Revision History (Full details and data files)
- Version 1.0: 2025-06-11
Type: Initial release
