Download MendeleyTOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
Coates, L., Langan, P.S., Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Ginell, S.L.To be published.
5KMW
TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
- PDB DOI: https://doi.org/10.2210/pdb5KMW/pdb
- Classification: HYDROLASE
- Organism(s): Escherichia coli
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2016-06-27 Released: 2017-03-01
- Funding Organization(s): Department of Energy (DOE, United States)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.170
- R-Value Observed: 0.136
This is version 1.3 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 Toho-1 | 256 | Escherichia coli | Mutation(s): 3 Gene Names: bla EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for Q47066 (Escherichia coli) Explore Q47066 Go to UniProtKB: Q47066 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q47066 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PNM Query on PNM | D [auth A] | OPEN FORM - PENICILLIN G C16 H20 N2 O4 S OGFZUTGOGYUTKZ-KWCYVHTRSA-N |  | ||
| PNN Query on PNN | E [auth A], F [auth A] | PENICILLIN G C16 H18 N2 O4 S JGSARLDLIJGVTE-MBNYWOFBSA-N |  | ||
| SO4 Query on SO4 | B [auth A], C [auth A], G [auth A], H [auth A], I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.170
- R-Value Observed: 0.136
- Space Group: P 32 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 72.262 | α = 90 |
| b = 72.262 | β = 90 |
| c = 98.193 | γ = 120 |
| Software Name | Purpose |
|---|---|
| SHELXL-97 | refinement |
| XDS | data scaling |
| SCALA | data scaling |
| Coot | model building |
| SHELX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-03-01 Deposition Author(s): Coates, L., Langan, P.S., Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Ginell, S.L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Department of Energy (DOE, United States) | United States | 32102548 |
Revision History (Full details and data files)
- Version 1.0: 2017-03-01
Type: Initial release - Version 1.1: 2017-09-27
Changes: Author supporting evidence, Refinement description - Version 1.2: 2019-12-04
Changes: Author supporting evidence - Version 1.3: 2024-11-13
Changes: Data collection, Database references, Structure summary
