Download MendeleySubstrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Langan, P.S., Vandavasi, V.G., Cooper, S.J., Weiss, K.L., Ginell, S.L., Parks, J.M., Coates, L.(2018) ACS Catal 8: 2428-2437
6C79 | pdb_00006c79
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
- PDB DOI: https://doi.org/10.2210/pdb6C79/pdb
- Classification: HYDROLASE
- Organism(s): Escherichia coli
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-01-22 Released: 2018-03-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.164 (Depositor), 0.170 (DCC)
- R-Value Work: 0.144 (Depositor), 0.150 (DCC)
This is version 1.2 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 |
| Beta-lactamase Toho-1 | 261 | Escherichia coli | Mutation(s): 0 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CE3 Query on CE3 | B [auth A] | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy
clo[4.2.0]oct-2-ene-2-carboxylic acid C16 H17 N5 O7 S2 GPRBEKHLDVQUJE-QSWIMTSFSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A], E [auth A], F [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: 0.164 (Depositor), 0.170 (DCC)
- R-Value Work: 0.144 (Depositor), 0.150 (DCC)
Space Group: P 32 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 72.72 | α = 90 |
| b = 72.72 | β = 90 |
| c = 98.944 | γ = 120 |
| Software Name | Purpose |
|---|---|
| SHELXL | refinement |
| XDS | data reduction |
| SCALA | data scaling |
Entry History
Deposition Data
- Released Date: 2018-03-21 Deposition Author(s): Coates, L., Langan, P.S., Vandavasi, V.G., Cooper, S.J., Weiss, K.L., Ginell, S.L., Parks, J.M.
Revision History (Full details and data files)
- Version 1.0: 2018-03-21
Type: Initial release - Version 1.1: 2019-01-23
Changes: Data collection, Refinement description - Version 1.2: 2024-03-13
Changes: Data collection, Database references, Derived calculations, Structure summary
