Download MendeleyUrea binding to guide rational design of mutations that influence enzyme dynamics
Hamill, C.J., Arcus, V.L., Prentice, E.J., Bahl, C., Truebridge, I.To be published.
7LV6
The structure of MalL mutant enzyme S536R from Bacillus subtilis
- PDB DOI: https://doi.org/10.2210/pdb7LV6/pdb
- Classification: HYDROLASE
- Organism(s): Bacillus subtilis subsp. subtilis str. 168
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2021-02-24 Released: 2022-03-09
- Funding Organization(s): Marsden Fund
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.145
- R-Value Work: 0.126
- R-Value Observed: 0.127
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
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 |
| Oligo-1,6-glucosidase 1 | A [auth B] | 586 | Bacillus subtilis subsp. subtilis str. 168 | Mutation(s): 1 Gene Names: malL, yvdL, BSU34560 EC: 3.2.1.10 |  |
UniProt | |||||
Find proteins for O06994 (Bacillus subtilis (strain 168)) Explore O06994 Go to UniProtKB: O06994 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O06994 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TRS Query on TRS | B | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C4 H12 N O3 LENZDBCJOHFCAS-UHFFFAOYSA-O |  | ||
| GOL Query on GOL | C [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CA Query on CA | D [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.145
- R-Value Work: 0.126
- R-Value Observed: 0.127
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 48.749 | α = 90 |
| b = 100.999 | β = 113.06 |
| c = 61.749 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XDS | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PHENIX | refinement |
| Coot | model building |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-03-09 Deposition Author(s): Hamill, C.J., Prentice, E.J., Bahl, C.D., Truebridge, I.S., Arcus, V.L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Marsden Fund | New Zealand | 16-UOW-027 |
Revision History (Full details and data files)
- Version 1.0: 2022-03-09
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description
