Download MendeleyCrystal Structure of PTE mutant H254Q/H257F
Kim, J., Raushel, F.M., Almo, S.C.To be published.
2OQL
Structure of Phosphotriesterase mutant H254Q/H257F
- PDB DOI: https://doi.org/10.2210/pdb2OQL/pdb
- Classification: HYDROLASE
- Organism(s): Brevundimonas diminuta
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2007-01-31 Released: 2008-02-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.189
- R-Value Work: 0.146
- R-Value Observed: 0.148
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| Parathion hydrolase | 331 | Brevundimonas diminuta | Mutation(s): 2 Gene Names: opd EC: 3.1.8.1 |  | |
UniProt | |||||
Find proteins for P0A434 (Brevundimonas diminuta) Explore P0A434 Go to UniProtKB: P0A434 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A434 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| BTB Query on BTB | E [auth A], I [auth B] | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C8 H19 N O5 OWMVSZAMULFTJU-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | F [auth A], J [auth B], K [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | C [auth A], D [auth A], G [auth B], H [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| KCX Query on KCX | A, B | L-PEPTIDE LINKING | C7 H14 N2 O4 |  | LYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.189
- R-Value Work: 0.146
- R-Value Observed: 0.148
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.528 | α = 104.75 |
| b = 45.367 | β = 93.13 |
| c = 79.113 | γ = 97.97 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2008-02-19 Deposition Author(s): Kim, J., Tsai, P., Raushel, F.M., Almo, S.C.
Revision History (Full details and data files)
- Version 1.0: 2008-02-19
Type: Initial release - Version 1.1: 2011-07-13
Changes: Derived calculations, Version format compliance - Version 1.2: 2017-10-18
Changes: Refinement description - Version 1.3: 2021-10-20
Changes: Database references, Derived calculations - Version 1.4: 2023-12-27
Changes: Data collection
