Download MendeleyMechanistic and structural insight to an evolved benzoylformate decarboxylase with enhanced activity towards pyruvate
Andrews, F.H., Rogers, M.R., Wechsler, C., Meyer, D., Tittmann, K., McLeish, M.J.To be published.
4MZX
Crystal Structure of Benzoylformate Decarboxylase Mutant T377L/A460Y
- PDB DOI: https://doi.org/10.2210/pdb4MZX/pdb
- Classification: LYASE
- Organism(s): Pseudomonas putida
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2013-09-30 Released: 2015-04-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.56 Å
- R-Value Free: 0.150
- R-Value Work: 0.117
- R-Value Observed: 0.118
Starting Model: experimental
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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 |
| Benzoylformate decarboxlyase | 536 | Pseudomonas putida | Mutation(s): 2 Gene Names: mdlC EC: 4.1.1.7 |  | |
UniProt | |||||
Find proteins for P20906 (Pseudomonas putida) Explore P20906 Go to UniProtKB: P20906 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P20906 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TZD Query on TZD | E [auth A] | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN
DIPHOSPHATE C12 H18 N4 O8 P2 S ZGJUYGIRPQSCFA-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | C [auth A], D [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CA Query on CA | B [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| NA Query on NA | F [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.56 Å
- R-Value Free: 0.150
- R-Value Work: 0.117
- R-Value Observed: 0.118
- Space Group: I 2 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 80.984 | α = 90 |
| b = 95.559 | β = 90 |
| c = 137.17 | γ = 90 |
| Software Name | Purpose |
|---|---|
| Blu-Ice | data collection |
| PHENIX | model building |
| PHENIX | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| PHENIX | phasing |
Entry History
Deposition Data
- Released Date: 2015-04-01 Deposition Author(s): Andrews, F.H., McLeish, M.J.
Revision History (Full details and data files)
- Version 1.0: 2015-04-01
Type: Initial release - Version 1.1: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
