Download MendeleyPhosphorylation of an active site threonine in the benzyolformate decarboxylase mutant S26T by phosphonate inactivation
Andrews, F.H., McLeish, M.J.To be published.
4MPJ
Phosphorylation of an active site threonine in the benzyolformate decarboxylase mutant S26T by phosphonate inactivation
- PDB DOI: https://doi.org/10.2210/pdb4MPJ/pdb
- Classification: LYASE
- Organism(s): Pseudomonas putida
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2013-09-12 Released: 2015-03-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.142
- R-Value Work: 0.118
- R-Value Observed: 0.119
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 decarboxylase | 536 | Pseudomonas putida | Mutation(s): 1 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 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TPP Query on TPP | E [auth A] | THIAMINE DIPHOSPHATE C12 H19 N4 O7 P2 S AYEKOFBPNLCAJY-UHFFFAOYSA-O |  | ||
| GOL Query on GOL | F [auth A], G [auth A], H [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CA Query on CA | B [auth A], D [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| CL Query on CL | I [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| MG Query on MG | C [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| TPO Query on TPO | A | L-PEPTIDE LINKING | C4 H10 N O6 P |  | THR |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.142
- R-Value Work: 0.118
- R-Value Observed: 0.119
- Space Group: I 2 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 81.254 | ¦Á = 90 |
| b = 95.343 | ¦Â = 90 |
| c = 137.114 | ¦Ă = 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: 2015-03-18 Deposition Author(s): Andrews, F.H., McLeish, M.J.
Revision History (Full details and data files)
- Version 1.0: 2015-03-18
Type: Initial release - Version 1.1: 2024-11-06
Changes: Data collection, Database references, Derived calculations, Structure summary
