Download MendeleyCrystal Structure of Thiamine Monophosphate Kinase (Thil) from Aquifex Aeolicus
Eswaramoorthy, S., Swaminathan, S.To be published.
1VQV
Crystal Structure of Thiamine Monophosphate Kinase (thil) from Aquifex Aeolicus
- PDB DOI: https://doi.org/10.2210/pdb1VQV/pdb
- Entry: 1VQV supersedes: 1YAW
- Classification: TRANSFERASE
- Organism(s): Aquifex aeolicus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2005-01-05 Released: 2005-01-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.260
- R-Value Work: 0.238
- R-Value Observed: 0.238
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| thiamine monophosphate kinase | 306 | Aquifex aeolicus | Mutation(s): 5 EC: 2.7.4.16 |  | |
UniProt | |||||
Find proteins for O67883 (Aquifex aeolicus (strain VF5)) Explore O67883 Go to UniProtKB: O67883 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O67883 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PO4 Query on PO4 | C [auth A], D [auth A], E [auth B], F [auth B] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.260
- R-Value Work: 0.238
- R-Value Observed: 0.238
- Space Group: P 43
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 65.58 | α = 90 |
| b = 65.58 | β = 90 |
| c = 192.06 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CBASS | data collection |
| HKL-2000 | data reduction |
| SOLVE | phasing |
| CNS | refinement |
| HKL-2000 | data scaling |
| SHARP | phasing |
Entry History
Deposition Data
- Released Date: 2005-01-11 Deposition Author(s): Eswaramoorthy, S., Swaminathan, S., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
- This entry supersedes: 1YAW
Revision History (Full details and data files)
- Version 1.0: 2005-01-11
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2021-02-03
Changes: Database references, Derived calculations, Structure summary - Version 1.4: 2023-12-27
Changes: Advisory, Data collection, Database references
