Download MendeleyCrystal structure of Thiamine-monophosphate kinase (Mfla_0573) from METHYLOBACILLUS FLAGELLATUS KT at 1.91 A resolution
Joint Center for Structural Genomics (JCSG)To be published.
3MCQ
Crystal structure of Thiamine-monophosphate kinase (Mfla_0573) from METHYLOBACILLUS FLAGELLATUS KT at 1.91 A resolution
- PDB DOI: https://doi.org/10.2210/pdb3MCQ/pdb
- Classification: TRANSFERASE
- Organism(s): Methylobacillus flagellatus KT
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2010-03-29 Released: 2010-05-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.91 Å
- R-Value Free: 0.228
- R-Value Work: 0.197
- R-Value Observed: 0.198
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 | 319 | Methylobacillus flagellatus KT | Mutation(s): 0 Gene Names: Mfla_0573 EC: 2.7.4.16 |  | |
UniProt | |||||
Find proteins for Q1H3U4 (Methylobacillus flagellatus (strain KT / ATCC 51484 / DSM 6875)) Explore Q1H3U4 Go to UniProtKB: Q1H3U4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q1H3U4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 1PE Query on 1PE | K [auth A] | PENTAETHYLENE GLYCOL C10 H22 O6 JLFNLZLINWHATN-UHFFFAOYSA-N |  | ||
| PG4 Query on PG4 | J [auth A] | TETRAETHYLENE GLYCOL C8 H18 O5 UWHCKJMYHZGTIT-UHFFFAOYSA-N |  | ||
| PGE Query on PGE | H [auth A], I [auth A] | TRIETHYLENE GLYCOL C6 H14 O4 ZIBGPFATKBEMQZ-UHFFFAOYSA-N |  | ||
| PEG Query on PEG | D [auth A], E [auth A], F [auth A], G [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| NA Query on NA | B [auth A], C [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.91 Å
- R-Value Free: 0.228
- R-Value Work: 0.197
- R-Value Observed: 0.198
- Space Group: P 31 2 1
- Diffraction Data: https://doi.org/10.18430/M33MCQ
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 59.225 | α = 90 |
| b = 59.225 | β = 90 |
| c = 159.766 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PHENIX | refinement |
| SHELX | phasing |
| MolProbity | model building |
| XSCALE | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| SHELXD | phasing |
| autoSHARP | phasing |
Entry History
Deposition Data
- Released Date: 2010-05-19 Deposition Author(s): Joint Center for Structural Genomics (JCSG)
Revision History (Full details and data files)
- Version 1.0: 2010-05-19
Type: Initial release - Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance - Version 1.2: 2017-10-25
Changes: Author supporting evidence, Refinement description - Version 1.3: 2019-07-17
Changes: Data collection, Derived calculations, Refinement description - Version 1.4: 2023-02-01
Changes: Database references, Derived calculations
