Download MendeleyThe X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein (SPR1019) loaded with cis-oleic acid to 1.9 Angstrom resolution
Cuypers, M.G., Subramanian, C., White, S.W., Rock, C.O.To be published.
6DJ6
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with cis-oleic acid to 1.9 Angstrom resolution
- PDB DOI: https://doi.org/10.2210/pdb6DJ6/pdb
- Classification: TRANSFERASE
- Organism(s): Streptococcus pneumoniae
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-05-24 Released: 2019-05-29
- Funding Organization(s): National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.227
- R-Value Work: 0.171
- R-Value Observed: 0.173
Starting Model: in silico
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This is version 1.3 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 |
| Fatty Acid Kinase (Fak) B2 protein (SPR1019) | 313 | Streptococcus pneumoniae | Mutation(s): 0 Gene Names: SPR1019 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| OLA Query on OLA | G [auth A], J [auth B] | OLEIC ACID C18 H34 O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N |  | ||
| GOL Query on GOL | C [auth A], D [auth A], E [auth A], F [auth A], I [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| NA Query on NA | H [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.227
- R-Value Work: 0.171
- R-Value Observed: 0.173
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 59.72 | α = 90 |
| b = 103.851 | β = 90 |
| c = 108.174 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-05-29 Deposition Author(s): Cuypers, M.G., Subramanian, C., White, S.W., Rock, C.O.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI) | United States | -- |
Revision History (Full details and data files)
- Version 1.0: 2019-05-29
Type: Initial release - Version 1.1: 2019-12-18
Changes: Author supporting evidence - Version 1.2: 2024-03-13
Changes: Advisory, Data collection, Database references - Version 1.3: 2024-04-03
Changes: Refinement description
