Download MendeleyThe X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
Cuypers, M.G., Gullett, J.M., Subramanian, C., White, S.W., Rock, C.O.To be published.
6NR1
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
- PDB DOI: https://doi.org/10.2210/pdb6NR1/pdb
- Classification: TRANSFERASE
- Organism(s): Streptococcus pneumoniae
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2019-01-22 Released: 2019-08-21
- Funding Organization(s): National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.241
- R-Value Work: 0.184
- R-Value Observed: 0.187
Starting Model: experimental
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This is version 1.2 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 |  | |
UniProt | |||||
Find proteins for Q8DPT4 (Streptococcus pneumoniae (strain ATCC BAA-255 / R6)) Explore Q8DPT4 Go to UniProtKB: Q8DPT4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8DPT4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| VCA Query on VCA | C [auth A], G [auth B] | VACCENIC ACID C18 H34 O2 UWHZIFQPPBDJPM-FPLPWBNLSA-N |  | ||
| GOL Query on GOL | D [auth A], E [auth A], F [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.241
- R-Value Work: 0.184
- R-Value Observed: 0.187
- Space Group: P 21 21 21
- Diffraction Data: https://doi.org/10.18430/m36nr1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 59.655 | α = 90 |
| b = 103.409 | β = 90 |
| c = 107.925 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-08-21 Deposition Author(s): Cuypers, M.G., Gullett, J.M., 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: 2019-08-21
Type: Initial release - Version 1.1: 2019-12-18
Changes: Author supporting evidence - Version 1.2: 2023-10-11
Changes: Data collection, Database references, Refinement description
