Download MendeleyStaphylococcus aureus SirA specificity for staphyloferrin B is driven by localized conformational change
Grigg, J.C., Cheung, J., Heinrichs, D.E., Murphy, M.E.To be published.
3MWF
Crystal structure of Staphylococcus aureus SirA complexed with staphyloferrin B
- PDB DOI: https://doi.org/10.2210/pdb3MWF/pdb
- Classification: TRANSPORT PROTEIN
- Organism(s): Staphylococcus aureus subsp. aureus N315
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-05-05 Released: 2010-09-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.206
- R-Value Work: 0.182
- R-Value Observed: 0.183
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 |
| Iron-regulated ABC transporter siderophore-binding protein SirA | 298 | Staphylococcus aureus subsp. aureus N315 | Mutation(s): 0 Gene Names: SA0111, sirA |  | |
UniProt | |||||
Find proteins for A0A0H3JJC6 (Staphylococcus aureus (strain N315)) Explore A0A0H3JJC6 Go to UniProtKB: A0A0H3JJC6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A0H3JJC6 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SE8 Query on SE8 | C [auth A] | 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid C16 H24 N4 O11 SIAZVTIHOHTZDD-PWJLMRLQSA-N |  | ||
| FE Query on FE | B [auth A] | FE (III) ION Fe VTLYFUHAOXGGBS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.206
- R-Value Work: 0.182
- R-Value Observed: 0.183
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.719 | α = 90 |
| b = 71.588 | β = 90 |
| c = 72.568 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
Entry History
Deposition Data
- Released Date: 2010-09-01 Deposition Author(s): Grigg, J.C., Murphy, M.E.P.
Revision History (Full details and data files)
- Version 1.0: 2010-09-01
Type: Initial release - Version 1.1: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 1.2: 2017-11-08
Changes: Refinement description - Version 1.3: 2024-02-21
Changes: Data collection, Database references, Derived calculations
