Download MendeleyCrystal structure of BA2930 in complex with AcCoA and uracil
Klimecka, M.M., Chruszcz, M., Porebski, P.J., Cymborowski, M., Anderson, W., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)To be published.
3SLF
Crystal structure of BA2930 in complex with AcCoA and uracil
- PDB DOI: https://doi.org/10.2210/pdb3SLF/pdb
- Classification: TRANSFERASE
- Organism(s): Bacillus anthracis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2011-06-24 Released: 2011-07-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 Å
- R-Value Free: 0.245
- R-Value Work: 0.190
- R-Value Observed: 0.192
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 |
| Aminoglycoside N3-acetyltransferase | 268 | Bacillus anthracis | Mutation(s): 0 Gene Names: aacC7, BA_2930, GBAA2930, GBAA_2930 EC: 2.3.1.81 |  | |
UniProt | |||||
Find proteins for A0A3P1UCA6 (Bacillus anthracis) Explore A0A3P1UCA6 Go to UniProtKB: A0A3P1UCA6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A3P1UCA6 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ACO Query on ACO | F [auth A], H [auth B] | ACETYL COENZYME *A C23 H38 N7 O17 P3 S ZSLZBFCDCINBPY-ZSJPKINUSA-N |  | ||
| URA Query on URA | G [auth A], I [auth B] | URACIL C4 H4 N2 O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N |  | ||
| CL Query on CL | C [auth A], D [auth A], E [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| 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: 2.05 Å
- R-Value Free: 0.245
- R-Value Work: 0.190
- R-Value Observed: 0.192
- Space Group: P 21 21 21
- Diffraction Data: https://doi.org/10.18430/M3N88M
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 36.716 | α = 90 |
| b = 109.996 | β = 90 |
| c = 133.072 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MD2 | data collection |
| HKL-3000 | phasing |
| MOLREP | phasing |
| REFMAC | refinement |
| Coot | model building |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2011-07-20 Deposition Author(s): Klimecka, M.M., Chruszcz, M., Porebski, P.J., Cymborowski, M., Anderson, W., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2011-07-20
Type: Initial release - Version 1.1: 2022-04-13
Changes: Database references, Derived calculations, Structure summary - Version 1.2: 2023-09-13
Changes: Data collection, Refinement description - Version 1.3: 2023-12-06
Changes: Data collection
