Research workbench
Crystal structure of staphylococcus aureus BLAR1 antibiotic-sensor domain in complex with avibactam
Analyse Crystal structure of staphylococcus aureus BLAR1 antibiotic-sensor domain in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6O9W
- Type
- protein
- Length
- 472 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regulatory protein BLAR1
- UniProt
- P18357
- Ligands
- NXL
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Regulatory protein BLAR1 | protein | 227 | 38% helix, 27% strand | P18357 |
| B | Regulatory protein BLAR1 | protein | 245 | 36% helix, 24% strand | P18357 |
Ligands and binding sites
- NXL · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.78 | 0.84 | 67 | NXL |
| 2 | 91 | 0.40 | 0.77 | 14 | empty |
| 3 | 76 | 0.34 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1077 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6O9W · Crystal structure of Staphylococcus aureus BlaR1 antibiotic-sensor domain in complex with… · the same entry in another collection · chain B against B, TM-score 1.00
- P18357 · AlphaFold monomer V2.0 prediction for regulatory protein BLAR1 (P18357) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P18357
- Elsewhere: RCSB PDB 6O9W · PDBe 6O9W · UniProt P18357
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